*HEADER    STRUCTURAL PROTEIN                      06-JUL-11   2LFN              
*TITLE     IDENTIFICATION OF THE KEY REGIONS THAT DRIVE FUNCTIONAL AMYLOID       
*TITLE    2 FORMATION BY THE FUNGAL HYDROPHOBIN EAS                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HYDROPHOBIN;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: BLUE LIGHT-INDUCED PROTEIN 7, CLOCK-CONTROLLED GENE PROTEIN 
*COMPND   5 2, RODLET PROTEIN;                                                   
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: NEUROSPORA CRASSA;                              
*SOURCE   3 ORGANISM_TAXID: 367110;                                              
*SOURCE   4 STRAIN: ATCC 24698 / 74-OR23-1A / CBS 708.71 / DSM 1257 / FGSC 987;  
*SOURCE   5 GENE: BLI-7, CCG-2, EAS, NCU08457;                                   
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PHUE                                       
*KEYWDS    SURFACE ACTIVE PROTEIN, PROTEIN SELF-ASSEMBLY, HYDROPHOBIN, FUNGAL    
*KEYWDS   2 PROTEIN, STRUCTURAL PROTEIN                                          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    I.MACINDOE, A.H.KWAN, V.K.MORRIS, J.P.MACKAY, M.SUNDE                 
*REVDAT   1   25-JAN-12 2LFN    0                                                


!   9 J= 4.4
assign (resid    8 and name C ) (resid    9 and name N )
       (resid    9 and name CA) (resid    9 and name C )  1.00  -60.00   40.00   2

!   13 J= 3.5
assign (resid    12 and name C ) (resid    13 and name N )
       (resid    13 and name CA) (resid    13 and name C )  1.00  -60.00   40.00   2

!   33 J= 4.1
assign (resid    32 and name C ) (resid    33 and name N )
       (resid    33 and name CA) (resid    33 and name C )  1.00  -60.00   40.00   2

!   2 J= 9.9
assign (resid    1 and name C ) (resid    2 and name N )
       (resid    2 and name CA) (resid    2 and name C )  1.00  -120.00   40.00   2

!   4 J= 9.0
assign (resid    3 and name C ) (resid    4 and name N )
       (resid    4 and name CA) (resid    4 and name C )  1.00  -120.00   40.00   2

!   8 J= 9.1
assign (resid    7 and name C ) (resid    8 and name N )
       (resid    8 and name CA) (resid    8 and name C )  1.00  -120.00   40.00   2

!   12 J= 9.2
assign (resid    11 and name C ) (resid    12 and name N )
       (resid    12 and name CA) (resid    12 and name C )  1.00  -120.00   40.00   2

!   15 J= 9.8
assign (resid    14 and name C ) (resid    15 and name N )
       (resid    15 and name CA) (resid    15 and name C )  1.00  -120.00   40.00   2

!   16 J= 10.1
assign (resid    15 and name C ) (resid    16 and name N )
       (resid    16 and name CA) (resid    16 and name C )  1.00  -120.00   40.00   2

!   18 J= 9.3
assign (resid    17 and name C ) (resid    18 and name N )
       (resid    18 and name CA) (resid    18 and name C )  1.00  -120.00   40.00   2

!   23 J= 9.3
assign (resid    22 and name C ) (resid    23 and name N )
       (resid    23 and name CA) (resid    23 and name C )  1.00  -120.00   40.00   2

!   27 J= 8.2
assign (resid    26 and name C ) (resid    27 and name N )
       (resid    27 and name CA) (resid    27 and name C )  1.00  -120.00   40.00   2

!   29 J= 9.6
assign (resid    28 and name C ) (resid    29 and name N )
       (resid    29 and name CA) (resid    29 and name C )  1.00  -120.00   40.00   2

!   31 J= 9.8
assign (resid    30 and name C ) (resid    31 and name N )
       (resid    31 and name CA) (resid    31 and name C )  1.00  -120.00   40.00   2

!   32 J= 10.0
assign (resid    31 and name C ) (resid    32 and name N )
       (resid    32 and name CA) (resid    32 and name C )  1.00  -120.00   40.00   2

!   35 J= 8.2
assign (resid    34 and name C ) (resid    35 and name N )
       (resid    35 and name CA) (resid    35 and name C )  1.00  -120.00   40.00   2

!   39 J= 8.8
assign (resid    38 and name C ) (resid    39 and name N )
       (resid    39 and name CA) (resid    39 and name C )  1.00  -120.00   40.00   2

!   42 J= 10.4
assign (resid    41 and name C ) (resid    42 and name N )
       (resid    42 and name CA) (resid    42 and name C )  1.00  -120.00   40.00   2

!   44 J= 8.5
assign (resid    43 and name C ) (resid    44 and name N )
       (resid    44 and name CA) (resid    44 and name C )  1.00  -120.00   40.00   2

!   45 J= 10.1
assign (resid    44 and name C ) (resid    45 and name N )
       (resid    45 and name CA) (resid    45 and name C )  1.00  -120.00   40.00   2

!   47 J= 9.9
assign (resid    46 and name C ) (resid    47 and name N )
       (resid    47 and name CA) (resid    47 and name C )  1.00  -120.00   40.00   2

!   57 J= 8.9
assign (resid    56 and name C ) (resid    57 and name N )
       (resid    57 and name CA) (resid    57 and name C )  1.00  -120.00   40.00   2

!   60 J= 10.0
assign (resid    59 and name C ) (resid    60 and name N )
       (resid    60 and name CA) (resid    60 and name C )  1.00  -120.00   40.00   2

!   65 J= 8.6
assign (resid    64 and name C ) (resid    65 and name N )
       (resid    65 and name CA) (resid    65 and name C )  1.00  -120.00   40.00   2

!   66 J= 11.2
assign (resid    65 and name C ) (resid    66 and name N )
       (resid    66 and name CA) (resid    66 and name C )  1.00  -120.00   40.00   2


! using information about b-strands

 ASSI { 1188}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.600     1.900     1.900 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.24570E-02 ppm1      4.652 ppm2      9.835 CV     1
 OR { 1188}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 1195}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.900     1.300     1.300 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.61759E-02 ppm1      9.480 ppm2      9.011 CV     1
 OR { 1195}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 1196}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.400     1.800     1.800 peak  1196 spectrum    1 weight  0.10000E+01 volume  0.21033E-02 ppm1      9.842 ppm2      9.007 CV     1
 OR { 1196}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 1200}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.900     1.400     1.400 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.65105E-02 ppm1      8.900 ppm2      8.582 CV     1
 OR { 1200}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 1203}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 16   and name HN  ))
      3.600     1.900     1.900 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.25240E-02 ppm1      6.876 ppm2      8.648 CV     1
 OR { 1203}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 1217}
   (( segid "    " and resid 56   and name HD21))
   (( segid "    " and resid 57   and name HN  ))
      4.100     2.400     1.900 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.94649E-03 ppm1      7.532 ppm2      8.207 CV     1
 OR { 1217}
   (( segid "    " and resid 53   and name HD21))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 1220}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      3.300     1.700     1.700 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.40823E-02 ppm1      8.638 ppm2      8.145 CV     1
 OR { 1220}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
 OR { 1220}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
 ASSI { 1228}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.300     1.000     1.000 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.19408E-01 ppm1      8.546 ppm2      7.561 CV     1
 OR { 1228}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
 ASSI { 1242}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 65   and name HD21))
      3.700     2.000     2.000 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.17591E-02 ppm1      0.664 ppm2      7.366 CV     1
 OR { 1242}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 62   and name HD21))
 ASSI { 1245}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 65   and name HD22))
      4.500     2.800     1.500 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.93024E-03 ppm1      0.664 ppm2      7.025 CV     1
 OR { 1245}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 62   and name HD22))
 ASSI { 1247}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 15   and name HD% )
      3.300     1.600     1.600 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.53346E-02 ppm1      2.737 ppm2      6.880 CV     1
 OR { 1247}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 15   and name HD% )
 OR { 1247}
   (( segid "    " and resid 13   and name HB3 ))
   (  segid "    " and resid 15   and name HD% )
 ASSI { 1251}
   (( segid "    " and resid 66   and name HB3 ))
   (  segid "    " and resid 15   and name HE% )
      6.000     4.800     0.000 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.955 ppm2      6.669 CV     1
 OR { 1251}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 15   and name HE% )
 OR { 1251}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 15   and name HE% )
 OR { 1251}
   (( segid "    " and resid 14   and name HB3 ))
   (  segid "    " and resid 15   and name HE% )
 ASSI { 1252}
   (( segid "    " and resid 10   and name HB3 ))
   (  segid "    " and resid 15   and name HD% )
      3.600     2.000     2.000 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.21607E-02 ppm1      2.961 ppm2      6.879 CV     1
 OR { 1252}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 15   and name HD% )
 ASSI { 1258}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 18   and name HD% )
      3.300     1.700     1.700 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.28490E-02 ppm1      8.641 ppm2      6.729 CV     1
 OR { 1258}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 18   and name HD% )
 ASSI { 1259}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 18   and name HE% )
      3.000     1.400     1.400 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.45221E-02 ppm1      8.653 ppm2      6.523 CV     1
 OR { 1259}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 18   and name HE% )
 ASSI { 1272}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
      3.300     1.700     1.700 peak  1272 spectrum    1 weight  0.10000E+01 volume  0.29829E-02 ppm1      4.651 ppm2      5.358 CV     1
 OR { 1272}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI { 1287}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      3.400     1.700     1.700 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.22276E-02 ppm1      8.540 ppm2      4.252 CV     1
 OR { 1287}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI { 1288}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.900     1.300     1.300 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.49523E-02 ppm1      8.734 ppm2      4.247 CV     1
 OR { 1288}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI { 1292}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.400     1.000     1.000 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.13384E-01 ppm1      8.629 ppm2      3.366 CV     1
 OR { 1292}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1293}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.200     1.500     1.500 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.32506E-02 ppm1      8.658 ppm2      3.852 CV     1
 OR { 1293}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB  ))
 ASSI { 1301}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA1 ))
      2.700     1.200     1.200 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.88434E-02 ppm1      8.142 ppm2      3.922 CV     1
 OR { 1301}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI { 1314}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 33   and name HA  ))
      2.900     1.400     1.400 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.54016E-02 ppm1      4.654 ppm2      3.366 CV     1
 OR { 1314}
   (( segid "    " and resid 6    and name HA2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1321}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 36   and name HA  ))
      3.000     1.400     1.400 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.73614E-02 ppm1      1.960 ppm2      3.355 CV     1
 OR { 1321}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 33   and name HA  ))
 OR { 1321}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1332}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 35   and name HA  ))
      3.200     1.600     1.600 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.36330E-02 ppm1      0.632 ppm2      3.914 CV     1
 OR { 1332}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 38   and name HB3 ))
 ASSI { 1336}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name HB2 ))
      2.700     1.200     1.200 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.10803E-01 ppm1      0.832 ppm2      2.558 CV     1
 OR { 1336}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 1345}
   (  segid "    " and resid 33   and name HG1%)
   (( segid "    " and resid 32   and name HB  ))
      3.100     1.500     1.500 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.27534E-02 ppm1      0.751 ppm2      2.170 CV     1
 OR { 1345}
   (  segid "    " and resid 33   and name HG1%)
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 1346}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 20   and name HB2 ))
      2.500     1.100     1.100 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.10899E-01 ppm1      1.183 ppm2      2.703 CV     1
 OR { 1346}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 20   and name HB2 ))
 ASSI { 1347}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 39   and name HG2 ))
      3.800     2.100     2.100 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.19121E-02 ppm1      1.221 ppm2      2.159 CV     1
 OR { 1347}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 1352}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 20   and name HB2 ))
      4.000     2.300     2.000 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.63383E-03 ppm1      3.689 ppm2      2.703 CV     1
 OR { 1352}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 20   and name HB2 ))
 OR { 1352}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI { 1353}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 10   and name HB3 ))
      3.800     2.100     2.100 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.33079E-02 ppm1      3.767 ppm2      2.938 CV     1
 OR { 1353}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HB3 ))
 OR { 1353}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
 ASSI { 1369}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.500     1.100     1.100 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.93405E-02 ppm1      9.844 ppm2      2.705 CV     1
 OR { 1369}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
 ASSI { 1373}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB  ))
      2.900     1.300     1.300 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.63769E-02 ppm1      8.806 ppm2      1.408 CV     1
 OR { 1373}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG12))
 ASSI { 1378}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB  ))
      2.500     1.100     1.100 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.14532E-01 ppm1      8.636 ppm2      1.829 CV     1
 OR { 1378}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB  ))
 ASSI { 1382}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 54   and name HG2%)
      3.800     2.100     2.100 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.21416E-02 ppm1      8.366 ppm2      1.116 CV     1
 OR { 1382}
   (( segid "    " and resid 53   and name HN  ))
   (  segid "    " and resid 52   and name HG2%)
 ASSI { 1385}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 32   and name HG1%)
      4.300     2.600     1.700 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.16635E-02 ppm1      9.001 ppm2      0.890 CV     1
 OR { 1385}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
 ASSI { 1388}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HG1%)
      3.200     1.600     1.600 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.68070E-02 ppm1      8.631 ppm2      0.741 CV     1
 OR { 1388}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG12))
 ASSI { 1409}
   (( segid "    " and resid 46   and name HB3 ))
   (  segid "    " and resid 67   and name HG1%)
      2.900     1.300     1.300 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.81169E-02 ppm1      2.865 ppm2      0.649 CV     1
 OR { 1409}
   (( segid "    " and resid 66   and name HB2 ))
   (  segid "    " and resid 67   and name HG1%)
 ASSI { 1416}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HG2%)
      2.700     1.200     1.200 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.95603E-02 ppm1      8.636 ppm2      0.901 CV     1
 OR { 1416}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HG1%)
 ASSI { 1424}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
      2.900     1.300     1.300 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.98472E-02 ppm1      8.544 ppm2      1.999 CV     1
 OR { 1424}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB3 ))
 OR { 1424}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
 ASSI { 1425}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
      2.600     1.200     1.200 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.13002E-01 ppm1      8.544 ppm2      3.788 CV     1
 OR { 1425}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 OR { 1425}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB3 ))
 OR { 1425}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 OR { 1425}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI { 1427}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.200     1.600     1.600 peak  1427 spectrum    1 weight  0.10000E+01 volume  0.25526E-02 ppm1      7.790 ppm2      3.922 CV     1
 OR { 1427}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 38   and name HB3 ))
 ASSI { 1445}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.500     1.100     1.100 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.91780E-02 ppm1      8.546 ppm2      2.594 CV     1
 OR { 1445}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI { 1446}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      4.000     2.300     2.000 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.23232E-02 ppm1      8.660 ppm2      2.389 CV     1
 OR { 1446}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
 ASSI { 1449}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
      2.600     1.100     1.100 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.10421E-01 ppm1      9.006 ppm2      2.708 CV     1
 OR { 1449}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
 OR { 1449}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI { 1452}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 15   and name HB2 ))
      3.000     1.400     1.400 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.16635E-01 ppm1      2.735 ppm2      2.390 CV     1
 OR { 1452}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 15   and name HB2 ))
 ASSI { 1461}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 36   and name HA  ))
      6.000     4.800     0.000 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.606 ppm2      3.357 CV     1
 OR { 1461}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 33   and name HA  ))
 ASSI { 1471}
   (  segid "    " and resid 33   and name HG1%)
   (( segid "    " and resid 35   and name HN  ))
      4.200     2.500     1.800 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.11759E-02 ppm1      0.739 ppm2      7.785 CV     1
 OR { 1471}
   (( segid "    " and resid 36   and name HG12))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1474}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.800     0.000 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.798 ppm2      9.473 CV     1
 OR { 1474}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1475}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 18   and name HN  ))
      4.400     2.800     1.600 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.10039E-02 ppm1      1.207 ppm2      9.469 CV     1
 OR { 1475}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1480}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 37   and name HN  ))
      3.900     2.200     2.100 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.28873E-02 ppm1      3.943 ppm2      9.037 CV     1
 OR { 1480}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
 ASSI { 1485}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
      3.900     2.200     2.100 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.88627E-03 ppm1      2.830 ppm2      8.581 CV     1
 OR { 1485}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 1487}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.800     0.000 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.376 ppm2      8.489 CV     1
 OR { 1487}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 1492}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 15   and name HD% )
      5.000     3.500     1.000 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.61952E-03 ppm1      4.369 ppm2      6.879 CV     1
 OR { 1492}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 15   and name HD% )
 ASSI { 1493}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 15   and name HE% )
      6.000     4.800     0.000 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.367 ppm2      6.669 CV     1
 OR { 1493}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 15   and name HE% )
 ASSI { 1494}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 18   and name HE% )
      3.600     1.900     1.900 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.60901E-03 ppm1      4.021 ppm2      6.524 CV     1
 OR { 1494}
   (( segid "    " and resid 58   and name HA2 ))
   (  segid "    " and resid 18   and name HE% )
 ASSI { 1495}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 18   and name HE% )
      6.000     4.800     0.000 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.582 ppm2      6.526 CV     1
 OR { 1495}
   (( segid "    " and resid 30   and name HA2 ))
   (  segid "    " and resid 18   and name HE% )
 ASSI { 1512}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HB3 ))
      4.800     3.200     1.200 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.10708E-02 ppm1      4.485 ppm2      1.848 CV     1
 OR { 1512}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 35   and name HB  ))
 OR { 1512}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI { 1515}
   (( segid "    " and resid 6    and name HA1 ))
   (( segid "    " and resid 36   and name HA  ))
      3.300     1.600     1.600 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.31454E-02 ppm1      3.929 ppm2      3.356 CV     1
 OR { 1515}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1516}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.700     2.000     2.000 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.15010E-02 ppm1      3.764 ppm2      2.863 CV     1
 OR { 1516}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 8    and name HB3 ))
 ASSI { 1518}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      4.700     3.000     1.300 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.63673E-03 ppm1      4.024 ppm2      2.564 CV     1
 OR { 1518}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
 ASSI { 1522}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB3 ))
      4.100     2.400     1.900 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.14532E-02 ppm1      7.977 ppm2      2.966 CV     1
 OR { 1522}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 10   and name HB3 ))
 ASSI { 1529}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 33   and name HA  ))
      5.000     3.400     1.000 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.42544E-03 ppm1      2.170 ppm2      3.366 CV     1
 OR { 1529}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 33   and name HA  ))
 ASSI { 1533}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 35   and name HA  ))
      4.700     3.000     1.300 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.12238E-02 ppm1      1.735 ppm2      3.923 CV     1
 OR { 1533}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 6    and name HA1 ))
 ASSI { 1535}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 18   and name HB3 ))
      4.600     2.900     1.400 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.12620E-03 ppm1     -0.020 ppm2      2.699 CV     1
 OR { 1535}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 20   and name HB2 ))
 ASSI { 1542}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
      4.200     2.500     1.800 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.17974E-02 ppm1      0.993 ppm2      5.670 CV     1
 OR { 1542}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 1550}
   (( segid "    " and resid 36   and name HG12))
   (( segid "    " and resid 35   and name HA  ))
      4.200     2.500     1.800 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.13480E-02 ppm1      0.756 ppm2      3.921 CV     1
 OR { 1550}
   (  segid "    " and resid 33   and name HG1%)
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 1554}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 43   and name HB2 ))
      4.100     2.400     1.900 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.79732E-03 ppm1      2.706 ppm2      3.686 CV     1
 OR { 1554}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 43   and name HB3 ))
 OR { 1554}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 43   and name HB2 ))
 OR { 1554}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 43   and name HB3 ))
 ASSI { 1556}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      4.100     2.400     1.900 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.11951E-02 ppm1      2.598 ppm2      3.759 CV     1
 OR { 1556}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 1558}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 11   and name HB2 ))
      4.500     2.800     1.500 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.78397E-03 ppm1      2.945 ppm2      3.765 CV     1
 OR { 1558}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 63   and name HA  ))
 ASSI { 1560}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HE% )
      6.000     4.800     0.000 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.660 ppm2      6.669 CV     1
 OR { 1560}
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 15   and name HE% )
 ASSI { 1565}
   (( segid "    " and resid 17   and name HG3 ))
   (  segid "    " and resid 33   and name HG1%)
      6.000     4.800     0.000 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.617 ppm2      0.758 CV     1
 OR { 1565}
   (( segid "    " and resid 16   and name HG3 ))
   (  segid "    " and resid 33   and name HG1%)
 OR { 1565}
   (( segid "    " and resid 17   and name HG3 ))
   (  segid "    " and resid 44   and name HG1%)
 ASSI { 1574}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.800     0.000 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.832 ppm2      9.003 CV     1
 OR { 1574}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
 OR { 1574}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 1583}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 59   and name HG  ))
      6.000     4.800     0.000 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.019 ppm2      1.469 CV     1
 OR { 1583}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 29   and name HG  ))
 ASSI { 1585}
   (  segid "    " and resid 51   and name HG2%)
   (  segid "    " and resid 61   and name HD1%)
      6.000     4.800     0.000 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.812 ppm2     -0.026 CV     1
 OR { 1585}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 61   and name HD1%)
 OR { 1585}
   (  segid "    " and resid 67   and name HG2%)
   (  segid "    " and resid 61   and name HD1%)
 ASSI { 1589}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      6.000     4.800     0.000 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.364 ppm2      4.202 CV     1
 OR { 1589}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 1591}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 40   and name HB2 ))
      6.000     4.800     0.000 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.378 ppm2      2.562 CV     1
 OR { 1591}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR { 1591}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR { 1591}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR { 1591}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 49   and name HB2 ))
 OR { 1591}
   (( segid "    " and resid 48   and name HD3 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR { 1591}
   (( segid "    " and resid 48   and name HD2 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR { 1591}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI { 1592}
   (( segid "    " and resid 5    and name HG13))
   (( segid "    " and resid 40   and name HB2 ))
      4.000     2.300     2.000 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.16444E-02 ppm1      1.019 ppm2      2.562 CV     1
 OR { 1592}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 47   and name HB2 ))
 OR { 1592}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 49   and name HB2 ))
 ASSI { 1594}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 47   and name HB2 ))
      3.200     1.600     1.600 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.41588E-02 ppm1      6.530 ppm2      2.564 CV     1
 OR { 1594}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 18   and name HB2 ))
 ASSI { 1599}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 49   and name HB3 ))
      6.000     4.800     0.000 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.526 ppm2      2.744 CV     1
 OR { 1599}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 46   and name HB2 ))
 OR { 1599}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 34   and name HA1 ))
 ASSI { 1601}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 46   and name HB2 ))
      6.000     4.800     0.000 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.731 ppm2      2.744 CV     1
 OR { 1601}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 34   and name HA1 ))
 OR { 1601}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 19   and name HB2 ))
 ASSI { 1619}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.800     0.000 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.709 ppm2      5.659 CV     1
 OR { 1619}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 31   and name HA  ))
 OR { 1619}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 1625}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 34   and name HA1 ))
      6.000     4.800     0.000 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.609 ppm2      2.727 CV     1
 OR { 1625}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 19   and name HB2 ))
 ASSI { 1636}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 51   and name HG2%)
      6.000     4.800     0.000 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.019 ppm2      0.815 CV     1
 OR { 1636}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 51   and name HG1%)
 OR { 1636}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 67   and name HG2%)
 ASSI { 1645}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 16   and name HG3 ))
      6.000     4.800     0.000 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.733 ppm2      1.624 CV     1
 OR { 1645}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 17   and name HG3 ))
 ASSI { 1685}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 59   and name HB3 ))
      3.100     1.500     1.500 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.37477E-02 ppm1      2.638 ppm2      1.400 CV     1
 OR { 1685}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 59   and name HB2 ))
 OR { 1685}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 61   and name HB  ))
 ASSI { 1690}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.800     0.000 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.598 ppm2      0.698 CV     1
 OR { 1690}
   (( segid "    " and resid 28   and name HB2 ))
   (  segid "    " and resid 29   and name HD1%)
 ASSI { 1691}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.800     0.000 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.636 ppm2      0.698 CV     1
 OR { 1691}
   (( segid "    " and resid 28   and name HB3 ))
   (  segid "    " and resid 29   and name HD1%)
 ASSI { 1710}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.800     0.000 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.627 ppm2      1.411 CV     1
 OR { 1710}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 48   and name HB3 ))
 OR { 1710}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 61   and name HB  ))
 OR { 1710}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 48   and name HD2 ))
 ASSI { 1712}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HG12))
      6.000     4.800     0.000 peak  1712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.620 ppm2      1.375 CV     1
 OR { 1712}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI { 1717}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG13))
      6.000     4.800     0.000 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.629 ppm2      0.981 CV     1
 OR { 1717}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
 ASSI { 1719}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      6.000     4.800     0.000 peak  1719 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.629 ppm2      0.597 CV     1
 OR { 1719}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG12))
 ASSI { 1727}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HG13))
      3.500     1.800     1.800 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.33940E-02 ppm1      4.623 ppm2      1.029 CV     1
 OR { 1727}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 48   and name HG3 ))
 ASSI { 1742}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      6.000     4.800     0.000 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.661 ppm2      2.706 CV     1
 OR { 1742}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
 ASSI { 1779}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 19   and name HB3 ))
      4.800     3.100     1.200 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.53635E-03 ppm1      0.599 ppm2      3.005 CV     1
 OR { 1779}
   (( segid "    " and resid 61   and name HG12))
   (( segid "    " and resid 47   and name HB3 ))
 ASSI { 1786}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.800     0.000 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.005 ppm2      2.633 CV     1
 OR { 1786}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HE2 ))
 ASSI { 1811}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 28   and name HB2 ))
      6.000     4.800     0.000 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.704 ppm2      3.589 CV     1
 OR { 1811}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 28   and name HB2 ))
 OR { 1811}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 28   and name HB2 ))
 ASSI { 1825}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      6.000     4.800     0.000 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.358 ppm2      4.333 CV     1
 OR { 1825}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
 ASSI { 1827}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      6.000     4.800     0.000 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.559 ppm2      3.758 CV     1
 OR { 1827}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 1836}
   (( segid "    " and resid 61   and name HG13))
   (( segid "    " and resid 59   and name HN  ))
      3.300     1.700     1.700 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.88434E-03 ppm1      0.990 ppm2      8.460 CV     1
 OR { 1836}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
 ASSI { 1842}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 18   and name HB2 ))
      4.100     2.400     1.900 peak  1842 spectrum    1 weight  0.10000E+01 volume  0.99431E-03 ppm1      0.747 ppm2      2.562 CV     1
 OR { 1842}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 40   and name HB2 ))
 ASSI { 1843}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 31   and name HB2 ))
      3.100     1.500     1.500 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.43596E-02 ppm1      0.708 ppm2      2.625 CV     1
 OR { 1843}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 1848}
   (  segid "    " and resid 67   and name HG1%)
   (( segid "    " and resid 46   and name HB3 ))
      6.000     4.800     0.000 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.657 ppm2      2.859 CV     1
 OR { 1848}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 66   and name HB2 ))
 ASSI { 1855}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.800     0.000 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.405 ppm2      2.632 CV     1
 OR { 1855}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 1856}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 34   and name HA1 ))
      6.000     4.800     0.000 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.625 ppm2      2.731 CV     1
 OR { 1856}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 49   and name HB3 ))
 OR { 1856}
   (( segid "    " and resid 45   and name HD3 ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 1871}
   (( segid "    " and resid 34   and name HA1 ))
   (( segid "    " and resid 17   and name HG2 ))
      3.800     2.100     2.100 peak  1871 spectrum    1 weight  0.10000E+01 volume  0.20555E-02 ppm1      2.732 ppm2      2.174 CV     1
 OR { 1871}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 32   and name HB  ))
 ASSI { 1891}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 38   and name HB3 ))
      6.000     5.700     0.000 peak  1891 spectrum    1 weight  0.10000E+01 volume  0.10612E-03 ppm1      1.954 ppm2      3.925 CV     1
 OR { 1891}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 6    and name HA1 ))
 OR { 1891}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 6    and name HA1 ))
 OR { 1891}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 9    and name HB  ))
 ASSI { 1895}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      4.200     2.600     1.800 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.92069E-03 ppm1      5.498 ppm2      2.577 CV     1
 OR { 1895}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI { 1898}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
      3.600     1.900     1.900 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.32028E-02 ppm1      4.724 ppm2      0.822 CV     1
 OR { 1898}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 51   and name HG2%)
 ASSI { 1908}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 47   and name HA  ))
      6.000     4.800     0.000 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.525 ppm2      5.676 CV     1
 OR { 1908}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 1909}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      6.000     4.800     0.000 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.562 ppm2      5.357 CV     1
 OR { 1909}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
 ASSI {    1}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.000     1.500     1.500 peak     1 spectrum    1 weight  0.10000E+01 volume  0.40632E-02 ppm1      5.599 ppm2      9.837 CV     1
 ASSI {    2}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.100     1.500     1.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.27630E-02 ppm1      5.676 ppm2      9.511 CV     1
 ASSI {    4}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.100     1.500     1.500 peak     4 spectrum    1 weight  0.10000E+01 volume  0.62429E-02 ppm1      4.346 ppm2      9.033 CV     1
 ASSI {    5}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      3.200     1.600     1.600 peak     5 spectrum    1 weight  0.10000E+01 volume  0.28490E-02 ppm1      4.153 ppm2      8.800 CV     1
 ASSI {    6}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.800     0.000 peak     6 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.250 ppm2      8.743 CV     1
 ASSI {    7}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.800     0.000 peak     7 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.373 ppm2      8.640 CV     1
 ASSI {    8}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.800     0.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.819 ppm2      9.016 CV     1
 ASSI {    9}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.700     1.200     1.200 peak     9 spectrum    1 weight  0.10000E+01 volume  0.74954E-02 ppm1      4.987 ppm2      8.971 CV     1
 ASSI {   10}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.800     0.000 peak    10 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.793 ppm2      8.657 CV     1
 ASSI {   11}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.800     0.000 peak    11 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.615 ppm2      8.658 CV     1
 ASSI {   12}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     4.800     0.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.562 ppm2      8.617 CV     1
 ASSI {   13}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.600     1.100     1.100 peak    13 spectrum    1 weight  0.10000E+01 volume  0.10708E-01 ppm1      4.255 ppm2      8.533 CV     1
 ASSI {   14}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      3.000     1.400     1.400 peak    14 spectrum    1 weight  0.10000E+01 volume  0.40058E-02 ppm1      4.822 ppm2      8.427 CV     1
 ASSI {   15}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.800     0.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.458 ppm2      8.530 CV     1
 ASSI {   16}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.800     0.000 peak    16 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.568 ppm2      8.374 CV     1
 ASSI {   17}
   (( segid "    " and resid 41   and name HA2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.600     1.200     1.200 peak    17 spectrum    1 weight  0.10000E+01 volume  0.86139E-02 ppm1      4.324 ppm2      9.376 CV     1
 ASSI {   18}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.000     1.400     1.400 peak    18 spectrum    1 weight  0.10000E+01 volume  0.38338E-02 ppm1      5.495 ppm2      8.942 CV     1
 ASSI {   19}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.800     0.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.661 ppm2      8.784 CV     1
 ASSI {   20}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.900     1.300     1.300 peak    20 spectrum    1 weight  0.10000E+01 volume  0.57555E-02 ppm1      4.848 ppm2      8.147 CV     1
 ASSI {   21}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     1.300     1.300 peak    21 spectrum    1 weight  0.10000E+01 volume  0.75909E-02 ppm1      4.575 ppm2      7.871 CV     1
 ASSI {   22}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.800     0.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.795 ppm2      8.193 CV     1
 ASSI {   23}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.800     0.000 peak    23 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.495 ppm2      8.151 CV     1
 ASSI {   24}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.800     0.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.485 ppm2      8.200 CV     1
 ASSI {   25}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.900     1.400     1.400 peak    25 spectrum    1 weight  0.10000E+01 volume  0.49523E-02 ppm1      4.198 ppm2      7.788 CV     1
 ASSI {   26}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.700     1.200     1.200 peak    26 spectrum    1 weight  0.10000E+01 volume  0.69314E-02 ppm1      3.928 ppm2      7.782 CV     1
 ASSI {   27}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.800     0.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.212 ppm2      8.352 CV     1
 ASSI {   28}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.800     0.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.212 ppm2      8.386 CV     1
 ASSI {   30}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.800     0.000 peak    30 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.323 ppm2      8.194 CV     1
 ASSI {   31}
   (( segid "    " and resid 34   and name HA2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.500     1.100     1.100 peak    31 spectrum    1 weight  0.10000E+01 volume  0.77533E-02 ppm1      4.047 ppm2      8.087 CV     1
 ASSI {   32}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.800     0.000 peak    32 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.390 ppm2      8.144 CV     1
 ASSI {   33}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.800     0.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.439 ppm2      8.489 CV     1
 ASSI {   34}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.800     0.000 peak    34 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.486 ppm2      8.460 CV     1
 ASSI {   35}
   (( segid "    " and resid 25   and name HA2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.900     1.400     1.400 peak    35 spectrum    1 weight  0.10000E+01 volume  0.73807E-02 ppm1      4.028 ppm2      8.726 CV     1
 ASSI {   36}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.800     0.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.362 ppm2      8.692 CV     1
 ASSI {   37}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.800     0.000 peak    37 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.846 ppm2      8.538 CV     1
 ASSI {   38}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.800     0.000 peak    38 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.899 ppm2      8.554 CV     1
 ASSI {   39}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.800     0.000 peak    39 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.775 ppm2      8.364 CV     1
 ASSI {   40}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      2.800     1.300     1.300 peak    40 spectrum    1 weight  0.10000E+01 volume  0.67973E-02 ppm1      5.359 ppm2      9.005 CV     1
 ASSI {   42}
   (( segid "    " and resid 41   and name HA1 ))
   (( segid "    " and resid 41   and name HN  ))
      2.500     1.100     1.100 peak    42 spectrum    1 weight  0.10000E+01 volume  0.16348E-01 ppm1      3.672 ppm2      9.373 CV     1
 ASSI {   43}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.800     0.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.369 ppm2      8.635 CV     1
 ASSI {   44}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      6.000     4.800     0.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.745 ppm2      8.324 CV     1
 ASSI {   45}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      3.500     1.800     1.800 peak    45 spectrum    1 weight  0.10000E+01 volume  0.45699E-02 ppm1      2.830 ppm2      9.837 CV     1
 ASSI {   46}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.800     0.000 peak    46 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.711 ppm2      9.836 CV     1
 ASSI {   47}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 20   and name HB2 ))
      6.000     4.800     0.000 peak    47 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.835 ppm2      2.719 CV     1
 ASSI {   49}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      6.000     4.800     0.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.596 ppm2      2.846 CV     1
 ASSI {   51}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     4.800     0.000 peak    51 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.572 ppm2      9.512 CV     1
 ASSI {   52}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HB2 ))
      6.000     4.800     0.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.992 ppm2      2.562 CV     1
 ASSI {   53}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.800     1.300     1.300 peak    53 spectrum    1 weight  0.10000E+01 volume  0.80691E-02 ppm1      5.677 ppm2      2.559 CV     1
 ASSI {   55}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.900     1.300     1.300 peak    55 spectrum    1 weight  0.10000E+01 volume  0.50671E-02 ppm1      4.653 ppm2      9.472 CV     1
 ASSI {   56}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.800     0.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.707 ppm2      9.476 CV     1
 ASSI {   58}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 18   and name HB2 ))
      6.000     4.800     0.000 peak    58 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.716 ppm2      2.567 CV     1
 ASSI {   59}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.900     2.200     2.100 peak    59 spectrum    1 weight  0.10000E+01 volume  0.12142E-02 ppm1      4.651 ppm2      2.565 CV     1
 ASSI {   60}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB3 ))
      6.000     4.800     0.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.653 ppm2      2.708 CV     1
 ASSI {   61}
   (( segid "    " and resid 41   and name HA2 ))
   (( segid "    " and resid 41   and name HA1 ))
      2.400     1.000     1.000 peak    61 spectrum    1 weight  0.10000E+01 volume  0.61952E-02 ppm1      4.325 ppm2      3.667 CV     1
 ASSI {   62}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 37   and name HA1 ))
      1.700     0.600     0.600 peak    62 spectrum    1 weight  0.10000E+01 volume  0.54397E-01 ppm1      4.346 ppm2      3.524 CV     1
 ASSI {   63}
   (( segid "    " and resid 61   and name HG12))
   (  segid "    " and resid 61   and name HD1%)
      6.000     4.800     0.000 peak    63 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.600 ppm2     -0.024 CV     1
 ASSI {   64}
   (( segid "    " and resid 61   and name HG13))
   (  segid "    " and resid 61   and name HD1%)
      2.400     1.000     1.000 peak    64 spectrum    1 weight  0.10000E+01 volume  0.13863E-01 ppm1      0.979 ppm2     -0.025 CV     1
 ASSI {   65}
   (( segid "    " and resid 61   and name HB  ))
   (  segid "    " and resid 61   and name HD1%)
      2.600     1.100     1.100 peak    65 spectrum    1 weight  0.10000E+01 volume  0.11281E-01 ppm1      1.413 ppm2     -0.025 CV     1
 ASSI {   67}
   (( segid "    " and resid 61   and name HB  ))
   (  segid "    " and resid 61   and name HG2%)
      6.000     4.800     0.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.414 ppm2      0.658 CV     1
 ASSI {   68}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 61   and name HG13))
      6.000     4.800     0.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.415 ppm2      0.977 CV     1
 ASSI {   69}
   (( segid "    " and resid 61   and name HG13))
   (  segid "    " and resid 61   and name HG2%)
      6.000     4.800     0.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.979 ppm2      0.658 CV     1
 ASSI {   70}
   (( segid "    " and resid 61   and name HG13))
   (( segid "    " and resid 61   and name HG12))
      6.000     4.800     0.000 peak    70 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.983 ppm2      0.591 CV     1
 ASSI {   71}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 61   and name HG12))
      6.000     4.800     0.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.415 ppm2      0.594 CV     1
 ASSI {   72}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 61   and name HG12))
      6.000     4.800     0.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.665 ppm2      0.594 CV     1
 ASSI {   74}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG12))
      6.000     4.800     0.000 peak    74 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.155 ppm2      0.594 CV     1
 ASSI {   76}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HG13))
      3.300     1.700     1.700 peak    76 spectrum    1 weight  0.10000E+01 volume  0.28108E-02 ppm1      4.153 ppm2      0.976 CV     1
 ASSI {   77}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB  ))
      2.800     1.300     1.300 peak    77 spectrum    1 weight  0.10000E+01 volume  0.66252E-02 ppm1      4.153 ppm2      1.411 CV     1
 ASSI {   78}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HN  ))
      4.200     2.500     1.800 peak    78 spectrum    1 weight  0.10000E+01 volume  0.14627E-02 ppm1     -0.023 ppm2      8.799 CV     1
 ASSI {   79}
   (( segid "    " and resid 61   and name HG12))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.800     0.000 peak    79 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.602 ppm2      8.803 CV     1
 ASSI {   80}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.800     0.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.665 ppm2      8.802 CV     1
 ASSI {   81}
   (( segid "    " and resid 61   and name HG13))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.800     0.000 peak    81 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.981 ppm2      8.803 CV     1
 ASSI {   82}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.800     0.000 peak    82 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.414 ppm2      8.800 CV     1
 ASSI {   83}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.600     1.900     1.900 peak    83 spectrum    1 weight  0.10000E+01 volume  0.16922E-02 ppm1      3.852 ppm2      7.870 CV     1
 ASSI {   84}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 26   and name HN  ))
      3.300     1.700     1.700 peak    84 spectrum    1 weight  0.10000E+01 volume  0.30020E-02 ppm1      3.698 ppm2      7.869 CV     1
 ASSI {   85}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB3 ))
      3.100     1.500     1.500 peak    85 spectrum    1 weight  0.10000E+01 volume  0.40154E-02 ppm1      4.575 ppm2      3.692 CV     1
 ASSI {   86}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      6.000     4.800     0.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.575 ppm2      3.848 CV     1
 ASSI {   87}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HB3 ))
      2.000     0.800     0.800 peak    87 spectrum    1 weight  0.10000E+01 volume  0.15488E-01 ppm1      3.851 ppm2      3.690 CV     1
 ASSI {   89}
   (  segid "    " and resid 67   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.800     0.000 peak    89 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.800 ppm2      8.742 CV     1
 ASSI {   92}
   (  segid "    " and resid 67   and name HG2%)
   (( segid "    " and resid 67   and name HA  ))
      6.000     4.800     0.000 peak    92 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.799 ppm2      4.243 CV     1
 ASSI {   93}
   (( segid "    " and resid 67   and name HB  ))
   (( segid "    " and resid 67   and name HA  ))
      3.400     1.800     1.800 peak    93 spectrum    1 weight  0.10000E+01 volume  0.18930E-02 ppm1      2.058 ppm2      4.243 CV     1
 ASSI {   95}
   (  segid "    " and resid 67   and name HG2%)
   (( segid "    " and resid 67   and name HB  ))
      6.000     4.800     0.000 peak    95 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.799 ppm2      2.056 CV     1
 ASSI {   96}
   (  segid "    " and resid 67   and name HG1%)
   (  segid "    " and resid 67   and name HG2%)
      6.000     4.800     0.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.652 ppm2      0.797 CV     1
 ASSI {   97}
   (( segid "    " and resid 34   and name HA1 ))
   (( segid "    " and resid 34   and name HN  ))
      2.700     1.200     1.200 peak    97 spectrum    1 weight  0.10000E+01 volume  0.10612E-01 ppm1      2.741 ppm2      8.087 CV     1
 ASSI {   98}
   (( segid "    " and resid 34   and name HA2 ))
   (( segid "    " and resid 34   and name HA1 ))
      1.500     0.600     0.700 peak    98 spectrum    1 weight  0.10000E+01 volume  0.62622E-01 ppm1      4.048 ppm2      2.737 CV     1
 ASSI {   99}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB2 ))
      6.000     4.800     0.000 peak    99 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.481 ppm2      3.877 CV     1
 OR {   99}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 57   and name HB3 ))
 ASSI {  100}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 57   and name HN  ))
      2.800     1.300     1.300 peak   100 spectrum    1 weight  0.10000E+01 volume  0.82697E-02 ppm1      3.873 ppm2      8.206 CV     1
 OR {  100}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI {  102}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB3 ))
      3.100     1.500     1.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.43309E-02 ppm1      5.356 ppm2      3.009 CV     1
 ASSI {  103}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.800     0.000 peak   103 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.009 ppm2      2.718 CV     1
 ASSI {  104}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      2.900     1.300     1.300 peak   104 spectrum    1 weight  0.10000E+01 volume  0.49906E-02 ppm1      5.627 ppm2      7.695 CV     1
 ASSI {  105}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.800     0.000 peak   105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.936 ppm2      2.875 CV     1
 ASSI {  106}
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB2 ))
      6.000     4.800     0.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.627 ppm2      2.873 CV     1
 ASSI {  108}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.900     1.300     1.300 peak   108 spectrum    1 weight  0.10000E+01 volume  0.49045E-02 ppm1      4.126 ppm2      7.393 CV     1
 ASSI {  109}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.900     1.300     1.300 peak   109 spectrum    1 weight  0.10000E+01 volume  0.58316E-02 ppm1      3.759 ppm2      7.558 CV     1
 ASSI {  110}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB  ))
      6.000     4.800     0.000 peak   110 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.128 ppm2      1.266 CV     1
 ASSI {  111}
   (( segid "    " and resid 12   and name HG12))
   (  segid "    " and resid 12   and name HD1%)
      6.000     4.800     0.000 peak   111 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.850 ppm2      0.454 CV     1
 ASSI {  112}
   (( segid "    " and resid 12   and name HG13))
   (  segid "    " and resid 12   and name HD1%)
      6.000     4.800     0.000 peak   112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.240 ppm2      0.457 CV     1
 ASSI {  113}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.800     0.000 peak   113 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.238 ppm2      7.389 CV     1
 ASSI {  114}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.800     0.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.268 ppm2      7.391 CV     1
 ASSI {  115}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.800     0.000 peak   115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.799 ppm2      7.391 CV     1
 ASSI {  116}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 12   and name HN  ))
      4.400     2.800     1.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.96563E-03 ppm1      0.460 ppm2      7.390 CV     1
 ASSI {  117}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 12   and name HG12))
      6.000     4.800     0.000 peak   117 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.239 ppm2      0.846 CV     1
 ASSI {  118}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG12))
      6.000     4.800     0.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.126 ppm2      0.846 CV     1
 ASSI {  119}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HD1%)
      3.900     2.200     2.100 peak   119 spectrum    1 weight  0.10000E+01 volume  0.22849E-02 ppm1      4.129 ppm2      0.452 CV     1
 ASSI {  120}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB3 ))
      4.200     2.500     1.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.68740E-03 ppm1      4.254 ppm2      3.788 CV     1
 OR {  120}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI {  121}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.800     0.000 peak   121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.784 ppm2      8.530 CV     1
 OR {  121}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI {  122}
   (( segid "    " and resid 2    and name HA  ))
   (  segid "    " and resid 2    and name HB% )
      6.000     4.800     0.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.562 ppm2      1.221 CV     1
 ASSI {  124}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.800     0.000 peak   124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.724 ppm2      9.002 CV     1
 ASSI {  125}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.500     1.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.57651E-02 ppm1      3.009 ppm2      9.000 CV     1
 ASSI {  126}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.800     0.000 peak   126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.735 ppm2      8.939 CV     1
 ASSI {  127}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.800     0.000 peak   127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.866 ppm2      8.940 CV     1
 ASSI {  128}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 46   and name HB2 ))
      6.000     4.800     0.000 peak   128 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.874 ppm2      2.718 CV     1
 ASSI {  129}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
      3.300     1.600     1.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.32697E-02 ppm1      5.497 ppm2      2.731 CV     1
 ASSI {  130}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB3 ))
      3.400     1.700     1.700 peak   130 spectrum    1 weight  0.10000E+01 volume  0.16826E-02 ppm1      5.495 ppm2      2.861 CV     1
 ASSI {  131}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      2.800     1.300     1.300 peak   131 spectrum    1 weight  0.10000E+01 volume  0.74574E-02 ppm1      4.398 ppm2      1.125 CV     1
 ASSI {  132}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 35   and name HN  ))
      2.300     1.000     1.000 peak   132 spectrum    1 weight  0.10000E+01 volume  0.13767E-01 ppm1      1.834 ppm2      7.782 CV     1
 ASSI {  133}
   (  segid "    " and resid 35   and name HG1%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.800     0.000 peak   133 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.847 ppm2      7.783 CV     1
 ASSI {  134}
   (( segid "    " and resid 35   and name HB  ))
   (  segid "    " and resid 35   and name HG1%)
      6.000     4.800     0.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.835 ppm2      0.846 CV     1
 ASSI {  135}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB  ))
      2.800     1.300     1.300 peak   135 spectrum    1 weight  0.10000E+01 volume  0.76102E-02 ppm1      3.929 ppm2      1.835 CV     1
 ASSI {  136}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HG1%)
      6.000     4.800     0.000 peak   136 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.927 ppm2      0.841 CV     1
 ASSI {  137}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.100     1.500     1.500 peak   137 spectrum    1 weight  0.10000E+01 volume  0.35087E-02 ppm1      4.640 ppm2      7.968 CV     1
 ASSI {  139}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      2.700     1.200     1.200 peak   139 spectrum    1 weight  0.10000E+01 volume  0.40537E-02 ppm1      2.396 ppm2      7.968 CV     1
 ASSI {  140}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 15   and name HB2 ))
      1.500     0.600     0.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.53346E-01 ppm1      3.103 ppm2      2.391 CV     1
 ASSI {  141}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     4.800     0.000 peak   141 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.639 ppm2      2.393 CV     1
 ASSI {  142}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HB3 ))
      6.000     4.800     0.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.639 ppm2      3.097 CV     1
 ASSI {  143}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 2    and name HN  ))
      2.700     1.200     1.200 peak   143 spectrum    1 weight  0.10000E+01 volume  0.92927E-02 ppm1      1.227 ppm2      8.616 CV     1
 ASSI {  144}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.800     0.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.622 ppm2      8.900 CV     1
 ASSI {  145}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.100     1.500     1.500 peak   145 spectrum    1 weight  0.10000E+01 volume  0.47898E-02 ppm1      2.381 ppm2      8.898 CV     1
 OR {  145}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI {  146}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      3.900     2.200     2.100 peak   146 spectrum    1 weight  0.10000E+01 volume  0.21989E-02 ppm1      2.099 ppm2      8.898 CV     1
 ASSI {  148}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HB2 ))
      6.000     4.800     0.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.099 ppm2      1.995 CV     1
 ASSI {  153}
   (( segid "    " and resid 51   and name HB  ))
   (( segid "    " and resid 51   and name HN  ))
      2.900     1.300     1.300 peak   153 spectrum    1 weight  0.10000E+01 volume  0.74188E-02 ppm1      2.044 ppm2      7.789 CV     1
 ASSI {  155}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 9    and name HN  ))
      2.500     1.100     1.100 peak   155 spectrum    1 weight  0.10000E+01 volume  0.15106E-01 ppm1      3.915 ppm2      7.558 CV     1
 ASSI {  158}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.200     1.200 peak   158 spectrum    1 weight  0.10000E+01 volume  0.75239E-02 ppm1      1.216 ppm2      3.756 CV     1
 ASSI {  160}
   (( segid "    " and resid 9    and name HB  ))
   (  segid "    " and resid 9    and name HG2%)
      2.400     1.000     1.000 peak   160 spectrum    1 weight  0.10000E+01 volume  0.13098E-01 ppm1      3.915 ppm2      1.214 CV     1
 ASSI {  161}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      3.100     1.500     1.500 peak   161 spectrum    1 weight  0.10000E+01 volume  0.28968E-02 ppm1      2.639 ppm2      8.784 CV     1
 ASSI {  162}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.800     0.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.833 ppm2      8.784 CV     1
 ASSI {  163}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.800     0.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.835 ppm2      2.634 CV     1
 ASSI {  164}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.800     0.000 peak   164 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.660 ppm2      2.634 CV     1
 ASSI {  165}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB3 ))
      6.000     4.800     0.000 peak   165 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.662 ppm2      2.831 CV     1
 ASSI {  169}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HN  ))
      4.400     2.700     1.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.15488E-02 ppm1      2.151 ppm2      8.428 CV     1
 ASSI {  170}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HN  ))
      2.900     1.300     1.300 peak   170 spectrum    1 weight  0.10000E+01 volume  0.14532E-01 ppm1      1.869 ppm2      8.429 CV     1
 ASSI {  171}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.600     1.200     1.200 peak   171 spectrum    1 weight  0.10000E+01 volume  0.64247E-02 ppm1      1.705 ppm2      8.427 CV     1
 ASSI {  172}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HB2 ))
      1.600     0.600     0.600 peak   172 spectrum    1 weight  0.10000E+01 volume  0.48089E-01 ppm1      1.867 ppm2      1.698 CV     1
 ASSI {  173}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HB2 ))
      3.400     1.700     1.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.35661E-02 ppm1      2.155 ppm2      1.693 CV     1
 ASSI {  174}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.800     0.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.249 ppm2      1.695 CV     1
 ASSI {  175}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HB3 ))
      6.000     4.800     0.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.163 ppm2      1.864 CV     1
 ASSI {  176}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HB3 ))
      6.000     4.800     0.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.253 ppm2      1.864 CV     1
 ASSI {  177}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HG2 ))
      6.000     4.800     0.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.249 ppm2      2.150 CV     1
 ASSI {  178}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB2 ))
      6.000     4.800     0.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.823 ppm2      1.698 CV     1
 ASSI {  179}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HB3 ))
      2.700     1.200     1.200 peak   179 spectrum    1 weight  0.10000E+01 volume  0.72852E-02 ppm1      4.821 ppm2      1.867 CV     1
 ASSI {  180}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG2 ))
      3.200     1.600     1.600 peak   180 spectrum    1 weight  0.10000E+01 volume  0.22563E-02 ppm1      4.828 ppm2      2.150 CV     1
 ASSI {  181}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HG3 ))
      2.200     0.900     0.900 peak   181 spectrum    1 weight  0.10000E+01 volume  0.30880E-01 ppm1      4.828 ppm2      2.239 CV     1
 ASSI {  185}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HG3 ))
      3.200     1.600     1.600 peak   185 spectrum    1 weight  0.10000E+01 volume  0.49141E-02 ppm1      8.431 ppm2      2.236 CV     1
 ASSI {  186}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB3 ))
      2.100     0.800     0.800 peak   186 spectrum    1 weight  0.10000E+01 volume  0.26578E-01 ppm1      4.254 ppm2      2.292 CV     1
 ASSI {  187}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HD2 ))
      1.500     0.600     0.700 peak   187 spectrum    1 weight  0.10000E+01 volume  0.63003E-01 ppm1      3.685 ppm2      3.477 CV     1
 ASSI {  188}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HD3 ))
      6.000     4.800     0.000 peak   188 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.252 ppm2      3.683 CV     1
 ASSI {  189}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HD2 ))
      4.600     3.000     1.400 peak   189 spectrum    1 weight  0.10000E+01 volume  0.73426E-03 ppm1      4.254 ppm2      3.475 CV     1
 ASSI {  190}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HG2 ))
      2.600     1.100     1.100 peak   190 spectrum    1 weight  0.10000E+01 volume  0.77346E-02 ppm1      3.481 ppm2      1.977 CV     1
 OR {  190}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HG3 ))
 ASSI {  191}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HB3 ))
      3.800     2.100     2.100 peak   191 spectrum    1 weight  0.10000E+01 volume  0.14914E-02 ppm1      3.687 ppm2      2.293 CV     1
 ASSI {  194}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG2 ))
      6.000     4.800     0.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.257 ppm2      1.974 CV     1
 OR {  194}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG3 ))
 ASSI {  195}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HB2 ))
      6.000     4.800     0.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.484 ppm2      1.890 CV     1
 ASSI {  196}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 7    and name HB2 ))
      6.000     4.800     0.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.687 ppm2      1.895 CV     1
 ASSI {  197}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.100     1.500     1.500 peak   197 spectrum    1 weight  0.10000E+01 volume  0.58225E-02 ppm1      4.254 ppm2      1.893 CV     1
 ASSI {  198}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      4.100     2.500     1.900 peak   198 spectrum    1 weight  0.10000E+01 volume  0.17687E-02 ppm1      5.209 ppm2      2.171 CV     1
 ASSI {  200}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB3 ))
      6.000     4.800     0.000 peak   200 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.207 ppm2      1.888 CV     1
 ASSI {  201}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG3 ))
      3.300     1.700     1.700 peak   201 spectrum    1 weight  0.10000E+01 volume  0.77153E-02 ppm1      5.206 ppm2      1.610 CV     1
 ASSI {  203}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.800     0.000 peak   203 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.567 ppm2      1.942 CV     1
 ASSI {  207}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 17   and name HB3 ))
      6.000     4.800     0.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.647 ppm2      1.888 CV     1
 ASSI {  208}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.800     0.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.649 ppm2      1.941 CV     1
 ASSI {  209}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 17   and name HG2 ))
      3.000     1.400     1.400 peak   209 spectrum    1 weight  0.10000E+01 volume  0.89485E-02 ppm1      3.652 ppm2      2.167 CV     1
 ASSI {  210}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HD2 ))
      4.300     2.600     1.700 peak   210 spectrum    1 weight  0.10000E+01 volume  0.10229E-02 ppm1      5.206 ppm2      3.565 CV     1
 ASSI {  211}
   (( segid "    " and resid 6    and name HA2 ))
   (( segid "    " and resid 6    and name HA1 ))
      1.800     0.700     0.700 peak   211 spectrum    1 weight  0.10000E+01 volume  0.27725E-01 ppm1      4.649 ppm2      3.946 CV     1
 ASSI {  212}
   (( segid "    " and resid 6    and name HA2 ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.800     0.000 peak   212 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.646 ppm2      8.828 CV     1
 ASSI {  213}
   (( segid "    " and resid 6    and name HA1 ))
   (( segid "    " and resid 6    and name HN  ))
      2.600     1.200     1.200 peak   213 spectrum    1 weight  0.10000E+01 volume  0.91496E-02 ppm1      3.948 ppm2      8.828 CV     1
 ASSI {  214}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 30   and name HA1 ))
      6.000     4.800     0.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.595 ppm2      3.540 CV     1
 ASSI {  215}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.800     0.000 peak   215 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.595 ppm2      8.580 CV     1
 ASSI {  216}
   (( segid "    " and resid 30   and name HA1 ))
   (( segid "    " and resid 30   and name HN  ))
      2.700     1.200     1.200 peak   216 spectrum    1 weight  0.10000E+01 volume  0.11377E-01 ppm1      3.548 ppm2      8.580 CV     1
 ASSI {  217}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.800     0.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.650 ppm2      8.126 CV     1
 ASSI {  218}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.800     0.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.863 ppm2      8.489 CV     1
 ASSI {  219}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      2.900     1.400     1.400 peak   219 spectrum    1 weight  0.10000E+01 volume  0.57078E-02 ppm1      3.761 ppm2      8.486 CV     1
 ASSI {  220}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB3 ))
      6.000     4.800     0.000 peak   220 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.443 ppm2      3.857 CV     1
 ASSI {  221}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     4.800     0.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.443 ppm2      3.748 CV     1
 ASSI {  222}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 11   and name HB2 ))
      6.000     4.800     0.000 peak   222 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.860 ppm2      3.752 CV     1
 ASSI {  223}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.800     0.000 peak   223 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.364 ppm2      8.612 CV     1
 ASSI {  226}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HG1%)
      6.000     4.800     0.000 peak   226 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.372 ppm2      0.743 CV     1
 ASSI {  227}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.800     0.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.830 ppm2      8.633 CV     1
 ASSI {  228}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.800     0.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.910 ppm2      8.638 CV     1
 ASSI {  229}
   (  segid "    " and resid 33   and name HG1%)
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.800     0.000 peak   229 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.750 ppm2      8.640 CV     1
 ASSI {  230}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      6.000     4.800     0.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.652 ppm2      8.781 CV     1
 ASSI {  232}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HN  ))
      2.700     1.200     1.200 peak   232 spectrum    1 weight  0.10000E+01 volume  0.97517E-02 ppm1      0.836 ppm2      8.785 CV     1
 ASSI {  233}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 44   and name HN  ))
      6.000     4.800     0.000 peak   233 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.767 ppm2      8.784 CV     1
 ASSI {  236}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HG1%)
      6.000     4.800     0.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.651 ppm2      0.754 CV     1
 ASSI {  237}
   (( segid "    " and resid 44   and name HA  ))
   (  segid "    " and resid 44   and name HG2%)
      2.600     1.100     1.100 peak   237 spectrum    1 weight  0.10000E+01 volume  0.99431E-02 ppm1      4.651 ppm2      0.828 CV     1
 ASSI {  238}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HB  ))
      6.000     4.800     0.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.653 ppm2      1.970 CV     1
 ASSI {  239}
   (  segid "    " and resid 33   and name HG2%)
   (  segid "    " and resid 33   and name HG1%)
      6.000     4.800     0.000 peak   239 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.910 ppm2      0.744 CV     1
 ASSI {  240}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HG1%)
      2.500     1.100     1.100 peak   240 spectrum    1 weight  0.10000E+01 volume  0.10995E-01 ppm1      1.831 ppm2      0.746 CV     1
 ASSI {  241}
   (( segid "    " and resid 33   and name HB  ))
   (  segid "    " and resid 33   and name HG2%)
      6.000     4.800     0.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.831 ppm2      0.906 CV     1
 ASSI {  242}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HN  ))
      3.300     1.600     1.600 peak   242 spectrum    1 weight  0.10000E+01 volume  0.65201E-02 ppm1      3.151 ppm2      8.150 CV     1
 ASSI {  243}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.800     0.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.783 ppm2      8.150 CV     1
 ASSI {  244}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HB2 ))
      1.700     0.700     0.700 peak   244 spectrum    1 weight  0.10000E+01 volume  0.40058E-01 ppm1      3.150 ppm2      2.780 CV     1
 ASSI {  245}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB3 ))
      2.500     1.100     1.100 peak   245 spectrum    1 weight  0.10000E+01 volume  0.11472E-01 ppm1      4.850 ppm2      3.148 CV     1
 ASSI {  246}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HB2 ))
      6.000     4.800     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.850 ppm2      2.786 CV     1
 ASSI {  248}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.800     0.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.120 ppm2      8.194 CV     1
 ASSI {  249}
   (( segid "    " and resid 52   and name HB  ))
   (  segid "    " and resid 52   and name HG2%)
      2.800     1.300     1.300 peak   249 spectrum    1 weight  0.10000E+01 volume  0.71131E-02 ppm1      4.131 ppm2      1.110 CV     1
 ASSI {  250}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HG2%)
      6.000     4.800     0.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.318 ppm2      1.114 CV     1
 ASSI {  251}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB  ))
      6.000     4.800     0.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.325 ppm2      4.124 CV     1
 ASSI {  252}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.800     0.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.830 ppm2      8.634 CV     1
 ASSI {  253}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.800     0.000 peak   253 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.642 ppm2      8.636 CV     1
 ASSI {  254}
   (( segid "    " and resid 5    and name HG13))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.800     0.000 peak   254 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.037 ppm2      8.636 CV     1
 ASSI {  255}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      2.500     1.100     1.100 peak   255 spectrum    1 weight  0.10000E+01 volume  0.10229E-01 ppm1      1.958 ppm2      8.630 CV     1
 ASSI {  256}
   (( segid "    " and resid 5    and name HG13))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.800     0.000 peak   256 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.035 ppm2      0.634 CV     1
 ASSI {  257}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.800     0.000 peak   257 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.963 ppm2      0.634 CV     1
 ASSI {  258}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 5    and name HG13))
      2.600     1.100     1.100 peak   258 spectrum    1 weight  0.10000E+01 volume  0.70365E-02 ppm1      1.957 ppm2      1.033 CV     1
 ASSI {  259}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.800     0.000 peak   259 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.830 ppm2      0.632 CV     1
 ASSI {  261}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB  ))
      6.000     4.800     0.000 peak   261 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.833 ppm2      1.960 CV     1
 ASSI {  262}
   (  segid "    " and resid 44   and name HG2%)
   (  segid "    " and resid 44   and name HG1%)
      6.000     4.800     0.000 peak   262 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.839 ppm2      0.757 CV     1
 ASSI {  263}
   (  segid "    " and resid 68   and name HB% )
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.800     0.000 peak   263 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.359 ppm2      8.388 CV     1
 ASSI {  264}
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 68   and name HB% )
      2.700     1.200     1.200 peak   264 spectrum    1 weight  0.10000E+01 volume  0.83464E-02 ppm1      4.219 ppm2      1.355 CV     1
 ASSI {  266}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.100     1.500     1.500 peak   266 spectrum    1 weight  0.10000E+01 volume  0.37764E-02 ppm1      4.724 ppm2      8.394 CV     1
 ASSI {  267}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.800     0.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.758 ppm2      8.397 CV     1
 ASSI {  268}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.800     0.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.843 ppm2      8.397 CV     1
 ASSI {  269}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HB2 ))
      6.000     4.800     0.000 peak   269 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.843 ppm2      2.757 CV     1
 ASSI {  270}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
      6.000     4.800     0.000 peak   270 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.726 ppm2      2.756 CV     1
 ASSI {  271}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB3 ))
      6.000     4.800     0.000 peak   271 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.726 ppm2      2.843 CV     1
 ASSI {  274}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 40   and name HB2 ))
      6.000     4.800     0.000 peak   274 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.925 ppm2      2.559 CV     1
 ASSI {  275}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB3 ))
      2.800     1.300     1.300 peak   275 spectrum    1 weight  0.10000E+01 volume  0.84895E-02 ppm1      4.985 ppm2      2.925 CV     1
 ASSI {  276}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.400     1.700     1.700 peak   276 spectrum    1 weight  0.10000E+01 volume  0.21607E-02 ppm1      4.985 ppm2      2.559 CV     1
 ASSI {  278}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.500     1.100     1.100 peak   278 spectrum    1 weight  0.10000E+01 volume  0.16635E-01 ppm1      4.362 ppm2      2.744 CV     1
 OR {  278}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB3 ))
 ASSI {  279}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.800     0.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.958 ppm2      8.658 CV     1
 ASSI {  280}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.800     0.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.858 ppm2      8.660 CV     1
 ASSI {  281}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB  ))
      6.000     4.800     0.000 peak   281 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.615 ppm2      3.859 CV     1
 ASSI {  282}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HG2%)
      2.600     1.100     1.100 peak   282 spectrum    1 weight  0.10000E+01 volume  0.10134E-01 ppm1      4.615 ppm2      0.953 CV     1
 ASSI {  283}
   (( segid "    " and resid 4    and name HB  ))
   (  segid "    " and resid 4    and name HG2%)
      2.500     1.100     1.100 peak   283 spectrum    1 weight  0.10000E+01 volume  0.13958E-01 ppm1      3.858 ppm2      0.954 CV     1
 ASSI {  286}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB  ))
      2.900     1.300     1.300 peak   286 spectrum    1 weight  0.10000E+01 volume  0.52488E-02 ppm1      3.361 ppm2      1.728 CV     1
 ASSI {  287}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 36   and name HG12))
      6.000     4.800     0.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.807 ppm2      0.738 CV     1
 ASSI {  288}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.800     0.000 peak   288 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.630 ppm2      8.567 CV     1
 ASSI {  290}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.800     0.000 peak   290 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.009 ppm2      8.565 CV     1
 ASSI {  292}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HN  ))
      3.900     2.200     2.100 peak   292 spectrum    1 weight  0.10000E+01 volume  0.24475E-02 ppm1      2.957 ppm2      8.554 CV     1
 ASSI {  293}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      2.600     1.100     1.100 peak   293 spectrum    1 weight  0.10000E+01 volume  0.78970E-02 ppm1      4.896 ppm2      2.954 CV     1
 ASSI {  294}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.800     0.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.741 ppm2      8.654 CV     1
 OR {  294}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  296}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.800     0.000 peak   296 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.366 ppm2      8.655 CV     1
 ASSI {  297}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     4.800     0.000 peak   297 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.909 ppm2      1.746 CV     1
 OR {  297}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HB3 ))
 OR {  297}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HB2 ))
 OR {  297}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI {  299}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HD2 ))
      2.700     1.200     1.200 peak   299 spectrum    1 weight  0.10000E+01 volume  0.75624E-02 ppm1      2.907 ppm2      1.573 CV     1
 OR {  299}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  299}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  299}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HD2 ))
 ASSI {  301}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.800     0.000 peak   301 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.722 ppm2      8.361 CV     1
 ASSI {  302}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 32   and name HN  ))
      3.300     1.700     1.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.50960E-02 ppm1      2.182 ppm2      8.360 CV     1
 ASSI {  304}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 32   and name HN  ))
      2.900     1.300     1.300 peak   304 spectrum    1 weight  0.10000E+01 volume  0.10708E-01 ppm1      0.897 ppm2      8.361 CV     1
 ASSI {  305}
   (( segid "    " and resid 32   and name HB  ))
   (  segid "    " and resid 32   and name HG2%)
      2.200     0.900     0.900 peak   305 spectrum    1 weight  0.10000E+01 volume  0.21511E-01 ppm1      2.176 ppm2      0.980 CV     1
 ASSI {  306}
   (( segid "    " and resid 32   and name HB  ))
   (  segid "    " and resid 32   and name HG1%)
      2.300     0.900     0.900 peak   306 spectrum    1 weight  0.10000E+01 volume  0.20077E-01 ppm1      2.174 ppm2      0.889 CV     1
 ASSI {  307}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HG2%)
      3.900     2.200     2.100 peak   307 spectrum    1 weight  0.10000E+01 volume  0.19217E-02 ppm1      4.725 ppm2      0.980 CV     1
 ASSI {  308}
   (( segid "    " and resid 67   and name HB  ))
   (  segid "    " and resid 67   and name HG1%)
      2.900     1.300     1.300 peak   308 spectrum    1 weight  0.10000E+01 volume  0.47229E-02 ppm1      2.060 ppm2      0.640 CV     1
 ASSI {  309}
   (( segid "    " and resid 67   and name HA  ))
   (  segid "    " and resid 67   and name HG1%)
      3.400     1.700     1.700 peak   309 spectrum    1 weight  0.10000E+01 volume  0.24762E-02 ppm1      4.248 ppm2      0.645 CV     1
 ASSI {  311}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.800     0.000 peak   311 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.824 ppm2      8.363 CV     1
 ASSI {  312}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
      6.000     4.800     0.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.711 ppm2      8.364 CV     1
 ASSI {  313}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      3.500     1.900     1.900 peak   313 spectrum    1 weight  0.10000E+01 volume  0.41110E-02 ppm1      2.863 ppm2      8.536 CV     1
 ASSI {  314}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.800     0.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.782 ppm2      8.307 CV     1
 ASSI {  315}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.800     0.000 peak   315 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.701 ppm2      8.306 CV     1
 ASSI {  317}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.800     0.000 peak   317 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.594 ppm2      8.538 CV     1
 ASSI {  318}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      6.000     4.800     0.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.457 ppm2      3.791 CV     1
 OR {  318}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB3 ))
 ASSI {  319}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HB2 ))
      6.000     4.800     0.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.864 ppm2      2.590 CV     1
 ASSI {  320}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     4.800     0.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.421 ppm2      1.846 CV     1
 OR {  320}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  321}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     4.800     0.000 peak   321 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.632 ppm2      1.847 CV     1
 ASSI {  322}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      6.000     4.800     0.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.847 ppm2      2.592 CV     1
 ASSI {  323}
   (( segid "    " and resid 64   and name HA  ))
   (  segid "    " and resid 64   and name HB% )
      2.300     1.000     1.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.22563E-01 ppm1      4.207 ppm2      1.313 CV     1
 ASSI {  325}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.800     0.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.634 ppm2      1.352 CV     1
 ASSI {  326}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HG2 ))
      3.000     1.400     1.400 peak   326 spectrum    1 weight  0.10000E+01 volume  0.40728E-02 ppm1      1.741 ppm2      1.351 CV     1
 OR {  326}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI {  328}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      6.000     4.800     0.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.794 ppm2      1.746 CV     1
 OR {  328}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB3 ))
 ASSI {  329}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG3 ))
      6.000     4.800     0.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.792 ppm2      1.635 CV     1
 ASSI {  330}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HD3 ))
      6.000     4.800     0.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.794 ppm2      1.573 CV     1
 OR {  330}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HD2 ))
 ASSI {  331}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.800     0.000 peak   331 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.794 ppm2      1.354 CV     1
 ASSI {  332}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HE3 ))
      6.000     4.800     0.000 peak   332 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.798 ppm2      2.900 CV     1
 OR {  332}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HE2 ))
 ASSI {  333}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HG2 ))
      6.000     4.800     0.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.574 ppm2      1.354 CV     1
 OR {  333}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HG2 ))
 ASSI {  334}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HD3 ))
      6.000     4.800     0.000 peak   334 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.744 ppm2      1.576 CV     1
 OR {  334}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HD2 ))
 OR {  334}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HD3 ))
 OR {  334}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HD2 ))
 ASSI {  335}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG3 ))
      6.000     4.800     0.000 peak   335 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.743 ppm2      1.635 CV     1
 OR {  335}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 16   and name HG3 ))
 ASSI {  336}
   (( segid "    " and resid 16   and name HE2 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.800     0.000 peak   336 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.914 ppm2      8.657 CV     1
 OR {  336}
   (( segid "    " and resid 16   and name HE3 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  337}
   (( segid "    " and resid 48   and name HE2 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.800     0.000 peak   337 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.815 ppm2      8.226 CV     1
 ASSI {  338}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HE2 ))
      6.000     4.800     0.000 peak   338 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.022 ppm2      2.813 CV     1
 ASSI {  339}
   (  segid "    " and resid 64   and name HB% )
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.800     0.000 peak   339 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.321 ppm2      8.350 CV     1
 ASSI {  341}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.100     0.900     0.900 peak   341 spectrum    1 weight  0.10000E+01 volume  0.20650E-01 ppm1      3.369 ppm2      8.086 CV     1
 ASSI {  342}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 34   and name HN  ))
      4.500     2.800     1.500 peak   342 spectrum    1 weight  0.10000E+01 volume  0.77823E-03 ppm1      1.833 ppm2      8.087 CV     1
 ASSI {  343}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      3.900     2.200     2.100 peak   343 spectrum    1 weight  0.10000E+01 volume  0.20746E-02 ppm1      0.905 ppm2      8.086 CV     1
 ASSI {  344}
   (  segid "    " and resid 33   and name HG1%)
   (( segid "    " and resid 34   and name HN  ))
      2.900     1.400     1.400 peak   344 spectrum    1 weight  0.10000E+01 volume  0.67019E-02 ppm1      0.750 ppm2      8.087 CV     1
 ASSI {  345}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      5.500     4.000     0.500 peak   345 spectrum    1 weight  0.10000E+01 volume  0.51625E-03 ppm1      8.637 ppm2      8.087 CV     1
 ASSI {  346}
   (( segid "    " and resid 34   and name HA1 ))
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.800     0.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.737 ppm2      7.783 CV     1
 ASSI {  348}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.700     3.000     1.300 peak   348 spectrum    1 weight  0.10000E+01 volume  0.11281E-02 ppm1      7.785 ppm2      8.086 CV     1
 ASSI {  349}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG2 ))
      6.000     4.800     0.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.821 ppm2      1.178 CV     1
 ASSI {  350}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HD2 ))
      6.000     4.800     0.000 peak   350 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.821 ppm2      1.459 CV     1
 ASSI {  351}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HD3 ))
      6.000     4.800     0.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.821 ppm2      1.632 CV     1
 ASSI {  352}
   (( segid "    " and resid 45   and name HD2 ))
   (( segid "    " and resid 45   and name HD3 ))
      6.000     4.800     0.000 peak   352 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.465 ppm2      1.632 CV     1
 ASSI {  353}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.800     0.000 peak   353 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.783 ppm2      9.017 CV     1
 ASSI {  354}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      4.400     2.700     1.600 peak   354 spectrum    1 weight  0.10000E+01 volume  0.85185E-03 ppm1      8.943 ppm2      9.513 CV     1
 ASSI {  355}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB3 ))
      6.000     4.800     0.000 peak   355 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.846 ppm2      2.866 CV     1
 ASSI {  356}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.800     0.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.727 ppm2      8.374 CV     1
 ASSI {  357}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 49   and name HB2 ))
      6.000     4.800     0.000 peak   357 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.727 ppm2      2.569 CV     1
 ASSI {  358}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB3 ))
      6.000     4.800     0.000 peak   358 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.568 ppm2      2.726 CV     1
 ASSI {  359}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HB2 ))
      6.000     4.800     0.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.571 ppm2      2.569 CV     1
 ASSI {  360}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.300     1.000     1.000 peak   360 spectrum    1 weight  0.10000E+01 volume  0.19025E-01 ppm1      5.598 ppm2      8.898 CV     1
 ASSI {  361}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.800     0.000 peak   361 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.710 ppm2      8.898 CV     1
 ASSI {  362}
   (( segid "    " and resid 20   and name HB3 ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.800     0.000 peak   362 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.831 ppm2      8.900 CV     1
 ASSI {  363}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.800     0.000 peak   363 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.906 ppm2      8.528 CV     1
 ASSI {  364}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.800     0.000 peak   364 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.620 ppm2      8.530 CV     1
 ASSI {  366}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      6.000     4.800     0.000 peak   366 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.998 ppm2      8.530 CV     1
 ASSI {  367}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB3 ))
      6.000     4.800     0.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.632 ppm2      2.009 CV     1
 ASSI {  368}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 23   and name HB3 ))
      6.000     4.800     0.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.421 ppm2      2.008 CV     1
 OR {  368}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HB3 ))
 ASSI {  369}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 23   and name HB2 ))
      6.000     4.800     0.000 peak   369 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.009 ppm2      1.845 CV     1
 ASSI {  370}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.800     0.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.462 ppm2      8.566 CV     1
 ASSI {  371}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.800     0.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.776 ppm2      8.533 CV     1
 OR {  371}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  372}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.800     0.000 peak   372 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.652 ppm2      9.017 CV     1
 ASSI {  373}
   (( segid "    " and resid 44   and name HB  ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.800     0.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.969 ppm2      9.019 CV     1
 ASSI {  374}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.800     0.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.836 ppm2      9.017 CV     1
 ASSI {  377}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.800     0.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.820 ppm2      8.943 CV     1
 ASSI {  378}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     4.800     0.000 peak   378 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.736 ppm2      9.515 CV     1
 ASSI {  379}
   (( segid "    " and resid 46   and name HB3 ))
   (( segid "    " and resid 47   and name HN  ))
      4.000     2.300     2.000 peak   379 spectrum    1 weight  0.10000E+01 volume  0.17687E-02 ppm1      2.867 ppm2      9.515 CV     1
 ASSI {  380}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.200     0.900     0.900 peak   380 spectrum    1 weight  0.10000E+01 volume  0.21320E-01 ppm1      5.499 ppm2      9.513 CV     1
 ASSI {  381}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      2.300     0.900     0.900 peak   381 spectrum    1 weight  0.10000E+01 volume  0.16444E-01 ppm1      5.679 ppm2      8.224 CV     1
 ASSI {  382}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 48   and name HN  ))
      2.900     1.400     1.400 peak   382 spectrum    1 weight  0.10000E+01 volume  0.37764E-02 ppm1      2.983 ppm2      8.226 CV     1
 ASSI {  383}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 48   and name HN  ))
      3.300     1.600     1.600 peak   383 spectrum    1 weight  0.10000E+01 volume  0.74091E-02 ppm1      2.573 ppm2      8.224 CV     1
 ASSI {  384}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.200     0.900     0.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.24284E-01 ppm1      5.359 ppm2      9.838 CV     1
 ASSI {  385}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.300     1.700     1.700 peak   385 spectrum    1 weight  0.10000E+01 volume  0.26865E-02 ppm1      9.012 ppm2      9.834 CV     1
 ASSI {  386}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.800     0.000 peak   386 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.656 ppm2      9.002 CV     1
 ASSI {  387}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.800     0.000 peak   387 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.573 ppm2      9.005 CV     1
 ASSI {  388}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.200     1.600     1.600 peak   388 spectrum    1 weight  0.10000E+01 volume  0.55260E-02 ppm1      9.008 ppm2      9.472 CV     1
 ASSI {  389}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.800     0.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.596 ppm2      8.556 CV     1
 ASSI {  390}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      6.000     4.800     0.000 peak   390 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.901 ppm2      2.595 CV     1
 ASSI {  391}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 10   and name HB2 ))
      6.000     4.800     0.000 peak   391 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.959 ppm2      2.595 CV     1
 ASSI {  392}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     1.000     1.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.15010E-01 ppm1      4.898 ppm2      8.485 CV     1
 ASSI {  393}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
      3.200     1.600     1.600 peak   393 spectrum    1 weight  0.10000E+01 volume  0.23519E-02 ppm1      2.957 ppm2      8.485 CV     1
 ASSI {  394}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.800     0.000 peak   394 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.596 ppm2      8.487 CV     1
 ASSI {  395}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.800     0.000 peak   395 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.764 ppm2      7.388 CV     1
 ASSI {  396}
   (( segid "    " and resid 11   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.800     0.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.866 ppm2      7.388 CV     1
 ASSI {  397}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.400     1.400 peak   397 spectrum    1 weight  0.10000E+01 volume  0.44839E-02 ppm1      4.440 ppm2      7.390 CV     1
 ASSI {  398}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.500     1.100     1.100 peak   398 spectrum    1 weight  0.10000E+01 volume  0.96563E-02 ppm1      7.394 ppm2      8.486 CV     1
 ASSI {  399}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.800     0.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.850 ppm2      7.390 CV     1
 ASSI {  400}
   (  segid "    " and resid 12   and name HG2%)
   (  segid "    " and resid 12   and name HD1%)
      6.000     4.800     0.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.802 ppm2      0.456 CV     1
 ASSI {  401}
   (( segid "    " and resid 12   and name HB  ))
   (  segid "    " and resid 12   and name HD1%)
      6.000     4.800     0.000 peak   401 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.267 ppm2      0.456 CV     1
 ASSI {  402}
   (( segid "    " and resid 12   and name HG13))
   (  segid "    " and resid 12   and name HG2%)
      6.000     4.800     0.000 peak   402 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.241 ppm2      0.796 CV     1
 ASSI {  403}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 12   and name HG12))
      6.000     4.800     0.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.267 ppm2      0.845 CV     1
 ASSI {  404}
   (( segid "    " and resid 12   and name HB  ))
   (  segid "    " and resid 12   and name HG2%)
      6.000     4.800     0.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.267 ppm2      0.796 CV     1
 ASSI {  405}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 12   and name HG2%)
      2.700     1.200     1.200 peak   405 spectrum    1 weight  0.10000E+01 volume  0.78016E-02 ppm1      4.127 ppm2      0.793 CV     1
 ASSI {  406}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG13))
      6.000     4.800     0.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.130 ppm2      1.243 CV     1
 ASSI {  407}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
      6.000     5.600     0.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.23901E-03 ppm1      0.459 ppm2      8.692 CV     1
 ASSI {  408}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 13   and name HN  ))
      2.900     1.400     1.400 peak   408 spectrum    1 weight  0.10000E+01 volume  0.89582E-02 ppm1      0.802 ppm2      8.693 CV     1
 ASSI {  409}
   (( segid "    " and resid 12   and name HG12))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.800     0.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.852 ppm2      8.690 CV     1
 ASSI {  410}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.800     0.000 peak   410 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.237 ppm2      8.688 CV     1
 ASSI {  411}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.800     0.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.267 ppm2      8.688 CV     1
 ASSI {  413}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      4.000     2.300     2.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.72182E-03 ppm1      7.395 ppm2      8.693 CV     1
 ASSI {  414}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      2.900     1.400     1.400 peak   414 spectrum    1 weight  0.10000E+01 volume  0.64531E-02 ppm1      4.848 ppm2      7.697 CV     1
 ASSI {  416}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 66   and name HN  ))
      6.000     4.800     0.000 peak   416 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.783 ppm2      7.696 CV     1
 ASSI {  418}
   (( segid "    " and resid 66   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.800     0.000 peak   418 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.873 ppm2      8.740 CV     1
 ASSI {  424}
   (  segid "    " and resid 67   and name HG1%)
   (( segid "    " and resid 68   and name HN  ))
      3.700     2.000     2.000 peak   424 spectrum    1 weight  0.10000E+01 volume  0.30307E-02 ppm1      0.652 ppm2      8.387 CV     1
 ASSI {  425}
   (  segid "    " and resid 67   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
      6.000     4.800     0.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.801 ppm2      8.387 CV     1
 ASSI {  428}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      6.000     4.800     0.000 peak   428 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.388 ppm2      8.743 CV     1
 ASSI {  429}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.800     0.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.495 ppm2      8.426 CV     1
 ASSI {  431}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.800     0.000 peak   431 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.160 ppm2      8.972 CV     1
 ASSI {  432}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.800     0.000 peak   432 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.820 ppm2      8.972 CV     1
 ASSI {  433}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.800     0.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.706 ppm2      8.972 CV     1
 ASSI {  434}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      4.200     2.500     1.800 peak   434 spectrum    1 weight  0.10000E+01 volume  0.16348E-02 ppm1      2.566 ppm2      9.373 CV     1
 ASSI {  435}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 41   and name HN  ))
      3.400     1.800     1.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.15679E-02 ppm1      2.926 ppm2      9.373 CV     1
 ASSI {  436}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.200     0.900     0.900 peak   436 spectrum    1 weight  0.10000E+01 volume  0.26769E-01 ppm1      4.988 ppm2      9.373 CV     1
 ASSI {  437}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      4.300     2.600     1.700 peak   437 spectrum    1 weight  0.10000E+01 volume  0.13671E-02 ppm1      8.975 ppm2      9.373 CV     1
 ASSI {  439}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.100     0.800     0.800 peak   439 spectrum    1 weight  0.10000E+01 volume  0.28012E-01 ppm1      5.207 ppm2      9.472 CV     1
 ASSI {  440}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HG3 ))
      6.000     4.800     0.000 peak   440 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.884 ppm2      1.611 CV     1
 ASSI {  441}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HG3 ))
      6.000     4.800     0.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.939 ppm2      1.609 CV     1
 ASSI {  442}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB3 ))
      6.000     4.800     0.000 peak   442 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.172 ppm2      1.888 CV     1
 ASSI {  443}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.800     0.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.169 ppm2      1.935 CV     1
 ASSI {  444}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 17   and name HD2 ))
      6.000     4.800     0.000 peak   444 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.648 ppm2      3.563 CV     1
 ASSI {  445}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HD3 ))
      6.000     4.800     0.000 peak   445 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.209 ppm2      3.646 CV     1
 ASSI {  446}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HB3 ))
      6.000     4.800     0.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.941 ppm2      1.888 CV     1
 ASSI {  448}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.200     1.600     1.600 peak   448 spectrum    1 weight  0.10000E+01 volume  0.34991E-02 ppm1      1.939 ppm2      9.475 CV     1
 ASSI {  450}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 16   and name HB3 ))
      3.700     2.000     2.000 peak   450 spectrum    1 weight  0.10000E+01 volume  0.62048E-02 ppm1      3.648 ppm2      1.741 CV     1
 OR {  450}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  451}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 16   and name HG3 ))
      6.000     4.800     0.000 peak   451 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.569 ppm2      1.634 CV     1
 ASSI {  452}
   (( segid "    " and resid 17   and name HD3 ))
   (( segid "    " and resid 16   and name HG3 ))
      6.000     4.800     0.000 peak   452 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.650 ppm2      1.634 CV     1
 ASSI {  453}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.800     0.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.889 ppm2      8.535 CV     1
 ASSI {  454}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.800     0.000 peak   454 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.972 ppm2      8.535 CV     1
 OR {  454}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI {  455}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 8    and name HN  ))
      4.100     2.400     1.900 peak   455 spectrum    1 weight  0.10000E+01 volume  0.17305E-02 ppm1      2.290 ppm2      8.537 CV     1
 ASSI {  456}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 8    and name HN  ))
      4.100     2.400     1.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.57265E-03 ppm1      3.484 ppm2      8.537 CV     1
 ASSI {  457}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 8    and name HN  ))
      3.300     1.700     1.700 peak   457 spectrum    1 weight  0.10000E+01 volume  0.42449E-02 ppm1      3.685 ppm2      8.533 CV     1
 ASSI {  458}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HB2 ))
      6.000     4.800     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.975 ppm2      1.890 CV     1
 OR {  458}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  459}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HG2 ))
      3.900     2.200     2.100 peak   459 spectrum    1 weight  0.10000E+01 volume  0.67496E-03 ppm1      2.293 ppm2      1.973 CV     1
 OR {  459}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HG3 ))
 ASSI {  460}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      6.000     4.800     0.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.558 ppm2      8.535 CV     1
 ASSI {  461}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.800     0.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.594 ppm2      7.557 CV     1
 ASSI {  462}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 9    and name HN  ))
      6.000     4.800     0.000 peak   462 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.864 ppm2      7.557 CV     1
 ASSI {  463}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      3.200     1.600     1.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.35756E-02 ppm1      4.848 ppm2      7.557 CV     1
 ASSI {  464}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.800     0.000 peak   464 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.558 ppm2      8.551 CV     1
 ASSI {  465}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 9    and name HA  ))
      6.000     4.800     0.000 peak   465 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.918 ppm2      3.758 CV     1
 ASSI {  466}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.800     0.000 peak   466 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.761 ppm2      8.551 CV     1
 ASSI {  467}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     1.100     1.100 peak   467 spectrum    1 weight  0.10000E+01 volume  0.10516E-01 ppm1      3.918 ppm2      8.551 CV     1
 ASSI {  468}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.800     0.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.215 ppm2      8.551 CV     1
 ASSI {  469}
   (( segid "    " and resid 25   and name HA2 ))
   (( segid "    " and resid 25   and name HA1 ))
      6.000     4.800     0.000 peak   469 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.030 ppm2      3.749 CV     1
 ASSI {  470}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HD21))
      3.500     1.800     1.800 peak   470 spectrum    1 weight  0.10000E+01 volume  0.18165E-02 ppm1      2.595 ppm2      7.507 CV     1
 ASSI {  471}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HD21))
      6.000     4.800     0.000 peak   471 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.862 ppm2      7.505 CV     1
 ASSI {  472}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HD22))
      4.700     3.000     1.300 peak   472 spectrum    1 weight  0.10000E+01 volume  0.10803E-02 ppm1      2.594 ppm2      6.852 CV     1
 ASSI {  473}
   (( segid "    " and resid 8    and name HB3 ))
   (( segid "    " and resid 8    and name HD22))
      6.000     4.800     0.000 peak   473 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.862 ppm2      6.852 CV     1
 ASSI {  474}
   (( segid "    " and resid 45   and name HE3 ))
   (  segid "    " and resid 45   and name HZ% )
      6.000     4.800     0.000 peak   474 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.823 ppm2      7.581 CV     1
 ASSI {  475}
   (( segid "    " and resid 45   and name HE2 ))
   (  segid "    " and resid 45   and name HZ% )
      6.000     4.800     0.000 peak   475 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.628 ppm2      7.579 CV     1
 ASSI {  476}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 65   and name HD22))
      4.700     3.000     1.300 peak   476 spectrum    1 weight  0.10000E+01 volume  0.11759E-02 ppm1      3.151 ppm2      7.026 CV     1
 ASSI {  478}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HD22))
      6.000     4.800     0.000 peak   478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.786 ppm2      7.023 CV     1
 ASSI {  479}
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HD21))
      6.000     4.800     0.000 peak   479 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.784 ppm2      7.365 CV     1
 ASSI {  480}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HD22))
      6.000     4.800     0.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.848 ppm2      7.023 CV     1
 ASSI {  481}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HD21))
      6.000     4.800     0.000 peak   481 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.848 ppm2      7.365 CV     1
 ASSI {  482}
   (( segid "    " and resid 65   and name HD22))
   (( segid "    " and resid 65   and name HD21))
      1.600     0.600     0.600 peak   482 spectrum    1 weight  0.10000E+01 volume  0.79448E-01 ppm1      7.029 ppm2      7.366 CV     1
 ASSI {  483}
   (( segid "    " and resid 16   and name HE2 ))
   (  segid "    " and resid 16   and name HZ% )
      3.500     1.800     1.800 peak   483 spectrum    1 weight  0.10000E+01 volume  0.14436E-02 ppm1      2.909 ppm2      7.449 CV     1
 OR {  483}
   (( segid "    " and resid 16   and name HE3 ))
   (  segid "    " and resid 16   and name HZ% )
 ASSI {  485}
   (( segid "    " and resid 58   and name HA1 ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.800     0.000 peak   485 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.918 ppm2      8.142 CV     1
 ASSI {  486}
   (( segid "    " and resid 58   and name HA2 ))
   (( segid "    " and resid 58   and name HA1 ))
      6.000     4.800     0.000 peak   486 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.005 ppm2      3.907 CV     1
 ASSI {  487}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.800     0.000 peak   487 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.932 ppm2      8.143 CV     1
 ASSI {  488}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 3    and name HB  ))
      3.600     2.000     2.000 peak   488 spectrum    1 weight  0.10000E+01 volume  0.13194E-02 ppm1      4.396 ppm2      3.932 CV     1
 ASSI {  489}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 3    and name HG2%)
      2.500     1.100     1.100 peak   489 spectrum    1 weight  0.10000E+01 volume  0.12238E-01 ppm1      3.937 ppm2      1.124 CV     1
 ASSI {  491}
   (( segid "    " and resid 16   and name HD3 ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.800     0.000 peak   491 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.575 ppm2      8.654 CV     1
 OR {  491}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HN  ))
 ASSI {  492}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HD2 ))
      6.000     4.800     0.000 peak   492 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.633 ppm2      1.572 CV     1
 OR {  492}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HD3 ))
 ASSI {  493}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 43   and name HN  ))
      2.600     1.200     1.200 peak   493 spectrum    1 weight  0.10000E+01 volume  0.11664E-01 ppm1      3.692 ppm2      8.323 CV     1
 OR {  493}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
 ASSI {  494}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.800     0.000 peak   494 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.733 ppm2      8.606 CV     1
 ASSI {  495}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.800     0.000 peak   495 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.618 ppm2      8.605 CV     1
 ASSI {  496}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.800     0.000 peak   496 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.676 ppm2      8.603 CV     1
 ASSI {  497}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB3 ))
      6.000     4.800     0.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.616 ppm2      2.732 CV     1
 ASSI {  498}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      6.000     4.800     0.000 peak   498 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.618 ppm2      2.678 CV     1
 ASSI {  499}
   (( segid "    " and resid 48   and name HE2 ))
   (  segid "    " and resid 48   and name HZ% )
      3.900     2.200     2.100 peak   499 spectrum    1 weight  0.10000E+01 volume  0.71705E-03 ppm1      2.816 ppm2      7.447 CV     1
 ASSI {  500}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 59   and name HN  ))
      3.000     1.500     1.500 peak   500 spectrum    1 weight  0.10000E+01 volume  0.52391E-02 ppm1      1.474 ppm2      8.459 CV     1
 ASSI {  501}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.800     0.000 peak   501 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.774 ppm2      8.459 CV     1
 ASSI {  502}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.800     0.000 peak   502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.746 ppm2      8.459 CV     1
 ASSI {  503}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.800     0.000 peak   503 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.379 ppm2      8.459 CV     1
 ASSI {  504}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.800     0.000 peak   504 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.406 ppm2      8.460 CV     1
 ASSI {  505}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.800     0.000 peak   505 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.686 ppm2      9.015 CV     1
 OR {  505}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI {  506}
   (( segid "    " and resid 45   and name HD2 ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.800     0.000 peak   506 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.465 ppm2      9.017 CV     1
 ASSI {  507}
   (( segid "    " and resid 45   and name HE2 ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.800     0.000 peak   507 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.633 ppm2      9.017 CV     1
 ASSI {  508}
   (( segid "    " and resid 45   and name HD3 ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.800     0.000 peak   508 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.631 ppm2      9.015 CV     1
 ASSI {  509}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.800     0.000 peak   509 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.217 ppm2      9.017 CV     1
 ASSI {  510}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.800     0.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.178 ppm2      9.017 CV     1
 ASSI {  511}
   (( segid "    " and resid 45   and name HE3 ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.800     0.000 peak   511 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.823 ppm2      9.017 CV     1
 ASSI {  512}
   (( segid "    " and resid 45   and name HE3 ))
   (( segid "    " and resid 45   and name HE2 ))
      6.000     4.800     0.000 peak   512 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.825 ppm2      2.622 CV     1
 ASSI {  513}
   (( segid "    " and resid 45   and name HE3 ))
   (( segid "    " and resid 45   and name HB2 ))
      6.000     4.800     0.000 peak   513 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.825 ppm2      1.690 CV     1
 OR {  513}
   (( segid "    " and resid 45   and name HE3 ))
   (( segid "    " and resid 45   and name HB3 ))
 ASSI {  514}
   (( segid "    " and resid 45   and name HE3 ))
   (( segid "    " and resid 45   and name HD3 ))
      6.000     4.800     0.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.825 ppm2      1.633 CV     1
 ASSI {  515}
   (( segid "    " and resid 45   and name HE3 ))
   (( segid "    " and resid 45   and name HD2 ))
      6.000     4.800     0.000 peak   515 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.823 ppm2      1.459 CV     1
 ASSI {  516}
   (( segid "    " and resid 45   and name HE3 ))
   (( segid "    " and resid 45   and name HG3 ))
      6.000     4.800     0.000 peak   516 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.820 ppm2      1.216 CV     1
 ASSI {  518}
   (( segid "    " and resid 45   and name HE2 ))
   (( segid "    " and resid 45   and name HD3 ))
      6.000     4.800     0.000 peak   518 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.632 ppm2      1.632 CV     1
 ASSI {  519}
   (( segid "    " and resid 45   and name HE2 ))
   (( segid "    " and resid 45   and name HD2 ))
      3.100     1.500     1.500 peak   519 spectrum    1 weight  0.10000E+01 volume  0.52681E-02 ppm1      2.629 ppm2      1.459 CV     1
 ASSI {  520}
   (( segid "    " and resid 45   and name HE2 ))
   (( segid "    " and resid 45   and name HG2 ))
      6.000     4.800     0.000 peak   520 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.632 ppm2      1.179 CV     1
 ASSI {  521}
   (( segid "    " and resid 45   and name HE2 ))
   (( segid "    " and resid 45   and name HB2 ))
      6.000     4.800     0.000 peak   521 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.635 ppm2      1.687 CV     1
 OR {  521}
   (( segid "    " and resid 45   and name HE2 ))
   (( segid "    " and resid 45   and name HB3 ))
 ASSI {  522}
   (( segid "    " and resid 45   and name HE2 ))
   (( segid "    " and resid 45   and name HG3 ))
      6.000     4.800     0.000 peak   522 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.633 ppm2      1.219 CV     1
 ASSI {  523}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 45   and name HG2 ))
      6.000     4.800     0.000 peak   523 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.219 ppm2      1.179 CV     1
 ASSI {  524}
   (( segid "    " and resid 45   and name HD2 ))
   (( segid "    " and resid 45   and name HG2 ))
      6.000     4.800     0.000 peak   524 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.465 ppm2      1.182 CV     1
 ASSI {  525}
   (( segid "    " and resid 45   and name HD2 ))
   (( segid "    " and resid 45   and name HG3 ))
      6.000     4.800     0.000 peak   525 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.465 ppm2      1.216 CV     1
 ASSI {  526}
   (( segid "    " and resid 45   and name HD3 ))
   (( segid "    " and resid 45   and name HG2 ))
      6.000     4.800     0.000 peak   526 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.632 ppm2      1.179 CV     1
 ASSI {  527}
   (( segid "    " and resid 45   and name HD3 ))
   (( segid "    " and resid 45   and name HG3 ))
      6.000     4.800     0.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.634 ppm2      1.216 CV     1
 ASSI {  528}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HG3 ))
      6.000     4.800     0.000 peak   528 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.687 ppm2      1.216 CV     1
 OR {  528}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HG3 ))
 ASSI {  529}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HG2 ))
      6.000     4.800     0.000 peak   529 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.687 ppm2      1.179 CV     1
 OR {  529}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HG2 ))
 ASSI {  530}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HD2 ))
      6.000     4.800     0.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.687 ppm2      1.459 CV     1
 OR {  530}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HD2 ))
 ASSI {  532}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HD3 ))
      6.000     4.800     0.000 peak   532 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.687 ppm2      1.633 CV     1
 OR {  532}
   (( segid "    " and resid 45   and name HB3 ))
   (( segid "    " and resid 45   and name HD3 ))
 ASSI {  533}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HZ% )
      6.000     4.800     0.000 peak   533 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.687 ppm2      7.579 CV     1
 OR {  533}
   (( segid "    " and resid 45   and name HB3 ))
   (  segid "    " and resid 45   and name HZ% )
 ASSI {  534}
   (( segid "    " and resid 45   and name HD3 ))
   (  segid "    " and resid 45   and name HZ% )
      6.000     4.800     0.000 peak   534 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.630 ppm2      7.579 CV     1
 ASSI {  535}
   (( segid "    " and resid 45   and name HD2 ))
   (  segid "    " and resid 45   and name HZ% )
      4.000     2.300     2.000 peak   535 spectrum    1 weight  0.10000E+01 volume  0.89582E-03 ppm1      1.467 ppm2      7.572 CV     1
 ASSI {  536}
   (( segid "    " and resid 45   and name HG3 ))
   (  segid "    " and resid 45   and name HZ% )
      6.000     4.800     0.000 peak   536 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.220 ppm2      7.579 CV     1
 ASSI {  537}
   (( segid "    " and resid 45   and name HG2 ))
   (  segid "    " and resid 45   and name HZ% )
      6.000     4.800     0.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.180 ppm2      7.579 CV     1
 ASSI {  538}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.800     0.000 peak   538 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.182 ppm2      8.943 CV     1
 ASSI {  539}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.800     0.000 peak   539 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.218 ppm2      8.943 CV     1
 ASSI {  540}
   (( segid "    " and resid 45   and name HD3 ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.800     0.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.635 ppm2      8.943 CV     1
 ASSI {  541}
   (( segid "    " and resid 45   and name HD2 ))
   (( segid "    " and resid 46   and name HN  ))
      5.000     3.500     1.000 peak   541 spectrum    1 weight  0.10000E+01 volume  0.72086E-03 ppm1      1.464 ppm2      8.937 CV     1
 ASSI {  542}
   (( segid "    " and resid 45   and name HE2 ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.800     0.000 peak   542 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.630 ppm2      8.945 CV     1
 ASSI {  543}
   (( segid "    " and resid 45   and name HE3 ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.800     0.000 peak   543 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.824 ppm2      8.943 CV     1
 ASSI {  545}
   (( segid "    " and resid 36   and name HG12))
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.800     0.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.742 ppm2      8.618 CV     1
 ASSI {  546}
   (( segid "    " and resid 36   and name HG13))
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.800     0.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.991 ppm2      8.613 CV     1
 ASSI {  547}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HN  ))
      2.800     1.300     1.300 peak   547 spectrum    1 weight  0.10000E+01 volume  0.67592E-02 ppm1      1.506 ppm2      8.613 CV     1
 ASSI {  548}
   (( segid "    " and resid 36   and name HG12))
   (( segid "    " and resid 36   and name HA  ))
      6.000     4.800     0.000 peak   548 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.744 ppm2      3.358 CV     1
 ASSI {  550}
   (( segid "    " and resid 36   and name HG13))
   (( segid "    " and resid 36   and name HA  ))
      2.800     1.200     1.200 peak   550 spectrum    1 weight  0.10000E+01 volume  0.36999E-02 ppm1      0.991 ppm2      3.358 CV     1
 ASSI {  551}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HA  ))
      3.700     2.000     2.000 peak   551 spectrum    1 weight  0.10000E+01 volume  0.60327E-02 ppm1      1.509 ppm2      3.358 CV     1
 ASSI {  553}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 36   and name HB  ))
      6.000     4.800     0.000 peak   553 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.506 ppm2      1.737 CV     1
 ASSI {  554}
   (( segid "    " and resid 36   and name HG13))
   (( segid "    " and resid 36   and name HB  ))
      3.200     1.600     1.600 peak   554 spectrum    1 weight  0.10000E+01 volume  0.30402E-02 ppm1      0.991 ppm2      1.737 CV     1
 ASSI {  555}
   (( segid "    " and resid 36   and name HG13))
   (  segid "    " and resid 36   and name HD1%)
      1.900     0.800     0.800 peak   555 spectrum    1 weight  0.10000E+01 volume  0.42736E-01 ppm1      0.991 ppm2      1.503 CV     1
 ASSI {  556}
   (  segid "    " and resid 36   and name HG2%)
   (  segid "    " and resid 36   and name HD1%)
      6.000     4.800     0.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.805 ppm2      1.504 CV     1
 ASSI {  557}
   (( segid "    " and resid 36   and name HG12))
   (  segid "    " and resid 36   and name HD1%)
      6.000     4.800     0.000 peak   557 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.742 ppm2      1.503 CV     1
 ASSI {  558}
   (( segid "    " and resid 36   and name HG12))
   (( segid "    " and resid 36   and name HB  ))
      6.000     4.800     0.000 peak   558 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.742 ppm2      1.737 CV     1
 ASSI {  560}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 36   and name HG13))
      6.000     4.800     0.000 peak   560 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.805 ppm2      0.990 CV     1
 ASSI {  561}
   (( segid "    " and resid 36   and name HG12))
   (( segid "    " and resid 36   and name HG13))
      6.000     4.800     0.000 peak   561 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.744 ppm2      0.990 CV     1
 ASSI {  563}
   (( segid "    " and resid 36   and name HB  ))
   (  segid "    " and resid 36   and name HG2%)
      2.400     1.000     1.000 peak   563 spectrum    1 weight  0.10000E+01 volume  0.13384E-01 ppm1      1.736 ppm2      0.802 CV     1
 ASSI {  568}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 36   and name HG2%)
      2.600     1.100     1.100 peak   568 spectrum    1 weight  0.10000E+01 volume  0.81169E-02 ppm1      3.364 ppm2      0.799 CV     1
 ASSI {  570}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.800     0.000 peak   570 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.614 ppm2      9.038 CV     1
 ASSI {  571}
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.800     0.000 peak   571 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.737 ppm2      9.038 CV     1
 ASSI {  572}
   (  segid "    " and resid 36   and name HD1%)
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.800     0.000 peak   572 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.505 ppm2      9.038 CV     1
 ASSI {  574}
   (( segid "    " and resid 36   and name HG12))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.800     0.000 peak   574 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.743 ppm2      9.038 CV     1
 ASSI {  577}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.800     0.000 peak   577 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.345 ppm2      8.150 CV     1
 ASSI {  578}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      6.000     4.800     0.000 peak   578 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.152 ppm2      8.428 CV     1
 ASSI {  579}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG2 ))
      6.000     4.800     0.000 peak   579 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.633 ppm2      2.419 CV     1
 OR {  579}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HG3 ))
 ASSI {  580}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.800     0.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.632 ppm2      8.535 CV     1
 ASSI {  581}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.800     0.000 peak   581 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.846 ppm2      8.535 CV     1
 ASSI {  582}
   (( segid "    " and resid 23   and name HB3 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.800     0.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.010 ppm2      8.535 CV     1
 ASSI {  583}
   (( segid "    " and resid 23   and name HG3 ))
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.800     0.000 peak   583 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.423 ppm2      8.535 CV     1
 OR {  583}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI {  584}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.800     0.000 peak   584 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.536 ppm2      8.729 CV     1
 ASSI {  585}
   (( segid "    " and resid 24   and name HB3 ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.800     0.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.778 ppm2      8.729 CV     1
 OR {  585}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
 ASSI {  586}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      6.000     4.800     0.000 peak   586 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.255 ppm2      8.729 CV     1
 ASSI {  588}
   (( segid "    " and resid 25   and name HA1 ))
   (( segid "    " and resid 26   and name HN  ))
      6.000     4.800     0.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.771 ppm2      7.870 CV     1
 ASSI {  590}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.800     0.000 peak   590 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.486 ppm2      8.437 CV     1
 ASSI {  591}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.800     0.000 peak   591 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.384 ppm2      8.438 CV     1
 ASSI {  592}
   (  segid "    " and resid 27   and name HB% )
   (( segid "    " and resid 27   and name HA  ))
      6.000     4.800     0.000 peak   592 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.389 ppm2      4.484 CV     1
 ASSI {  594}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.500     1.100     1.100 peak   594 spectrum    1 weight  0.10000E+01 volume  0.12046E-01 ppm1      4.575 ppm2      8.433 CV     1
 ASSI {  595}
   (( segid "    " and resid 26   and name HB3 ))
   (( segid "    " and resid 27   and name HN  ))
      3.300     1.600     1.600 peak   595 spectrum    1 weight  0.10000E+01 volume  0.28395E-02 ppm1      3.694 ppm2      8.432 CV     1
 ASSI {  596}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      6.000     4.800     0.000 peak   596 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.852 ppm2      8.433 CV     1
 ASSI {  598}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      6.000     4.800     0.000 peak   598 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.935 ppm2      4.371 CV     1
 ASSI {  599}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HA  ))
      6.000     4.800     0.000 peak   599 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.974 ppm2      4.372 CV     1
 ASSI {  600}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.800     0.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.974 ppm2      8.640 CV     1
 ASSI {  601}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.800     0.000 peak   601 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.929 ppm2      8.639 CV     1
 ASSI {  602}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 14   and name HB2 ))
      6.000     4.800     0.000 peak   602 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.972 ppm2      2.931 CV     1
 ASSI {  605}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.800     0.000 peak   605 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.767 ppm2      8.733 CV     1
 ASSI {  606}
   (  segid "    " and resid 63   and name HB% )
   (( segid "    " and resid 63   and name HN  ))
      2.400     1.100     1.100 peak   606 spectrum    1 weight  0.10000E+01 volume  0.20937E-01 ppm1      1.323 ppm2      8.732 CV     1
 ASSI {  608}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.800     0.000 peak   608 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.633 ppm2      8.764 CV     1
 ASSI {  609}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.700     1.200     1.200 peak   609 spectrum    1 weight  0.10000E+01 volume  0.81453E-02 ppm1      4.635 ppm2      1.697 CV     1
 OR {  609}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HB3 ))
 ASSI {  610}
   (( segid "    " and resid 29   and name HG  ))
   (( segid "    " and resid 29   and name HB3 ))
      6.000     4.800     0.000 peak   610 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.489 ppm2      1.697 CV     1
 OR {  610}
   (( segid "    " and resid 29   and name HG  ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI {  611}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 29   and name HB3 ))
      6.000     4.800     0.000 peak   611 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.184 ppm2      1.695 CV     1
 OR {  611}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 29   and name HB2 ))
 ASSI {  612}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 29   and name HG  ))
      6.000     4.800     0.000 peak   612 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.184 ppm2      1.490 CV     1
 ASSI {  613}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      2.700     1.200     1.200 peak   613 spectrum    1 weight  0.10000E+01 volume  0.83657E-02 ppm1      8.441 ppm2      8.132 CV     1
 ASSI {  614}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.800     0.000 peak   614 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.598 ppm2      8.131 CV     1
 ASSI {  615}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 28   and name HN  ))
      6.000     4.800     0.000 peak   615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.636 ppm2      8.131 CV     1
 ASSI {  616}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB2 ))
      6.000     4.800     0.000 peak   616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.650 ppm2      3.590 CV     1
 ASSI {  617}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HB3 ))
      6.000     4.800     0.000 peak   617 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.649 ppm2      3.628 CV     1
 ASSI {  618}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.800     0.000 peak   618 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.600 ppm2      8.760 CV     1
 ASSI {  619}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.800     0.000 peak   619 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.638 ppm2      8.760 CV     1
 ASSI {  620}
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.800     0.000 peak   620 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.651 ppm2      8.756 CV     1
 ASSI {  621}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      4.500     2.800     1.500 peak   621 spectrum    1 weight  0.10000E+01 volume  0.76960E-03 ppm1      8.761 ppm2      8.129 CV     1
 ASSI {  622}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.800     0.000 peak   622 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.581 ppm2      8.760 CV     1
 ASSI {  623}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.800     0.000 peak   623 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.633 ppm2      8.580 CV     1
 ASSI {  624}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.800     0.000 peak   624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.185 ppm2      8.578 CV     1
 ASSI {  625}
   (( segid "    " and resid 29   and name HG  ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.800     0.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.493 ppm2      8.578 CV     1
 ASSI {  626}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.800     0.000 peak   626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.697 ppm2      8.580 CV     1
 OR {  626}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI {  628}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.800     0.000 peak   628 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.594 ppm2      8.786 CV     1
 ASSI {  629}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      3.700     2.000     2.000 peak   629 spectrum    1 weight  0.10000E+01 volume  0.19312E-02 ppm1      8.787 ppm2      8.583 CV     1
 ASSI {  630}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      6.000     4.800     0.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.360 ppm2      8.784 CV     1
 ASSI {  631}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      2.200     0.900     0.900 peak   631 spectrum    1 weight  0.10000E+01 volume  0.22754E-01 ppm1      5.660 ppm2      8.359 CV     1
 ASSI {  632}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.800     0.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.639 ppm2      8.357 CV     1
 ASSI {  633}
   (( segid "    " and resid 31   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.800     0.000 peak   633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.834 ppm2      8.357 CV     1
 ASSI {  634}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB  ))
      3.400     1.800     1.800 peak   634 spectrum    1 weight  0.10000E+01 volume  0.16253E-02 ppm1      4.723 ppm2      2.178 CV     1
 ASSI {  635}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 32   and name HG1%)
      4.300     2.600     1.700 peak   635 spectrum    1 weight  0.10000E+01 volume  0.46655E-03 ppm1      4.723 ppm2      0.889 CV     1
 ASSI {  636}
   (  segid "    " and resid 32   and name HG1%)
   (  segid "    " and resid 32   and name HG2%)
      6.000     4.800     0.000 peak   636 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.897 ppm2      0.982 CV     1
 ASSI {  637}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.800     0.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.725 ppm2      8.632 CV     1
 ASSI {  639}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.800     0.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.897 ppm2      8.632 CV     1
 ASSI {  640}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.800     0.000 peak   640 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.997 ppm2      8.632 CV     1
 ASSI {  641}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HN  ))
      6.000     4.800     0.000 peak   641 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.351 ppm2      8.639 CV     1
 ASSI {  642}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      6.000     4.800     0.000 peak   642 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.325 ppm2      8.784 CV     1
 ASSI {  643}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.800     0.000 peak   643 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.749 ppm2      3.687 CV     1
 OR {  643}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB3 ))
 ASSI {  644}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      6.000     4.800     0.000 peak   644 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.749 ppm2      8.784 CV     1
 ASSI {  646}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 3    and name HN  ))
      3.500     1.800     1.800 peak   646 spectrum    1 weight  0.10000E+01 volume  0.36234E-02 ppm1      1.125 ppm2      8.140 CV     1
 ASSI {  647}
   (( segid "    " and resid 8    and name HD22))
   (( segid "    " and resid 8    and name HD21))
      6.000     4.800     0.000 peak   647 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.848 ppm2      7.505 CV     1
 ASSI {  648}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HD21))
      6.000     4.800     0.000 peak   648 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.846 ppm2      7.505 CV     1
 ASSI {  649}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HD22))
      6.000     4.800     0.000 peak   649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.846 ppm2      6.852 CV     1
 ASSI {  650}
   (  segid "    " and resid 18   and name HE% )
   (  segid "    " and resid 18   and name HD% )
      2.000     0.800     0.800 peak   650 spectrum    1 weight  0.10000E+01 volume  0.34609E-01 ppm1      6.521 ppm2      6.729 CV     1
 ASSI {  651}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 42   and name HN  ))
      2.400     1.000     1.000 peak   651 spectrum    1 weight  0.10000E+01 volume  0.15106E-01 ppm1      1.324 ppm2      7.128 CV     1
 ASSI {  652}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      6.000     4.800     0.000 peak   652 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.658 ppm2      7.132 CV     1
 ASSI {  653}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 42   and name HB% )
      6.000     4.800     0.000 peak   653 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.658 ppm2      1.323 CV     1
 ASSI {  654}
   (( segid "    " and resid 36   and name HG13))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.800     0.000 peak   654 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.997 ppm2      9.038 CV     1
 ASSI {  655}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      1.900     0.800     0.800 peak   655 spectrum    1 weight  0.10000E+01 volume  0.33462E-01 ppm1      3.363 ppm2      9.038 CV     1
 ASSI {  656}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.800     0.000 peak   656 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.142 ppm2      8.658 CV     1
 ASSI {  657}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 4    and name HN  ))
      3.000     1.400     1.400 peak   657 spectrum    1 weight  0.10000E+01 volume  0.72563E-02 ppm1      1.125 ppm2      8.658 CV     1
 ASSI {  658}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.800     0.000 peak   658 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.932 ppm2      8.661 CV     1
 ASSI {  659}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      6.000     4.800     0.000 peak   659 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.390 ppm2      8.661 CV     1
 ASSI {  660}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HB3 ))
      6.000     4.800     0.000 peak   660 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.713 ppm2      2.811 CV     1
 ASSI {  661}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      6.000     4.800     0.000 peak   661 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.785 ppm2      2.707 CV     1
 ASSI {  662}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB3 ))
      6.000     4.800     0.000 peak   662 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.783 ppm2      2.811 CV     1
 ASSI {  663}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.800     0.000 peak   663 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.710 ppm2      8.191 CV     1
 ASSI {  664}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.800     0.000 peak   664 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.770 ppm2      8.193 CV     1
 ASSI {  665}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.800     0.000 peak   665 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.365 ppm2      8.193 CV     1
 ASSI {  666}
   (( segid "    " and resid 55   and name HA2 ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.800     0.000 peak   666 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.980 ppm2      8.356 CV     1
 ASSI {  667}
   (( segid "    " and resid 55   and name HA1 ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.800     0.000 peak   667 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.927 ppm2      8.356 CV     1
 ASSI {  668}
   (( segid "    " and resid 55   and name HA1 ))
   (( segid "    " and resid 55   and name HA2 ))
      6.000     4.800     0.000 peak   668 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.927 ppm2      3.984 CV     1
 ASSI {  669}
   (( segid "    " and resid 55   and name HA2 ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.800     0.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.980 ppm2      8.397 CV     1
 ASSI {  670}
   (( segid "    " and resid 55   and name HA1 ))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.800     0.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.926 ppm2      8.395 CV     1
 ASSI {  671}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.800     0.000 peak   671 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.401 ppm2      8.355 CV     1
 ASSI {  672}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.800     0.000 peak   672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.724 ppm2      8.205 CV     1
 ASSI {  673}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.800     0.000 peak   673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.824 ppm2      8.193 CV     1
 ASSI {  674}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.800     0.000 peak   674 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.841 ppm2      8.205 CV     1
 ASSI {  675}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.800     0.000 peak   675 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.758 ppm2      8.207 CV     1
 ASSI {  676}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      6.000     4.800     0.000 peak   676 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.398 ppm2      8.207 CV     1
 ASSI {  677}
   (( segid "    " and resid 57   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.800     0.000 peak   677 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.875 ppm2      8.143 CV     1
 OR {  677}
   (( segid "    " and resid 57   and name HB3 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI {  678}
   (( segid "    " and resid 57   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.800     0.000 peak   678 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.490 ppm2      8.143 CV     1
 ASSI {  679}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      6.000     4.800     0.000 peak   679 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.206 ppm2      8.143 CV     1
 ASSI {  680}
   (  segid "    " and resid 59   and name HD1%)
   (  segid "    " and resid 59   and name HD2%)
      6.000     4.800     0.000 peak   680 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.742 ppm2      0.786 CV     1
 ASSI {  681}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 59   and name HD1%)
      6.000     4.800     0.000 peak   681 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.408 ppm2      0.743 CV     1
 ASSI {  682}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 59   and name HD2%)
      6.000     4.800     0.000 peak   682 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.410 ppm2      0.787 CV     1
 ASSI {  683}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 59   and name HD1%)
      6.000     4.800     0.000 peak   683 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.377 ppm2      0.742 CV     1
 ASSI {  684}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 59   and name HD2%)
      6.000     4.800     0.000 peak   684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.377 ppm2      0.787 CV     1
 ASSI {  685}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 59   and name HD1%)
      6.000     4.800     0.000 peak   685 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.476 ppm2      0.743 CV     1
 ASSI {  686}
   (( segid "    " and resid 59   and name HG  ))
   (  segid "    " and resid 59   and name HD2%)
      6.000     4.800     0.000 peak   686 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.478 ppm2      0.784 CV     1
 ASSI {  687}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 59   and name HB2 ))
      6.000     4.800     0.000 peak   687 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.474 ppm2      1.375 CV     1
 ASSI {  688}
   (( segid "    " and resid 59   and name HG  ))
   (( segid "    " and resid 59   and name HB3 ))
      6.000     4.800     0.000 peak   688 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.474 ppm2      1.405 CV     1
 ASSI {  689}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB2 ))
      6.000     4.800     0.000 peak   689 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.482 ppm2      1.375 CV     1
 ASSI {  690}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HG  ))
      3.100     1.500     1.500 peak   690 spectrum    1 weight  0.10000E+01 volume  0.29637E-02 ppm1      4.486 ppm2      1.473 CV     1
 ASSI {  691}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 59   and name HB3 ))
      6.000     4.800     0.000 peak   691 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.488 ppm2      1.402 CV     1
 ASSI {  692}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 59   and name HD1%)
      3.500     1.800     1.800 peak   692 spectrum    1 weight  0.10000E+01 volume  0.43883E-02 ppm1      4.482 ppm2      0.744 CV     1
 ASSI {  693}
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 59   and name HD2%)
      4.300     2.600     1.700 peak   693 spectrum    1 weight  0.10000E+01 volume  0.14627E-02 ppm1      4.484 ppm2      0.785 CV     1
 ASSI {  694}
   (( segid "    " and resid 58   and name HA1 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.800     0.000 peak   694 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.910 ppm2      8.458 CV     1
 ASSI {  696}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.800     0.000 peak   696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.147 ppm2      8.459 CV     1
 ASSI {  697}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.800     0.000 peak   697 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.605 ppm2      8.635 CV     1
 ASSI {  698}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.800     0.000 peak   698 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.374 ppm2      8.632 CV     1
 ASSI {  699}
   (( segid "    " and resid 5    and name HG13))
   (  segid "    " and resid 5    and name HD1%)
      6.000     4.800     0.000 peak   699 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.036 ppm2      0.602 CV     1
 ASSI {  700}
   (( segid "    " and resid 5    and name HG12))
   (  segid "    " and resid 5    and name HD1%)
      6.000     4.800     0.000 peak   700 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.377 ppm2      0.602 CV     1
 ASSI {  701}
   (( segid "    " and resid 5    and name HG12))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.800     0.000 peak   701 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.374 ppm2      0.635 CV     1
 ASSI {  702}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 5    and name HG13))
      6.000     4.800     0.000 peak   702 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.374 ppm2      1.031 CV     1
 ASSI {  703}
   (( segid "    " and resid 5    and name HB  ))
   (  segid "    " and resid 5    and name HD1%)
      6.000     4.800     0.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.958 ppm2      0.604 CV     1
 ASSI {  704}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      6.000     4.800     0.000 peak   704 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.833 ppm2      0.602 CV     1
 ASSI {  705}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG12))
      6.000     4.800     0.000 peak   705 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.834 ppm2      1.368 CV     1
 ASSI {  706}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.200     0.900     0.900 peak   706 spectrum    1 weight  0.10000E+01 volume  0.20459E-01 ppm1      3.830 ppm2      8.829 CV     1
 ASSI {  707}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.800     0.000 peak   707 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.960 ppm2      8.829 CV     1
 ASSI {  708}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.800     0.000 peak   708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.377 ppm2      8.829 CV     1
 ASSI {  709}
   (( segid "    " and resid 5    and name HG13))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.800     0.000 peak   709 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.035 ppm2      8.827 CV     1
 ASSI {  711}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.800     0.000 peak   711 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.608 ppm2      8.832 CV     1
 ASSI {  712}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.800     0.000 peak   712 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.638 ppm2      8.829 CV     1
 ASSI {  713}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.800     0.000 peak   713 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.958 ppm2      8.632 CV     1
 ASSI {  714}
   (( segid "    " and resid 4    and name HB  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.800     0.000 peak   714 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.859 ppm2      8.635 CV     1
 ASSI {  715}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.800     0.000 peak   715 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.615 ppm2      8.635 CV     1
 ASSI {  716}
   (( segid "    " and resid 61   and name HG12))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.800     0.000 peak   716 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.602 ppm2      8.607 CV     1
 ASSI {  717}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.800     0.000 peak   717 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.664 ppm2      8.606 CV     1
 ASSI {  718}
   (( segid "    " and resid 61   and name HG13))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.800     0.000 peak   718 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.978 ppm2      8.604 CV     1
 ASSI {  719}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.800     0.000 peak   719 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.415 ppm2      8.606 CV     1
 ASSI {  720}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.200     0.900     0.900 peak   720 spectrum    1 weight  0.10000E+01 volume  0.26483E-01 ppm1      4.153 ppm2      8.606 CV     1
 ASSI {  721}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.800     0.000 peak   721 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.607 ppm2      8.801 CV     1
 ASSI {  722}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.800     0.000 peak   722 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.617 ppm2      8.734 CV     1
 ASSI {  723}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.800     0.000 peak   723 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.734 ppm2      8.734 CV     1
 ASSI {  724}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.800     0.000 peak   724 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.675 ppm2      8.734 CV     1
 ASSI {  725}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.800     0.000 peak   725 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.607 ppm2      8.734 CV     1
 ASSI {  726}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.300     1.600     1.600 peak   726 spectrum    1 weight  0.10000E+01 volume  0.23519E-02 ppm1      3.771 ppm2      8.355 CV     1
 ASSI {  727}
   (  segid "    " and resid 63   and name HB% )
   (( segid "    " and resid 64   and name HN  ))
      6.000     4.800     0.000 peak   727 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.329 ppm2      8.355 CV     1
 ASSI {  728}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      3.000     1.400     1.400 peak   728 spectrum    1 weight  0.10000E+01 volume  0.49619E-02 ppm1      8.740 ppm2      8.355 CV     1
 ASSI {  730}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.800     0.000 peak   730 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.215 ppm2      8.153 CV     1
 ASSI {  731}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.800     0.000 peak   731 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.356 ppm2      8.150 CV     1
 ASSI {  732}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.800     0.000 peak   732 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.720 ppm2      8.307 CV     1
 ASSI {  733}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 50   and name HB2 ))
      6.000     4.800     0.000 peak   733 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.784 ppm2      2.697 CV     1
 ASSI {  734}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB3 ))
      6.000     4.800     0.000 peak   734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.718 ppm2      2.783 CV     1
 ASSI {  735}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HB2 ))
      6.000     4.800     0.000 peak   735 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.720 ppm2      2.697 CV     1
 ASSI {  738}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 51   and name HN  ))
      6.000     4.800     0.000 peak   738 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.823 ppm2      7.790 CV     1
 OR {  738}
   (  segid "    " and resid 51   and name HG1%)
   (( segid "    " and resid 51   and name HN  ))
 ASSI {  739}
   (( segid "    " and resid 51   and name HB  ))
   (  segid "    " and resid 51   and name HG1%)
      6.000     4.800     0.000 peak   739 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.048 ppm2      0.813 CV     1
 OR {  739}
   (( segid "    " and resid 51   and name HB  ))
   (  segid "    " and resid 51   and name HG2%)
 ASSI {  740}
   (( segid "    " and resid 51   and name HB  ))
   (( segid "    " and resid 51   and name HA  ))
      2.700     1.200     1.200 peak   740 spectrum    1 weight  0.10000E+01 volume  0.75147E-02 ppm1      2.052 ppm2      4.193 CV     1
 ASSI {  742}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.800     0.000 peak   742 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.747 ppm2      8.637 CV     1
 OR {  742}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  743}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      6.000     4.800     0.000 peak   743 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.363 ppm2      8.639 CV     1
 ASSI {  744}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      6.000     4.800     0.000 peak   744 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.639 ppm2      8.692 CV     1
 ASSI {  745}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.800     0.000 peak   745 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.930 ppm2      7.968 CV     1
 ASSI {  746}
   (( segid "    " and resid 14   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.800     0.000 peak   746 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.972 ppm2      7.968 CV     1
 ASSI {  747}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.900     1.400     1.400 peak   747 spectrum    1 weight  0.10000E+01 volume  0.52107E-02 ppm1      4.373 ppm2      7.968 CV     1
 ASSI {  748}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.500     1.100     1.100 peak   748 spectrum    1 weight  0.10000E+01 volume  0.11186E-01 ppm1      8.641 ppm2      7.969 CV     1
 ASSI {  749}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      4.000     2.300     2.000 peak   749 spectrum    1 weight  0.10000E+01 volume  0.21416E-02 ppm1      2.396 ppm2      8.653 CV     1
 ASSI {  750}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 16   and name HN  ))
      3.100     1.500     1.500 peak   750 spectrum    1 weight  0.10000E+01 volume  0.20364E-02 ppm1      3.104 ppm2      8.651 CV     1
 ASSI {  751}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.800     0.000 peak   751 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.641 ppm2      8.658 CV     1
 ASSI {  752}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      6.000     4.800     0.000 peak   752 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.972 ppm2      8.658 CV     1
 ASSI {  753}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HD% )
      2.900     1.300     1.300 peak   753 spectrum    1 weight  0.10000E+01 volume  0.41970E-02 ppm1      4.636 ppm2      6.878 CV     1
 ASSI {  754}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 15   and name HE% )
      6.000     4.800     0.000 peak   754 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.643 ppm2      6.665 CV     1
 ASSI {  757}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 15   and name HD% )
      2.400     1.000     1.000 peak   757 spectrum    1 weight  0.10000E+01 volume  0.12620E-01 ppm1      3.101 ppm2      6.878 CV     1
 ASSI {  758}
   (( segid "    " and resid 15   and name HB3 ))
   (  segid "    " and resid 15   and name HE% )
      4.600     3.000     1.400 peak   758 spectrum    1 weight  0.10000E+01 volume  0.11377E-02 ppm1      3.101 ppm2      6.665 CV     1
 ASSI {  759}
   (  segid "    " and resid 15   and name HE% )
   (  segid "    " and resid 15   and name HD% )
      1.800     0.700     0.700 peak   759 spectrum    1 weight  0.10000E+01 volume  0.53346E-01 ppm1      6.672 ppm2      6.881 CV     1
 ASSI {  761}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 18   and name HD% )
      2.300     1.000     1.000 peak   761 spectrum    1 weight  0.10000E+01 volume  0.14914E-01 ppm1      2.569 ppm2      6.729 CV     1
 ASSI {  762}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 18   and name HE% )
      3.900     2.200     2.100 peak   762 spectrum    1 weight  0.10000E+01 volume  0.35278E-02 ppm1      2.571 ppm2      6.520 CV     1
 ASSI {  763}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 18   and name HD% )
      2.300     0.900     0.900 peak   763 spectrum    1 weight  0.10000E+01 volume  0.16922E-01 ppm1      2.707 ppm2      6.727 CV     1
 ASSI {  764}
   (( segid "    " and resid 18   and name HB3 ))
   (  segid "    " and resid 18   and name HE% )
      5.000     3.400     1.000 peak   764 spectrum    1 weight  0.10000E+01 volume  0.80402E-03 ppm1      2.707 ppm2      6.520 CV     1
 ASSI {  765}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HD% )
      2.800     1.300     1.300 peak   765 spectrum    1 weight  0.10000E+01 volume  0.51533E-02 ppm1      4.653 ppm2      6.729 CV     1
 ASSI {  766}
   (( segid "    " and resid 18   and name HA  ))
   (  segid "    " and resid 18   and name HE% )
      6.000     4.800     0.000 peak   766 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.655 ppm2      6.523 CV     1
 ASSI {  767}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 18   and name HN  ))
      3.100     1.500     1.500 peak   767 spectrum    1 weight  0.10000E+01 volume  0.49619E-02 ppm1      6.731 ppm2      9.472 CV     1
 ASSI {  768}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HD21))
      6.000     4.800     0.000 peak   768 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.759 ppm2      7.526 CV     1
 ASSI {  769}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HD21))
      6.000     4.800     0.000 peak   769 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.840 ppm2      7.529 CV     1
 ASSI {  770}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HD22))
      6.000     4.800     0.000 peak   770 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.759 ppm2      6.852 CV     1
 ASSI {  771}
   (( segid "    " and resid 56   and name HB3 ))
   (( segid "    " and resid 56   and name HD22))
      6.000     4.800     0.000 peak   771 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.842 ppm2      6.852 CV     1
 ASSI {  772}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HD21))
      6.000     4.800     0.000 peak   772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.736 ppm2      7.529 CV     1
 ASSI {  773}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HD22))
      6.000     4.800     0.000 peak   773 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.736 ppm2      6.852 CV     1
 ASSI {  774}
   (( segid "    " and resid 56   and name HD22))
   (( segid "    " and resid 56   and name HD21))
      6.000     4.800     0.000 peak   774 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.855 ppm2      7.529 CV     1
 ASSI {  775}
   (( segid "    " and resid 56   and name HD22))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.800     0.000 peak   775 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.855 ppm2      8.397 CV     1
 ASSI {  776}
   (( segid "    " and resid 56   and name HD21))
   (( segid "    " and resid 56   and name HN  ))
      6.000     4.800     0.000 peak   776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.533 ppm2      8.397 CV     1
 ASSI {  778}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HD21))
      6.000     4.800     0.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.735 ppm2      7.364 CV     1
 ASSI {  780}
   (( segid "    " and resid 62   and name HB3 ))
   (( segid "    " and resid 62   and name HD22))
      6.000     4.800     0.000 peak   780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.733 ppm2      7.021 CV     1
 ASSI {  781}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HD22))
      6.000     4.800     0.000 peak   781 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.618 ppm2      7.025 CV     1
 ASSI {  782}
   (( segid "    " and resid 62   and name HD21))
   (( segid "    " and resid 62   and name HD22))
      1.600     0.600     0.600 peak   782 spectrum    1 weight  0.10000E+01 volume  0.78300E-01 ppm1      7.370 ppm2      7.023 CV     1
 ASSI {  785}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      6.000     4.800     0.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.562 ppm2      8.141 CV     1
 ASSI {  786}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 3    and name HN  ))
      3.100     1.500     1.500 peak   786 spectrum    1 weight  0.10000E+01 volume  0.62718E-02 ppm1      1.226 ppm2      8.141 CV     1
 ASSI {  787}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      6.000     4.800     0.000 peak   787 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.143 ppm2      8.618 CV     1
 ASSI {  788}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.800     0.000 peak   788 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.013 ppm2      8.374 CV     1
 ASSI {  789}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.800     0.000 peak   789 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.400 ppm2      8.374 CV     1
 OR {  789}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  790}
   (( segid "    " and resid 48   and name HE2 ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.800     0.000 peak   790 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.818 ppm2      8.371 CV     1
 ASSI {  791}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.800     0.000 peak   791 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.024 ppm2      8.374 CV     1
 ASSI {  792}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.800     0.000 peak   792 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.226 ppm2      8.374 CV     1
 ASSI {  793}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.800     0.000 peak   793 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.565 ppm2      8.307 CV     1
 ASSI {  794}
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      4.500     2.800     1.500 peak   794 spectrum    1 weight  0.10000E+01 volume  0.12142E-02 ppm1      2.570 ppm2      8.304 CV     1
 ASSI {  795}
   (( segid "    " and resid 49   and name HB3 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.800     0.000 peak   795 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.728 ppm2      8.307 CV     1
 ASSI {  796}
   (( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      6.000     4.800     0.000 peak   796 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.700 ppm2      7.790 CV     1
 ASSI {  797}
   (( segid "    " and resid 50   and name HB3 ))
   (( segid "    " and resid 51   and name HN  ))
      6.000     4.800     0.000 peak   797 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.783 ppm2      7.790 CV     1
 ASSI {  798}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.900     1.400     1.400 peak   798 spectrum    1 weight  0.10000E+01 volume  0.59083E-02 ppm1      4.719 ppm2      7.790 CV     1
 ASSI {  799}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.800     1.300     1.300 peak   799 spectrum    1 weight  0.10000E+01 volume  0.59753E-02 ppm1      8.307 ppm2      7.788 CV     1
 ASSI {  800}
   (  segid "    " and resid 51   and name HG1%)
   (( segid "    " and resid 52   and name HN  ))
      6.000     4.800     0.000 peak   800 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.825 ppm2      8.196 CV     1
 OR {  800}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  801}
   (( segid "    " and resid 51   and name HB  ))
   (( segid "    " and resid 52   and name HN  ))
      3.400     1.700     1.700 peak   801 spectrum    1 weight  0.10000E+01 volume  0.35947E-02 ppm1      2.045 ppm2      8.193 CV     1
 ASSI {  803}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      4.100     2.400     1.900 peak   803 spectrum    1 weight  0.10000E+01 volume  0.17974E-02 ppm1      8.197 ppm2      7.790 CV     1
 ASSI {  805}
   (( segid "    " and resid 52   and name HB  ))
   (( segid "    " and resid 53   and name HN  ))
      3.400     1.700     1.700 peak   805 spectrum    1 weight  0.10000E+01 volume  0.25431E-02 ppm1      4.125 ppm2      8.364 CV     1
 ASSI {  806}
   (  segid "    " and resid 52   and name HG2%)
   (( segid "    " and resid 53   and name HN  ))
      3.700     2.000     2.000 peak   806 spectrum    1 weight  0.10000E+01 volume  0.37382E-02 ppm1      1.119 ppm2      8.364 CV     1
 ASSI {  807}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      6.000     4.800     0.000 peak   807 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.622 ppm2      1.995 CV     1
 ASSI {  808}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB3 ))
      2.900     1.300     1.300 peak   808 spectrum    1 weight  0.10000E+01 volume  0.40058E-02 ppm1      4.611 ppm2      2.096 CV     1
 ASSI {  809}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG3 ))
      6.000     4.800     0.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.623 ppm2      2.377 CV     1
 OR {  809}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI {  810}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HZ% )
      6.000     4.800     0.000 peak   810 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.023 ppm2      7.450 CV     1
 ASSI {  811}
   (( segid "    " and resid 48   and name HD2 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.800     0.000 peak   811 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.402 ppm2      8.228 CV     1
 OR {  811}
   (( segid "    " and resid 48   and name HD3 ))
   (( segid "    " and resid 48   and name HN  ))
 ASSI {  812}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.800     0.000 peak   812 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.018 ppm2      8.226 CV     1
 ASSI {  813}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.800     0.000 peak   813 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.990 ppm2      8.226 CV     1
 ASSI {  814}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 48   and name HB3 ))
      6.000     4.800     0.000 peak   814 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.020 ppm2      1.398 CV     1
 OR {  814}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 48   and name HB2 ))
 ASSI {  815}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.800     0.000 peak   815 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.994 ppm2      1.399 CV     1
 OR {  815}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 48   and name HB3 ))
 ASSI {  816}
   (( segid "    " and resid 48   and name HE2 ))
   (( segid "    " and resid 48   and name HD2 ))
      2.500     1.100     1.100 peak   816 spectrum    1 weight  0.10000E+01 volume  0.10516E-01 ppm1      2.819 ppm2      1.398 CV     1
 OR {  816}
   (( segid "    " and resid 48   and name HE2 ))
   (( segid "    " and resid 48   and name HD3 ))
 ASSI {  817}
   (( segid "    " and resid 48   and name HE2 ))
   (( segid "    " and resid 48   and name HG2 ))
      6.000     4.800     0.000 peak   817 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.820 ppm2      0.985 CV     1
 ASSI {  818}
   (( segid "    " and resid 48   and name HE2 ))
   (( segid "    " and resid 48   and name HG3 ))
      6.000     4.800     0.000 peak   818 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.815 ppm2      1.017 CV     1
 ASSI {  819}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HG2 ))
      6.000     4.800     0.000 peak   819 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.019 ppm2      0.988 CV     1
 ASSI {  820}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.600     1.200     1.200 peak   820 spectrum    1 weight  0.10000E+01 volume  0.73903E-02 ppm1      4.020 ppm2      1.399 CV     1
 OR {  820}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB3 ))
 ASSI {  821}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HG3 ))
      6.000     4.800     0.000 peak   821 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.023 ppm2      1.017 CV     1
 ASSI {  822}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.800     0.000 peak   822 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.341 ppm2      8.201 CV     1
 ASSI {  823}
   (( segid "    " and resid 54   and name HB  ))
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.800     0.000 peak   823 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.239 ppm2      8.201 CV     1
 ASSI {  824}
   (  segid "    " and resid 54   and name HG2%)
   (( segid "    " and resid 54   and name HN  ))
      6.000     4.800     0.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.123 ppm2      8.201 CV     1
 ASSI {  825}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB  ))
      6.000     4.800     0.000 peak   825 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.339 ppm2      4.232 CV     1
 ASSI {  826}
   (( segid "    " and resid 54   and name HB  ))
   (  segid "    " and resid 54   and name HG2%)
      2.700     1.200     1.200 peak   826 spectrum    1 weight  0.10000E+01 volume  0.88053E-02 ppm1      4.241 ppm2      1.123 CV     1
 ASSI {  827}
   (( segid "    " and resid 54   and name HA  ))
   (  segid "    " and resid 54   and name HG2%)
      6.000     4.800     0.000 peak   827 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.341 ppm2      1.123 CV     1
 ASSI {  830}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HG13))
      6.000     4.800     0.000 peak   830 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.654 ppm2      1.031 CV     1
 ASSI {  831}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 60   and name HG2%)
      6.000     4.800     0.000 peak   831 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.655 ppm2      0.701 CV     1
 ASSI {  832}
   (( segid "    " and resid 60   and name HG13))
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.800     0.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.036 ppm2      0.697 CV     1
 ASSI {  833}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HB  ))
      6.000     4.800     0.000 peak   833 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.794 ppm2      1.659 CV     1
 ASSI {  834}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
      2.600     1.200     1.200 peak   834 spectrum    1 weight  0.10000E+01 volume  0.12046E-01 ppm1      4.793 ppm2      0.700 CV     1
 ASSI {  835}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HG13))
      2.700     1.200     1.200 peak   835 spectrum    1 weight  0.10000E+01 volume  0.65298E-02 ppm1      4.797 ppm2      1.031 CV     1
 ASSI {  836}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.800     0.000 peak   836 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.486 ppm2      8.193 CV     1
 ASSI {  838}
   (( segid "    " and resid 59   and name HB3 ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.800     0.000 peak   838 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.405 ppm2      8.193 CV     1
 ASSI {  839}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.800     0.000 peak   839 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.379 ppm2      8.193 CV     1
 ASSI {  840}
   (  segid "    " and resid 59   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.800     0.000 peak   840 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.745 ppm2      8.193 CV     1
 ASSI {  841}
   (  segid "    " and resid 59   and name HD2%)
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.800     0.000 peak   841 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.774 ppm2      8.193 CV     1
 ASSI {  843}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.800     0.000 peak   843 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.699 ppm2      8.197 CV     1
 ASSI {  844}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.800     0.000 peak   844 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.198 ppm2      8.462 CV     1
 ASSI {  845}
   (( segid "    " and resid 60   and name HG13))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.800     0.000 peak   845 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.024 ppm2      8.195 CV     1
 ASSI {  846}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HN  ))
      2.400     1.000     1.000 peak   846 spectrum    1 weight  0.10000E+01 volume  0.13863E-01 ppm1      1.660 ppm2      8.195 CV     1
 ASSI {  847}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.800     0.000 peak   847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.658 ppm2      8.801 CV     1
 ASSI {  848}
   (( segid "    " and resid 60   and name HG13))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.800     0.000 peak   848 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.024 ppm2      8.801 CV     1
 ASSI {  849}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.800     0.000 peak   849 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.793 ppm2      8.803 CV     1
 ASSI {  850}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.800     0.000 peak   850 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.200 ppm2      8.803 CV     1
 ASSI {  851}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 21   and name HE22))
      5.200     3.600     0.800 peak   851 spectrum    1 weight  0.10000E+01 volume  0.57174E-03 ppm1      2.382 ppm2      6.797 CV     1
 OR {  851}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 21   and name HE22))
 ASSI {  853}
   (( segid "    " and resid 21   and name HE22))
   (( segid "    " and resid 21   and name HE21))
      1.600     0.600     0.600 peak   853 spectrum    1 weight  0.10000E+01 volume  0.82793E-01 ppm1      6.804 ppm2      7.475 CV     1
 ASSI {  854}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HE22))
      6.000     4.800     0.000 peak   854 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.829 ppm2      6.694 CV     1
 ASSI {  855}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 39   and name HE21))
      6.000     4.800     0.000 peak   855 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.831 ppm2      7.318 CV     1
 ASSI {  856}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HE21))
      6.000     4.800     0.000 peak   856 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.242 ppm2      7.320 CV     1
 ASSI {  857}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HE21))
      6.000     4.800     0.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.159 ppm2      7.318 CV     1
 ASSI {  858}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HE21))
      6.000     4.800     0.000 peak   858 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.875 ppm2      7.318 CV     1
 ASSI {  859}
   (( segid "    " and resid 39   and name HB2 ))
   (( segid "    " and resid 39   and name HE21))
      6.000     4.800     0.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.704 ppm2      7.318 CV     1
 ASSI {  860}
   (( segid "    " and resid 39   and name HB3 ))
   (( segid "    " and resid 39   and name HE22))
      6.000     4.800     0.000 peak   860 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.873 ppm2      6.692 CV     1
 ASSI {  861}
   (( segid "    " and resid 39   and name HG2 ))
   (( segid "    " and resid 39   and name HE22))
      6.000     4.800     0.000 peak   861 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.161 ppm2      6.694 CV     1
 ASSI {  862}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 39   and name HE22))
      6.000     4.800     0.000 peak   862 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.242 ppm2      6.694 CV     1
 ASSI {  863}
   (( segid "    " and resid 39   and name HE22))
   (( segid "    " and resid 39   and name HE21))
      1.600     0.600     0.600 peak   863 spectrum    1 weight  0.10000E+01 volume  0.69121E-01 ppm1      6.698 ppm2      7.318 CV     1
 ASSI {  864}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HD21))
      6.000     4.800     0.000 peak   864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.713 ppm2      7.525 CV     1
 ASSI {  865}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HD21))
      6.000     4.800     0.000 peak   865 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.825 ppm2      7.525 CV     1
 ASSI {  866}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HD22))
      6.000     4.800     0.000 peak   866 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.698 ppm2      6.828 CV     1
 ASSI {  867}
   (( segid "    " and resid 53   and name HB3 ))
   (( segid "    " and resid 53   and name HD22))
      6.000     4.800     0.000 peak   867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.825 ppm2      6.829 CV     1
 ASSI {  868}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HD21))
      6.000     4.800     0.000 peak   868 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.777 ppm2      7.525 CV     1
 ASSI {  869}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HD22))
      6.000     4.800     0.000 peak   869 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.775 ppm2      6.827 CV     1
 ASSI {  870}
   (( segid "    " and resid 53   and name HD22))
   (( segid "    " and resid 53   and name HD21))
      6.000     4.800     0.000 peak   870 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.826 ppm2      7.525 CV     1
 ASSI {  872}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.800     0.000 peak   872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.936 ppm2      8.153 CV     1
 ASSI {  873}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB3 ))
      3.200     1.600     1.600 peak   873 spectrum    1 weight  0.10000E+01 volume  0.46751E-02 ppm1      4.492 ppm2      3.937 CV     1
 ASSI {  874}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 38   and name HB2 ))
      6.000     4.800     0.000 peak   874 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.941 ppm2      3.798 CV     1
 ASSI {  875}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HB2 ))
      6.000     4.800     0.000 peak   875 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.496 ppm2      3.799 CV     1
 ASSI {  878}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 29   and name HN  ))
      3.500     1.800     1.800 peak   878 spectrum    1 weight  0.10000E+01 volume  0.43596E-02 ppm1      1.184 ppm2      8.766 CV     1
 ASSI {  879}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.800     0.000 peak   879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.701 ppm2      8.767 CV     1
 ASSI {  880}
   (  segid "    " and resid 29   and name HD2%)
   (  segid "    " and resid 29   and name HD1%)
      6.000     4.800     0.000 peak   880 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.182 ppm2      0.702 CV     1
 ASSI {  881}
   (( segid "    " and resid 29   and name HG  ))
   (  segid "    " and resid 29   and name HD1%)
      6.000     4.800     0.000 peak   881 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.489 ppm2      0.700 CV     1
 ASSI {  882}
   (( segid "    " and resid 29   and name HB2 ))
   (  segid "    " and resid 29   and name HD1%)
      6.000     4.800     0.000 peak   882 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.697 ppm2      0.703 CV     1
 OR {  882}
   (( segid "    " and resid 29   and name HB3 ))
   (  segid "    " and resid 29   and name HD1%)
 ASSI {  886}
   (( segid "    " and resid 29   and name HA  ))
   (( segid "    " and resid 29   and name HG  ))
      3.000     1.400     1.400 peak   886 spectrum    1 weight  0.10000E+01 volume  0.49236E-02 ppm1      4.636 ppm2      1.491 CV     1
 ASSI {  887}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 29   and name HD1%)
      6.000     4.800     0.000 peak   887 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.634 ppm2      0.703 CV     1
 ASSI {  888}
   (( segid "    " and resid 29   and name HA  ))
   (  segid "    " and resid 29   and name HD2%)
      6.000     4.800     0.000 peak   888 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.636 ppm2      1.176 CV     1
 ASSI {  889}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HD3 ))
      6.000     4.800     0.000 peak   889 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.790 ppm2      3.647 CV     1
 ASSI {  890}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HD2 ))
      2.200     0.900     0.900 peak   890 spectrum    1 weight  0.10000E+01 volume  0.15583E-01 ppm1      4.792 ppm2      3.560 CV     1
 ASSI {  891}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HN  ))
      6.000     4.800     0.000 peak   891 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      8.199 CV     1
 ASSI {  892}
   (( segid "    " and resid 60   and name HG12))
   (  segid "    " and resid 60   and name HD1%)
      6.000     4.800     0.000 peak   892 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.418 ppm2      0.701 CV     1
 ASSI {  893}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HG13))
      6.000     4.800     0.000 peak   893 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.420 ppm2      1.035 CV     1
 ASSI {  894}
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 60   and name HG12))
      6.000     4.800     0.000 peak   894 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.794 ppm2      1.415 CV     1
 ASSI {  895}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG3 ))
      6.000     4.800     0.000 peak   895 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.821 ppm2      1.220 CV     1
 ASSI {  896}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      6.000     4.800     0.000 peak   896 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.821 ppm2      1.687 CV     1
 OR {  896}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB3 ))
 ASSI {  897}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HB2 ))
      6.000     4.800     0.000 peak   897 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.293 ppm2      1.893 CV     1
 ASSI {  898}
   (( segid "    " and resid 63   and name HA  ))
   (  segid "    " and resid 63   and name HB% )
      2.300     1.000     1.000 peak   898 spectrum    1 weight  0.10000E+01 volume  0.19312E-01 ppm1      3.770 ppm2      1.317 CV     1
 ASSI {  899}
   (  segid "    " and resid 35   and name HG1%)
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.800     0.000 peak   899 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.849 ppm2      8.612 CV     1
 ASSI {  900}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      1.900     0.800     0.800 peak   900 spectrum    1 weight  0.10000E+01 volume  0.32219E-01 ppm1      3.929 ppm2      8.612 CV     1
 ASSI {  901}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.800     0.000 peak   901 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.837 ppm2      8.612 CV     1
 ASSI {  902}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.800     0.000 peak   902 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.699 ppm2      8.802 CV     1
 ASSI {  903}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.800     0.000 peak   903 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.700 ppm2      8.802 CV     1
 ASSI {  904}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
      3.600     1.900     1.900 peak   904 spectrum    1 weight  0.10000E+01 volume  0.22372E-02 ppm1      1.323 ppm2      9.837 CV     1
 ASSI {  905}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.800     0.000 peak   905 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.178 ppm2      9.837 CV     1
 ASSI {  906}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 19   and name HN  ))
      4.100     2.400     1.900 peak   906 spectrum    1 weight  0.10000E+01 volume  0.26578E-02 ppm1      0.899 ppm2      9.000 CV     1
 ASSI {  907}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.800     0.000 peak   907 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.987 ppm2      8.303 CV     1
 ASSI {  909}
   (( segid "    " and resid 65   and name HB3 ))
   (( segid "    " and resid 48   and name HN  ))
      2.900     1.300     1.300 peak   909 spectrum    1 weight  0.10000E+01 volume  0.39772E-02 ppm1      3.150 ppm2      8.223 CV     1
 ASSI {  910}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.300     1.600     1.600 peak   910 spectrum    1 weight  0.10000E+01 volume  0.30785E-02 ppm1      3.689 ppm2      9.837 CV     1
 OR {  910}
   (( segid "    " and resid 43   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  911}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      4.100     2.400     1.900 peak   911 spectrum    1 weight  0.10000E+01 volume  0.28395E-02 ppm1      3.362 ppm2      8.147 CV     1
 ASSI {  912}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.500     1.100     1.100 peak   912 spectrum    1 weight  0.10000E+01 volume  0.95603E-02 ppm1      7.133 ppm2      9.375 CV     1
 ASSI {  914}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.100     1.500     1.500 peak   914 spectrum    1 weight  0.10000E+01 volume  0.38624E-02 ppm1      8.326 ppm2      9.836 CV     1
 ASSI {  915}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      3.600     1.900     1.900 peak   915 spectrum    1 weight  0.10000E+01 volume  0.18165E-02 ppm1      8.788 ppm2      8.461 CV     1
 ASSI {  917}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.600     1.600 peak   917 spectrum    1 weight  0.10000E+01 volume  0.28108E-02 ppm1      6.528 ppm2      8.651 CV     1
 ASSI {  918}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      3.900     2.200     2.100 peak   918 spectrum    1 weight  0.10000E+01 volume  0.22467E-02 ppm1      0.613 ppm2      8.087 CV     1
 ASSI {  919}
   (  segid "    " and resid 12   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      4.600     2.900     1.400 peak   919 spectrum    1 weight  0.10000E+01 volume  0.16348E-02 ppm1      0.798 ppm2      7.971 CV     1
 ASSI {  920}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.800     0.000 peak   920 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.242 ppm2      7.972 CV     1
 ASSI {  921}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 34   and name HN  ))
      4.700     3.000     1.300 peak   921 spectrum    1 weight  0.10000E+01 volume  0.10039E-02 ppm1      1.611 ppm2      8.087 CV     1
 ASSI {  922}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      4.500     2.800     1.500 peak   922 spectrum    1 weight  0.10000E+01 volume  0.11951E-02 ppm1      4.252 ppm2      7.870 CV     1
 ASSI {  925}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.700     2.000     2.000 peak   925 spectrum    1 weight  0.10000E+01 volume  0.13194E-02 ppm1      7.560 ppm2      8.827 CV     1
 ASSI {  926}
   (( segid "    " and resid 56   and name HD21))
   (( segid "    " and resid 55   and name HN  ))
      6.000     4.800     0.000 peak   926 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.533 ppm2      8.352 CV     1
 ASSI {  929}
   (  segid "    " and resid 67   and name HG2%)
   (  segid "    " and resid 15   and name HD% )
      6.000     4.800     0.000 peak   929 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.804 ppm2      6.880 CV     1
 ASSI {  931}
   (  segid "    " and resid 33   and name HG2%)
   (  segid "    " and resid 18   and name HD% )
      6.000     4.800     0.000 peak   931 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.908 ppm2      6.728 CV     1
 ASSI {  933}
   (( segid "    " and resid 48   and name HG2 ))
   (  segid "    " and resid 15   and name HD% )
      6.000     4.800     0.000 peak   933 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.989 ppm2      6.877 CV     1
 ASSI {  934}
   (( segid "    " and resid 48   and name HG2 ))
   (  segid "    " and resid 15   and name HE% )
      6.000     4.800     0.000 peak   934 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.990 ppm2      6.669 CV     1
 ASSI {  935}
   (( segid "    " and resid 48   and name HB3 ))
   (  segid "    " and resid 15   and name HD% )
      6.000     4.800     0.000 peak   935 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.410 ppm2      6.880 CV     1
 ASSI {  936}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 18   and name HD% )
      6.000     4.800     0.000 peak   936 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.380 ppm2      6.730 CV     1
 ASSI {  937}
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 15   and name HE% )
      2.800     1.300     1.300 peak   937 spectrum    1 weight  0.10000E+01 volume  0.57265E-02 ppm1      1.414 ppm2      6.669 CV     1
 OR {  937}
   (( segid "    " and resid 48   and name HB3 ))
   (  segid "    " and resid 15   and name HE% )
 ASSI {  938}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 18   and name HE% )
      6.000     4.800     0.000 peak   938 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.380 ppm2      6.523 CV     1
 ASSI {  939}
   (( segid "    " and resid 16   and name HG3 ))
   (  segid "    " and resid 18   and name HE% )
      2.400     1.000     1.000 peak   939 spectrum    1 weight  0.10000E+01 volume  0.93024E-02 ppm1      1.630 ppm2      6.523 CV     1
 ASSI {  940}
   (( segid "    " and resid 16   and name HB3 ))
   (  segid "    " and resid 18   and name HE% )
      4.500     2.800     1.500 peak   940 spectrum    1 weight  0.10000E+01 volume  0.68263E-03 ppm1      1.743 ppm2      6.523 CV     1
 OR {  940}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 18   and name HE% )
 ASSI {  942}
   (( segid "    " and resid 48   and name HE2 ))
   (  segid "    " and resid 15   and name HE% )
      6.000     4.800     0.000 peak   942 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.816 ppm2      6.667 CV     1
 ASSI {  943}
   (( segid "    " and resid 47   and name HB3 ))
   (  segid "    " and resid 18   and name HD% )
      3.000     1.400     1.400 peak   943 spectrum    1 weight  0.10000E+01 volume  0.10421E-01 ppm1      2.983 ppm2      6.729 CV     1
 ASSI {  945}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 18   and name HD% )
      2.400     1.000     1.000 peak   945 spectrum    1 weight  0.10000E+01 volume  0.12428E-01 ppm1      3.370 ppm2      6.728 CV     1
 ASSI {  946}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 18   and name HE% )
      2.900     1.400     1.400 peak   946 spectrum    1 weight  0.10000E+01 volume  0.42640E-02 ppm1      3.370 ppm2      6.521 CV     1
 ASSI {  947}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 15   and name HD% )
      3.100     1.500     1.500 peak   947 spectrum    1 weight  0.10000E+01 volume  0.28777E-02 ppm1      4.021 ppm2      6.879 CV     1
 ASSI {  948}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 18   and name HD% )
      3.400     1.800     1.800 peak   948 spectrum    1 weight  0.10000E+01 volume  0.23423E-02 ppm1      5.204 ppm2      6.728 CV     1
 ASSI {  949}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 18   and name HD% )
      3.400     1.800     1.800 peak   949 spectrum    1 weight  0.10000E+01 volume  0.23519E-02 ppm1      5.497 ppm2      6.728 CV     1
 ASSI {  952}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 15   and name HE% )
      3.300     1.600     1.600 peak   952 spectrum    1 weight  0.10000E+01 volume  0.25526E-02 ppm1      8.745 ppm2      6.667 CV     1
 ASSI {  953}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HD% )
      3.300     1.700     1.700 peak   953 spectrum    1 weight  0.10000E+01 volume  0.32984E-02 ppm1      9.011 ppm2      6.731 CV     1
 ASSI {  958}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 66   and name HA  ))
      4.300     2.600     1.700 peak   958 spectrum    1 weight  0.10000E+01 volume  0.92735E-03 ppm1      6.884 ppm2      5.619 CV     1
 ASSI {  959}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 66   and name HA  ))
      3.400     1.700     1.700 peak   959 spectrum    1 weight  0.10000E+01 volume  0.22372E-02 ppm1      6.671 ppm2      5.617 CV     1
 ASSI {  960}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      3.100     1.500     1.500 peak   960 spectrum    1 weight  0.10000E+01 volume  0.46081E-02 ppm1      1.939 ppm2      5.204 CV     1
 ASSI {  962}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB  ))
      3.800     2.100     2.100 peak   962 spectrum    1 weight  0.10000E+01 volume  0.12811E-02 ppm1      8.198 ppm2      4.126 CV     1
 ASSI {  964}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      3.000     1.400     1.400 peak   964 spectrum    1 weight  0.10000E+01 volume  0.16157E-01 ppm1      7.978 ppm2      3.094 CV     1
 ASSI {  966}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 48   and name HA  ))
      3.400     1.800     1.800 peak   966 spectrum    1 weight  0.10000E+01 volume  0.17687E-02 ppm1      4.637 ppm2      4.016 CV     1
 ASSI {  967}
   (( segid "    " and resid 6    and name HA2 ))
   (( segid "    " and resid 7    and name HD3 ))
      6.000     4.800     0.000 peak   967 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.650 ppm2      3.684 CV     1
 ASSI {  968}
   (( segid "    " and resid 6    and name HA1 ))
   (( segid "    " and resid 7    and name HD2 ))
      2.500     1.100     1.100 peak   968 spectrum    1 weight  0.10000E+01 volume  0.71893E-02 ppm1      3.951 ppm2      3.477 CV     1
 ASSI {  974}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HG2 ))
      1.900     0.800     0.800 peak   974 spectrum    1 weight  0.10000E+01 volume  0.12238E-01 ppm1      1.618 ppm2      2.172 CV     1
 ASSI {  976}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG2 ))
      3.000     1.400     1.400 peak   976 spectrum    1 weight  0.10000E+01 volume  0.55453E-02 ppm1      8.569 ppm2      2.417 CV     1
 OR {  976}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG3 ))
 ASSI {  977}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.300     1.000     1.000 peak   977 spectrum    1 weight  0.10000E+01 volume  0.14340E-01 ppm1      8.983 ppm2      2.560 CV     1
 ASSI {  978}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      2.300     1.000     1.000 peak   978 spectrum    1 weight  0.10000E+01 volume  0.14914E-01 ppm1      8.697 ppm2      2.742 CV     1
 OR {  978}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB3 ))
 ASSI {  979}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB3 ))
      3.100     1.500     1.500 peak   979 spectrum    1 weight  0.10000E+01 volume  0.70938E-02 ppm1      9.513 ppm2      2.979 CV     1
 ASSI {  980}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG3 ))
      4.800     3.200     1.200 peak   980 spectrum    1 weight  0.10000E+01 volume  0.17018E-02 ppm1      9.480 ppm2      1.611 CV     1
 ASSI {  983}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 16   and name HB2 ))
      3.200     1.600     1.600 peak   983 spectrum    1 weight  0.10000E+01 volume  0.22180E-02 ppm1      6.527 ppm2      1.741 CV     1
 ASSI {  984}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 35   and name HB  ))
      2.400     1.000     1.000 peak   984 spectrum    1 weight  0.10000E+01 volume  0.80118E-02 ppm1      3.807 ppm2      1.834 CV     1
 ASSI {  985}
   (  segid "    " and resid 9    and name HG2%)
   (  segid "    " and resid 5    and name HG2%)
      3.200     1.600     1.600 peak   985 spectrum    1 weight  0.10000E+01 volume  0.44074E-02 ppm1      1.218 ppm2      0.633 CV     1
 ASSI {  989}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 5    and name HG2%)
      2.500     1.100     1.100 peak   989 spectrum    1 weight  0.10000E+01 volume  0.10421E-01 ppm1      3.360 ppm2      0.633 CV     1
 ASSI {  992}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 36   and name HG12))
      3.300     1.600     1.600 peak   992 spectrum    1 weight  0.10000E+01 volume  0.47133E-02 ppm1      4.257 ppm2      0.743 CV     1
 ASSI {  995}
   (  segid "    " and resid 15   and name HD% )
   (  segid "    " and resid 67   and name HG1%)
      3.400     1.800     1.800 peak   995 spectrum    1 weight  0.10000E+01 volume  0.27247E-02 ppm1      6.881 ppm2      0.647 CV     1
 ASSI {  997}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.800     0.000 peak   997 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.223 ppm2      1.398 CV     1
 OR {  997}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB3 ))
 ASSI {  998}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      3.600     1.900     1.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.28968E-02 ppm1      8.197 ppm2      0.699 CV     1
 ASSI { 1002}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 5    and name HG2%)
      3.200     1.600     1.600 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.36139E-02 ppm1      3.923 ppm2      0.635 CV     1
 ASSI { 1004}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 15   and name HB2 ))
      2.200     0.900     0.900 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.15870E-01 ppm1      6.881 ppm2      2.390 CV     1
 ASSI { 1005}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 37   and name HA1 ))
      3.500     1.900     1.900 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.15966E-02 ppm1      0.955 ppm2      3.524 CV     1
 ASSI { 1006}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 65   and name HB3 ))
      6.000     4.800     0.000 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.017 ppm2      3.147 CV     1
 ASSI { 1007}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.800     0.000 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.241 ppm2      8.487 CV     1
 ASSI { 1008}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.800     0.000 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.268 ppm2      8.487 CV     1
 ASSI { 1011}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 18   and name HE% )
      5.000     3.400     1.000 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.58509E-03 ppm1      5.494 ppm2      6.525 CV     1
 ASSI { 1015}
   (  segid "    " and resid 15   and name HD% )
   (  segid "    " and resid 12   and name HD1%)
      4.100     2.400     1.900 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.95603E-03 ppm1      6.883 ppm2      0.455 CV     1
 ASSI { 1017}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 12   and name HB  ))
      6.000     4.800     0.000 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.880 ppm2      1.266 CV     1
 ASSI { 1018}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 12   and name HG13))
      6.000     4.800     0.000 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.882 ppm2      1.242 CV     1
 ASSI { 1019}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.800     0.000 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.268 ppm2      7.968 CV     1
 ASSI { 1020}
   (  segid "    " and resid 15   and name HE% )
   (  segid "    " and resid 67   and name HG1%)
      2.700     1.200     1.200 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.75239E-02 ppm1      6.670 ppm2      0.646 CV     1
 ASSI { 1021}
   (  segid "    " and resid 15   and name HE% )
   (  segid "    " and resid 67   and name HG2%)
      3.000     1.500     1.500 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.46751E-02 ppm1      6.672 ppm2      0.797 CV     1
 ASSI { 1022}
   (  segid "    " and resid 15   and name HE% )
   (  segid "    " and resid 12   and name HD1%)
      3.400     1.700     1.700 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.79732E-03 ppm1      6.670 ppm2      0.456 CV     1
 ASSI { 1023}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      4.300     2.600     1.700 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.70080E-03 ppm1      8.980 ppm2      8.428 CV     1
 ASSI { 1024}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      4.600     3.000     1.400 peak  1024 spectrum    1 weight  0.10000E+01 volume  0.38051E-03 ppm1      4.255 ppm2      7.557 CV     1
 ASSI { 1025}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 65   and name HB3 ))
      6.000     4.800     0.000 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.986 ppm2      3.146 CV     1
 ASSI { 1026}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      4.800     3.200     1.200 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.57078E-03 ppm1      8.226 ppm2      9.515 CV     1
 ASSI { 1027}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      4.600     2.900     1.400 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.43500E-03 ppm1      8.094 ppm2      9.473 CV     1
 ASSI { 1028}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      5.800     4.400     0.200 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.14150E-03 ppm1      3.371 ppm2      9.476 CV     1
 ASSI { 1030}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 18   and name HN  ))
      5.800     4.500     0.200 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.32888E-03 ppm1      2.166 ppm2      9.473 CV     1
 ASSI { 1031}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      5.100     3.500     0.900 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.49906E-03 ppm1      8.902 ppm2      9.843 CV     1
 ASSI { 1032}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      5.100     3.500     0.900 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.37764E-03 ppm1      8.784 ppm2      9.838 CV     1
 ASSI { 1033}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.800     0.000 peak  1033 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.136 ppm2      9.838 CV     1
 ASSI { 1034}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 20   and name HN  ))
      4.600     2.900     1.400 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.76386E-03 ppm1      3.011 ppm2      9.838 CV     1
 ASSI { 1035}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      5.200     3.700     0.800 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.32506E-03 ppm1      2.572 ppm2      9.838 CV     1
 ASSI { 1036}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      5.100     3.600     0.900 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.34131E-03 ppm1      3.832 ppm2      9.035 CV     1
 ASSI { 1038}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.800     0.000 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.605 ppm2      9.038 CV     1
 ASSI { 1040}
   (( segid "    " and resid 34   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.800     0.000 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.043 ppm2      9.001 CV     1
 ASSI { 1041}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.800     0.000 peak  1041 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.183 ppm2      9.002 CV     1
 ASSI { 1042}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     4.800     0.000 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.396 ppm2      8.971 CV     1
 ASSI { 1043}
   (( segid "    " and resid 39   and name HG3 ))
   (( segid "    " and resid 40   and name HN  ))
      6.000     5.300     0.000 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.16635E-03 ppm1      2.239 ppm2      8.970 CV     1
 ASSI { 1047}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.800     0.000 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.685 ppm2      8.828 CV     1
 ASSI { 1048}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.800     0.000 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.479 ppm2      8.828 CV     1
 ASSI { 1049}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      6.000     4.800     0.000 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.127 ppm2      8.485 CV     1
 ASSI { 1053}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      6.000     4.800     0.000 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.935 ppm2      8.088 CV     1
 ASSI { 1054}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.800     0.000 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.102 ppm2      7.389 CV     1
 ASSI { 1055}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.700     2.000     2.000 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.11568E-02 ppm1      7.396 ppm2      7.965 CV     1
 ASSI { 1057}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 66   and name HN  ))
      6.000     4.800     0.000 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.675 ppm2      7.698 CV     1
 ASSI { 1059}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 15   and name HE% )
      6.000     4.800     0.000 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.848 ppm2      6.669 CV     1
 ASSI { 1060}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 39   and name HE21))
      4.200     2.500     1.800 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.66348E-03 ppm1      0.958 ppm2      7.318 CV     1
 ASSI { 1061}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 39   and name HE22))
      6.000     4.800     0.000 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.956 ppm2      6.694 CV     1
 ASSI { 1064}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     4.800     0.000 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.893 ppm2      7.389 CV     1
 ASSI { 1065}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      6.000     5.000     0.000 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.21416E-03 ppm1      4.579 ppm2      7.789 CV     1
 ASSI { 1066}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 15   and name HE% )
      4.900     3.300     1.100 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.50192E-03 ppm1      4.021 ppm2      6.668 CV     1
 ASSI { 1067}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 18   and name HE% )
      6.000     4.800     0.000 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.23328E-03 ppm1      9.010 ppm2      6.524 CV     1
 ASSI { 1068}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 18   and name HD% )
      3.800     2.100     2.100 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.14245E-02 ppm1      5.660 ppm2      6.731 CV     1
 ASSI { 1073}
   (( segid "    " and resid 21   and name HG2 ))
   (( segid "    " and resid 20   and name HA  ))
      4.400     2.700     1.600 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.82697E-03 ppm1      2.380 ppm2      5.597 CV     1
 OR { 1073}
   (( segid "    " and resid 21   and name HG3 ))
   (( segid "    " and resid 20   and name HA  ))
 ASSI { 1075}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
      6.000     4.800     0.000 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.023 ppm2      5.676 CV     1
 ASSI { 1077}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB3 ))
      4.300     2.600     1.700 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.96563E-03 ppm1      7.700 ppm2      3.145 CV     1
 ASSI { 1079}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 17   and name HG2 ))
      5.500     4.100     0.500 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.48376E-03 ppm1      3.916 ppm2      2.171 CV     1
 ASSI { 1080}
   (( segid "    " and resid 34   and name HA2 ))
   (( segid "    " and resid 17   and name HG2 ))
      6.000     4.800     0.000 peak  1080 spectrum    1 weight  0.11000E+01 volume  0.00000E+00 ppm1      4.042 ppm2      2.170 CV     1
 ASSI { 1081}
   (( segid "    " and resid 9    and name HB  ))
   (( segid "    " and resid 17   and name HG3 ))
      4.600     2.900     1.400 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.38911E-03 ppm1      3.919 ppm2      1.610 CV     1
 ASSI { 1082}
   (( segid "    " and resid 34   and name HA2 ))
   (( segid "    " and resid 17   and name HG3 ))
      4.300     2.600     1.700 peak  1082 spectrum    1 weight  0.11000E+01 volume  0.86429E-03 ppm1      4.042 ppm2      1.610 CV     1
 ASSI { 1083}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 20   and name HN  ))
      6.000     4.800     0.000 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.215 ppm2      9.839 CV     1
 ASSI { 1084}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HG2 ))
      5.200     3.700     0.800 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.47898E-03 ppm1      4.465 ppm2      2.418 CV     1
 OR { 1084}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HG3 ))
 ASSI { 1085}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HB3 ))
      3.400     1.700     1.700 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.22180E-02 ppm1      8.980 ppm2      1.864 CV     1
 ASSI { 1086}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 61   and name HA  ))
      5.400     4.000     0.600 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.35565E-03 ppm1     -0.022 ppm2      4.150 CV     1
 ASSI { 1089}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      3.600     1.900     1.900 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.27725E-02 ppm1      8.973 ppm2      2.925 CV     1
 ASSI { 1090}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 18   and name HE% )
      6.000     6.000     0.000 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.49236E-04 ppm1      4.789 ppm2      6.525 CV     1
 ASSI { 1091}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 66   and name HA  ))
      5.000     3.500     1.000 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.60901E-03 ppm1      4.250 ppm2      5.621 CV     1
 ASSI { 1095}
   (( segid "    " and resid 5    and name HG13))
   (( segid "    " and resid 5    and name HA  ))
      3.000     1.400     1.400 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.40728E-02 ppm1      1.036 ppm2      3.830 CV     1
 ASSI { 1096}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 18   and name HD% )
      6.000     4.800     0.000 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.404 ppm2      6.728 CV     1
 ASSI { 1097}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 7    and name HD2 ))
      2.900     1.300     1.300 peak  1097 spectrum    1 weight  0.10000E+01 volume  0.50960E-02 ppm1      0.803 ppm2      3.478 CV     1
 ASSI { 1098}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 5    and name HB  ))
      3.100     1.500     1.500 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.34705E-02 ppm1      9.032 ppm2      1.960 CV     1
 ASSI { 1099}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 5    and name HB  ))
      3.300     1.700     1.700 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.23614E-02 ppm1      3.359 ppm2      1.957 CV     1
 ASSI { 1101}
   (( segid "    " and resid 48   and name HG3 ))
   (  segid "    " and resid 15   and name HD% )
      6.000     4.800     0.000 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.019 ppm2      6.879 CV     1
 ASSI { 1102}
   (( segid "    " and resid 48   and name HG3 ))
   (  segid "    " and resid 15   and name HE% )
      6.000     4.800     0.000 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.019 ppm2      6.669 CV     1
 ASSI { 1105}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 15   and name HE% )
      6.000     4.800     0.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.516 ppm2      6.669 CV     1
 ASSI { 1106}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 12   and name HB  ))
      6.000     4.800     0.000 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.670 ppm2      1.267 CV     1
 ASSI { 1107}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 12   and name HG13))
      6.000     4.800     0.000 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.672 ppm2      1.241 CV     1
 ASSI { 1112}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 48   and name HB2 ))
      6.000     4.800     0.000 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.881 ppm2      1.399 CV     1
 OR { 1112}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 48   and name HB3 ))
 ASSI { 1115}
   (( segid "    " and resid 67   and name HB  ))
   (  segid "    " and resid 15   and name HE% )
      6.000     4.800     0.000 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.062 ppm2      6.669 CV     1
 ASSI { 1117}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 15   and name HB2 ))
      3.300     1.700     1.700 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.91110E-02 ppm1      6.673 ppm2      2.389 CV     1
 ASSI { 1118}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 15   and name HB3 ))
      4.100     2.400     1.900 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.56027E-03 ppm1      9.513 ppm2      3.093 CV     1
 ASSI { 1119}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.300     1.700     1.700 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.87287E-03 ppm1      9.513 ppm2      2.390 CV     1
 ASSI { 1120}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HE% )
      6.000     4.800     0.000 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.479 ppm2      6.523 CV     1
 ASSI { 1121}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 18   and name HE% )
      6.000     4.800     0.000 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.089 ppm2      6.520 CV     1
 ASSI { 1122}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 18   and name HE% )
      4.900     3.300     1.100 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.48280E-03 ppm1      5.671 ppm2      6.522 CV     1
 ASSI { 1123}
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 18   and name HE% )
      4.700     3.100     1.300 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.57078E-03 ppm1      5.201 ppm2      6.523 CV     1
 ASSI { 1124}
   (( segid "    " and resid 16   and name HA  ))
   (  segid "    " and resid 18   and name HD% )
      6.000     4.800     0.000 peak  1124 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.791 ppm2      6.728 CV     1
 ASSI { 1126}
   (( segid "    " and resid 59   and name HB3 ))
   (  segid "    " and resid 18   and name HE% )
      6.000     4.800     0.000 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.405 ppm2      6.521 CV     1
 ASSI { 1127}
   (  segid "    " and resid 59   and name HD1%)
   (  segid "    " and resid 18   and name HD% )
      6.000     4.800     0.000 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.748 ppm2      6.729 CV     1
 ASSI { 1128}
   (  segid "    " and resid 59   and name HD2%)
   (  segid "    " and resid 18   and name HD% )
      6.000     4.800     0.000 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.775 ppm2      6.729 CV     1
 ASSI { 1129}
   (  segid "    " and resid 59   and name HD1%)
   (  segid "    " and resid 18   and name HE% )
      6.000     4.800     0.000 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.748 ppm2      6.523 CV     1
 ASSI { 1131}
   (( segid "    " and resid 48   and name HG2 ))
   (( segid "    " and resid 49   and name HN  ))
      6.000     4.800     0.000 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.987 ppm2      8.374 CV     1
 ASSI { 1132}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 50   and name HN  ))
      6.000     4.800     0.000 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.019 ppm2      8.303 CV     1
 ASSI { 1137}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.600     1.900     1.900 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.13384E-02 ppm1      8.232 ppm2      4.018 CV     1
 ASSI { 1139}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 30   and name HN  ))
      6.000     4.800     0.000 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.698 ppm2      8.580 CV     1
 ASSI { 1140}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      4.000     2.300     2.000 peak  1140 spectrum    1 weight  0.10000E+01 volume  0.83464E-03 ppm1      1.212 ppm2      8.827 CV     1
 ASSI { 1141}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HG1%)
      2.700     1.200     1.200 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.98472E-02 ppm1      4.194 ppm2      0.818 CV     1
 OR { 1141}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 51   and name HG2%)
 ASSI { 1142}
   (( segid "    " and resid 32   and name HB  ))
   (( segid "    " and resid 19   and name HB3 ))
      4.300     2.600     1.700 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.14340E-02 ppm1      2.180 ppm2      3.005 CV     1
 ASSI { 1143}
   (( segid "    " and resid 34   and name HA2 ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.800     0.000 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.045 ppm2      0.633 CV     1
 ASSI { 1144}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      6.000     4.800     0.000 peak  1144 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.925 ppm2      0.603 CV     1
 ASSI { 1145}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HG12))
      4.600     2.900     1.400 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.41110E-02 ppm1      3.925 ppm2      0.746 CV     1
 ASSI { 1146}
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      6.000     4.800     0.000 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.362 ppm2      0.602 CV     1
 ASSI { 1147}
   (( segid "    " and resid 17   and name HG3 ))
   (  segid "    " and resid 5    and name HD1%)
      6.000     4.800     0.000 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.620 ppm2      0.603 CV     1
 ASSI { 1148}
   (( segid "    " and resid 17   and name HG3 ))
   (  segid "    " and resid 5    and name HG2%)
      6.000     4.800     0.000 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.617 ppm2      0.633 CV     1
 ASSI { 1149}
   (  segid "    " and resid 9    and name HG2%)
   (  segid "    " and resid 5    and name HD1%)
      6.000     4.800     0.000 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.218 ppm2      0.602 CV     1
 ASSI { 1150}
   (( segid "    " and resid 45   and name HG3 ))
   (  segid "    " and resid 44   and name HG1%)
      6.000     4.800     0.000 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.218 ppm2      0.759 CV     1
 ASSI { 1151}
   (  segid "    " and resid 36   and name HD1%)
   (  segid "    " and resid 5    and name HG2%)
      4.000     2.300     2.000 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.28395E-03 ppm1      1.499 ppm2      0.633 CV     1
 ASSI { 1152}
   (  segid "    " and resid 59   and name HD1%)
   (  segid "    " and resid 61   and name HD1%)
      6.000     4.800     0.000 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.750 ppm2     -0.025 CV     1
 ASSI { 1153}
   (  segid "    " and resid 59   and name HD2%)
   (  segid "    " and resid 61   and name HD1%)
      6.000     4.800     0.000 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.775 ppm2     -0.025 CV     1
 ASSI { 1155}
   (( segid "    " and resid 6    and name HA2 ))
   (( segid "    " and resid 7    and name HD2 ))
      4.400     2.700     1.600 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.67496E-03 ppm1      4.647 ppm2      3.476 CV     1
 ASSI { 1156}
   (( segid "    " and resid 23   and name HA  ))
   (  segid "    " and resid 23   and name HE% )
      6.000     4.800     0.000 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.632 ppm2      0.684 CV     1
 ASSI { 1157}
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 23   and name HE% )
      3.000     1.400     1.400 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.66734E-02 ppm1      4.462 ppm2      0.684 CV     1
 ASSI { 1158}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 23   and name HE% )
      6.000     4.800     0.000 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.783 ppm2      0.684 CV     1
 OR { 1158}
   (( segid "    " and resid 22   and name HB3 ))
   (  segid "    " and resid 23   and name HE% )
 ASSI { 1159}
   (  segid "    " and resid 23   and name HE% )
   (( segid "    " and resid 24   and name HN  ))
      6.000     4.800     0.000 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.683 ppm2      8.530 CV     1
 ASSI { 1160}
   (  segid "    " and resid 23   and name HE% )
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.800     0.000 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.684 ppm2      8.565 CV     1
 ASSI { 1161}
   (  segid "    " and resid 18   and name HE% )
   (  segid "    " and resid 59   and name HD2%)
      3.200     1.600     1.600 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.32123E-02 ppm1      6.528 ppm2      0.786 CV     1
 ASSI { 1166}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 36   and name HN  ))
      6.000     4.800     0.000 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.868 ppm2      8.611 CV     1
 ASSI { 1167}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.800     0.000 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.872 ppm2      7.783 CV     1
 ASSI { 1168}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 35   and name HA  ))
      6.000     4.800     0.000 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.872 ppm2      3.922 CV     1
 ASSI { 1170}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 35   and name HB  ))
      6.000     4.800     0.000 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.872 ppm2      1.834 CV     1
 ASSI { 1174}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      6.000     4.800     0.000 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.641 ppm2      7.781 CV     1
 ASSI { 1175}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.100     1.500     1.500 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.28586E-02 ppm1      8.150 ppm2      3.798 CV     1
 ASSI { 1176}
   (  segid "    " and resid 35   and name HG1%)
   (( segid "    " and resid 38   and name HB2 ))
      6.000     4.800     0.000 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.848 ppm2      3.798 CV     1
 ASSI { 1177}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 38   and name HB2 ))
      6.000     4.800     0.000 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.875 ppm2      3.798 CV     1
 ASSI { 1178}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.900     2.200     2.100 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.29351E-02 ppm1      8.429 ppm2      3.798 CV     1
 ASSI { 1179}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HA1 ))
      2.400     1.000     1.000 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.15106E-01 ppm1      8.729 ppm2      3.761 CV     1
 ASSI { 1180}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 41   and name HN  ))
      4.800     3.200     1.200 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.98472E-03 ppm1      1.325 ppm2      9.373 CV     1
 ASSI { 1182}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 40   and name HN  ))
      3.900     2.200     2.100 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.15010E-02 ppm1      1.230 ppm2      8.972 CV     1
 ASSI { 1183}
   (  segid "    " and resid 51   and name HG2%)
   (( segid "    " and resid 50   and name HN  ))
      2.900     1.300     1.300 peak  1183 spectrum    1 weight  0.11000E+01 volume  0.21702E-02 ppm1      0.822 ppm2      8.305 CV     1
 OR { 1183}
   (  segid "    " and resid 51   and name HG1%)
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1184}
   (( segid "    " and resid 29   and name HB3 ))
   (( segid "    " and resid 61   and name HN  ))
      6.000     4.800     0.000 peak  1184 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.698 ppm2      8.800 CV     1
 OR { 1184}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 61   and name HN  ))
 ASSI { 1187}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 40   and name HN  ))
      3.400     1.800     1.800 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.25526E-02 ppm1      3.936 ppm2      8.972 CV     1
 ASSI { 1189}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 47   and name HN  ))
      3.000     1.400     1.400 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.38815E-02 ppm1      6.526 ppm2      9.513 CV     1
 ASSI { 1190}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 47   and name HN  ))
      2.700     1.200     1.200 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.64724E-02 ppm1      6.736 ppm2      9.513 CV     1
 ASSI { 1191}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 47   and name HN  ))
      3.500     1.800     1.800 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.17305E-02 ppm1      6.879 ppm2      9.511 CV     1
 ASSI { 1192}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.700     1.200     1.200 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.68933E-02 ppm1      8.658 ppm2      9.511 CV     1
 ASSI { 1193}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.000     1.400     1.400 peak  1193 spectrum    1 weight  0.10000E+01 volume  0.39485E-02 ppm1      8.144 ppm2      8.972 CV     1
 ASSI { 1194}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     1.200     1.200 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.58799E-02 ppm1      8.364 ppm2      9.002 CV     1
 ASSI { 1202}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 67   and name HN  ))
      3.500     1.800     1.800 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.20746E-02 ppm1      6.874 ppm2      8.740 CV     1
 ASSI { 1206}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.800     0.000 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.646 ppm2      8.149 CV     1
 ASSI { 1207}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 43   and name HN  ))
      6.000     4.800     0.000 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.324 ppm2      8.320 CV     1
 ASSI { 1208}
   (( segid "    " and resid 5    and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      2.800     1.300     1.300 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.47803E-02 ppm1      1.958 ppm2      8.145 CV     1
 ASSI { 1209}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 3    and name HN  ))
      4.100     2.400     1.900 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.93405E-03 ppm1      2.564 ppm2      8.140 CV     1
 ASSI { 1210}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 15   and name HN  ))
      6.000     6.000     0.000 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.12238E-04 ppm1      2.740 ppm2      7.969 CV     1
 OR { 1210}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI { 1211}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     1.200     1.200 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.95603E-02 ppm1      4.655 ppm2      8.085 CV     1
 ASSI { 1213}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 34   and name HN  ))
      4.000     2.300     2.000 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.12620E-02 ppm1      6.731 ppm2      8.088 CV     1
 ASSI { 1215}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 65   and name HN  ))
      4.000     2.300     2.000 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.11568E-02 ppm1      7.375 ppm2      8.147 CV     1
 ASSI { 1218}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      3.400     1.700     1.700 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.32410E-02 ppm1      8.438 ppm2      7.870 CV     1
 ASSI { 1219}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.800     1.300     1.300 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.59946E-02 ppm1      8.734 ppm2      7.868 CV     1
 ASSI { 1221}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.900     3.400     1.100 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.36903E-03 ppm1      9.007 ppm2      8.087 CV     1
 ASSI { 1224}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      3.700     2.000     2.000 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.33653E-02 ppm1      8.746 ppm2      7.696 CV     1
 ASSI { 1226}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      4.400     2.700     1.600 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.92831E-03 ppm1      8.618 ppm2      7.782 CV     1
 ASSI { 1227}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HD21))
      4.300     2.600     1.700 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.10134E-02 ppm1      8.606 ppm2      7.368 CV     1
 ASSI { 1230}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      4.400     2.700     1.600 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.11377E-02 ppm1      8.356 ppm2      7.700 CV     1
 ASSI { 1231}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      2.400     1.000     1.000 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.12715E-01 ppm1      8.152 ppm2      7.698 CV     1
 ASSI { 1233}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      3.200     1.600     1.600 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.25431E-02 ppm1      8.324 ppm2      7.129 CV     1
 ASSI { 1234}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      4.400     2.800     1.600 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.21416E-02 ppm1      4.986 ppm2      7.128 CV     1
 ASSI { 1235}
   (( segid "    " and resid 41   and name HA2 ))
   (( segid "    " and resid 42   and name HN  ))
      3.100     1.500     1.500 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.46081E-02 ppm1      4.325 ppm2      7.129 CV     1
 ASSI { 1236}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.300     1.600     1.600 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.43692E-02 ppm1      4.208 ppm2      7.695 CV     1
 ASSI { 1237}
   (( segid "    " and resid 41   and name HA1 ))
   (( segid "    " and resid 42   and name HN  ))
      3.300     1.700     1.700 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.41684E-02 ppm1      3.673 ppm2      7.129 CV     1
 ASSI { 1238}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      3.900     2.200     2.100 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.15201E-02 ppm1      3.770 ppm2      7.695 CV     1
 ASSI { 1239}
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      4.300     2.600     1.700 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.93882E-03 ppm1      3.804 ppm2      7.785 CV     1
 ASSI { 1240}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 12   and name HN  ))
      3.600     1.900     1.900 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.17974E-02 ppm1      2.958 ppm2      7.391 CV     1
 ASSI { 1241}
   (  segid "    " and resid 64   and name HB% )
   (( segid "    " and resid 66   and name HN  ))
      4.200     2.500     1.800 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.23519E-02 ppm1      1.321 ppm2      7.698 CV     1
 ASSI { 1248}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 18   and name HD% )
      2.600     1.100     1.100 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.72756E-02 ppm1      2.834 ppm2      6.729 CV     1
 ASSI { 1249}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 15   and name HE% )
      4.400     2.700     1.600 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.53442E-03 ppm1      2.743 ppm2      6.669 CV     1
 OR { 1249}
   (( segid "    " and resid 13   and name HB3 ))
   (  segid "    " and resid 15   and name HE% )
 ASSI { 1250}
   (( segid "    " and resid 31   and name HB3 ))
   (  segid "    " and resid 18   and name HE% )
      5.100     3.600     0.900 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.21989E-03 ppm1      2.830 ppm2      6.522 CV     1
 ASSI { 1253}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HD% )
      2.600     1.200     1.200 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.91587E-02 ppm1      7.974 ppm2      6.878 CV     1
 ASSI { 1254}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 15   and name HD% )
      3.200     1.600     1.600 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.31932E-02 ppm1      8.230 ppm2      6.879 CV     1
 ASSI { 1255}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 15   and name HE% )
      3.300     1.700     1.700 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.23519E-02 ppm1      8.230 ppm2      6.665 CV     1
 ASSI { 1256}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 18   and name HD% )
      3.400     1.800     1.800 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.14627E-02 ppm1      8.366 ppm2      6.728 CV     1
 ASSI { 1263}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.400     1.700     1.700 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.33462E-02 ppm1      8.903 ppm2      5.659 CV     1
 ASSI { 1265}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.400     1.000     1.000 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.12333E-01 ppm1      8.744 ppm2      5.619 CV     1
 ASSI { 1269}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 47   and name HA  ))
      2.900     1.300     1.300 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.39198E-02 ppm1      6.882 ppm2      5.675 CV     1
 ASSI { 1270}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 47   and name HA  ))
      3.100     1.500     1.500 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.32219E-02 ppm1      6.673 ppm2      5.676 CV     1
 ASSI { 1271}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 17   and name HA  ))
      3.200     1.600     1.600 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.22372E-02 ppm1      5.496 ppm2      5.203 CV     1
 ASSI { 1275}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      2.900     1.300     1.300 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.55260E-02 ppm1      2.721 ppm2      5.359 CV     1
 ASSI { 1278}
   (( segid "    " and resid 47   and name HB3 ))
   (( segid "    " and resid 47   and name HA  ))
      3.500     1.800     1.800 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.14340E-02 ppm1      2.979 ppm2      5.671 CV     1
 ASSI { 1279}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      3.600     1.900     1.900 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.19312E-02 ppm1      2.710 ppm2      5.596 CV     1
 ASSI { 1280}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 18   and name HD% )
      2.900     1.400     1.400 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.49141E-02 ppm1     -0.021 ppm2      6.729 CV     1
 ASSI { 1281}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 18   and name HE% )
      2.900     1.400     1.400 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.41588E-02 ppm1     -0.021 ppm2      6.524 CV     1
 ASSI { 1282}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 61   and name HA  ))
      2.700     1.200     1.200 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.82220E-02 ppm1      0.669 ppm2      4.144 CV     1
 ASSI { 1286}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.900     1.400     1.400 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.41684E-02 ppm1      8.197 ppm2      4.193 CV     1
 ASSI { 1290}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.100     1.500     1.500 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.56692E-02 ppm1      8.694 ppm2      4.121 CV     1
 ASSI { 1295}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      4.200     2.500     1.800 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.10039E-02 ppm1      8.789 ppm2      3.684 CV     1
 OR { 1295}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB3 ))
 ASSI { 1299}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.000     1.400     1.400 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.47324E-02 ppm1      8.391 ppm2      4.243 CV     1
 ASSI { 1313}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 47   and name HB3 ))
      2.800     1.300     1.300 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.91399E-02 ppm1      6.528 ppm2      2.980 CV     1
 ASSI { 1317}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HD2 ))
      2.600     1.100     1.100 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.47516E-02 ppm1      2.172 ppm2      3.566 CV     1
 ASSI { 1318}
   (( segid "    " and resid 7    and name HB3 ))
   (( segid "    " and resid 7    and name HD2 ))
      3.800     2.100     2.100 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.38146E-02 ppm1      2.293 ppm2      3.478 CV     1
 ASSI { 1319}
   (( segid "    " and resid 34   and name HA1 ))
   (( segid "    " and resid 33   and name HA  ))
      4.000     2.300     2.000 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.24857E-02 ppm1      2.731 ppm2      3.368 CV     1
 ASSI { 1320}
   (( segid "    " and resid 45   and name HE3 ))
   (( segid "    " and resid 43   and name HB2 ))
      3.000     1.400     1.400 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.15966E-02 ppm1      2.826 ppm2      3.688 CV     1
 OR { 1320}
   (( segid "    " and resid 45   and name HE3 ))
   (( segid "    " and resid 43   and name HB3 ))
 ASSI { 1322}
   (( segid "    " and resid 16   and name HB3 ))
   (( segid "    " and resid 17   and name HD2 ))
      3.300     1.700     1.700 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.16157E-02 ppm1      1.745 ppm2      3.562 CV     1
 OR { 1322}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HD2 ))
 ASSI { 1323}
   (( segid "    " and resid 33   and name HB  ))
   (( segid "    " and resid 33   and name HA  ))
      3.000     1.400     1.400 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.36426E-02 ppm1      1.832 ppm2      3.375 CV     1
 ASSI { 1324}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HD2 ))
      3.900     2.200     2.100 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.11759E-02 ppm1      1.625 ppm2      3.560 CV     1
 ASSI { 1327}
   (( segid "    " and resid 17   and name HB3 ))
   (( segid "    " and resid 17   and name HD2 ))
      3.400     1.700     1.700 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.69598E-02 ppm1      1.895 ppm2      3.561 CV     1
 ASSI { 1328}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 15   and name HB3 ))
      6.000     4.800     0.000 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.242 ppm2      3.096 CV     1
 ASSI { 1330}
   (  segid "    " and resid 33   and name HG2%)
   (( segid "    " and resid 33   and name HA  ))
      2.700     1.200     1.200 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.89201E-02 ppm1      0.903 ppm2      3.368 CV     1
 ASSI { 1331}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 19   and name HB3 ))
      3.000     1.400     1.400 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.12428E-01 ppm1      0.896 ppm2      3.005 CV     1
 ASSI { 1333}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 34   and name HA2 ))
      2.600     1.100     1.100 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.93694E-02 ppm1      0.610 ppm2      4.042 CV     1
 ASSI { 1334}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 47   and name HB3 ))
      3.200     1.600     1.600 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.30498E-02 ppm1     -0.023 ppm2      2.978 CV     1
 ASSI { 1335}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 31   and name HB3 ))
      3.400     1.700     1.700 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.20650E-02 ppm1     -0.020 ppm2      2.831 CV     1
 ASSI { 1338}
   (  segid "    " and resid 23   and name HE% )
   (( segid "    " and resid 23   and name HG2 ))
      3.500     1.900     1.900 peak  1338 spectrum    1 weight  0.10000E+01 volume  0.19790E-02 ppm1      0.700 ppm2      2.417 CV     1
 OR { 1338}
   (  segid "    " and resid 23   and name HE% )
   (( segid "    " and resid 23   and name HG3 ))
 ASSI { 1339}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 17   and name HG2 ))
      3.000     1.400     1.400 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.46081E-02 ppm1      0.634 ppm2      2.169 CV     1
 ASSI { 1341}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 44   and name HB  ))
      2.100     0.900     0.900 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.30211E-01 ppm1      0.762 ppm2      1.962 CV     1
 ASSI { 1342}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 44   and name HB  ))
      2.200     0.900     0.900 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.24666E-01 ppm1      0.837 ppm2      1.962 CV     1
 ASSI { 1348}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 21   and name HG2 ))
      2.800     1.300     1.300 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.46081E-02 ppm1      1.324 ppm2      2.375 CV     1
 ASSI { 1349}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HE3 ))
      3.400     1.800     1.800 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.25144E-02 ppm1      1.358 ppm2      2.904 CV     1
 OR { 1349}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HE2 ))
 ASSI { 1350}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 21   and name HB3 ))
      3.100     1.500     1.500 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.36808E-02 ppm1      1.329 ppm2      2.092 CV     1
 ASSI { 1351}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 10   and name HB2 ))
      4.100     2.400     1.900 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.13289E-02 ppm1      3.567 ppm2      2.595 CV     1
 ASSI { 1355}
   (( segid "    " and resid 21   and name HE21))
   (( segid "    " and resid 21   and name HG3 ))
      3.200     1.600     1.600 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.23423E-02 ppm1      7.479 ppm2      2.375 CV     1
 OR { 1355}
   (( segid "    " and resid 21   and name HE21))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI { 1357}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB2 ))
      3.600     1.900     1.900 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.10612E-02 ppm1      7.701 ppm2      2.862 CV     1
 ASSI { 1359}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB  ))
      2.600     1.100     1.100 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.96563E-02 ppm1      8.393 ppm2      2.055 CV     1
 ASSI { 1360}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB3 ))
      3.200     1.600     1.600 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.35565E-02 ppm1      8.535 ppm2      2.095 CV     1
 ASSI { 1361}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB  ))
      2.600     1.100     1.100 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.12238E-01 ppm1      8.635 ppm2      2.174 CV     1
 ASSI { 1362}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB  ))
      3.600     1.900     1.900 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.25526E-02 ppm1      8.747 ppm2      2.056 CV     1
 ASSI { 1366}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.000     1.500     1.500 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.36234E-02 ppm1      8.900 ppm2      1.994 CV     1
 ASSI { 1367}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB3 ))
      3.400     1.700     1.700 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.19217E-02 ppm1      8.745 ppm2      2.941 CV     1
 ASSI { 1368}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.300     1.000     1.000 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.11377E-01 ppm1      9.478 ppm2      2.565 CV     1
 ASSI { 1371}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB3 ))
      2.500     1.100     1.100 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.13289E-01 ppm1      8.769 ppm2      1.696 CV     1
 OR { 1371}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
 ASSI { 1372}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HG  ))
      3.300     1.700     1.700 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.22658E-02 ppm1      8.765 ppm2      1.489 CV     1
 ASSI { 1376}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HG3 ))
      4.000     2.300     2.000 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.11090E-02 ppm1      8.660 ppm2      1.633 CV     1
 ASSI { 1377}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB  ))
      2.300     0.900     0.900 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.18069E-01 ppm1      8.616 ppm2      1.734 CV     1
 ASSI { 1379}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      3.000     1.400     1.400 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.46655E-02 ppm1      8.566 ppm2      1.845 CV     1
 ASSI { 1384}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HG1%)
      3.200     1.600     1.600 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.48280E-02 ppm1      9.016 ppm2      0.756 CV     1
 ASSI { 1386}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      3.100     1.500     1.500 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.58129E-02 ppm1      9.043 ppm2      0.800 CV     1
 ASSI { 1391}
   (  segid "    " and resid 18   and name HE% )
   (  segid "    " and resid 33   and name HG2%)
      2.900     1.300     1.300 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.55737E-02 ppm1      6.528 ppm2      0.906 CV     1
 ASSI { 1393}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 29   and name HG  ))
      2.900     1.300     1.300 peak  1393 spectrum    1 weight  0.11000E+01 volume  0.20173E-02 ppm1      3.775 ppm2      1.492 CV     1
 ASSI { 1396}
   (( segid "    " and resid 21   and name HG3 ))
   (  segid "    " and resid 42   and name HB% )
      3.300     1.700     1.700 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.32984E-02 ppm1      2.383 ppm2      1.322 CV     1
 OR { 1396}
   (( segid "    " and resid 21   and name HG2 ))
   (  segid "    " and resid 42   and name HB% )
 ASSI { 1401}
   (  segid "    " and resid 61   and name HD1%)
   (  segid "    " and resid 61   and name HG2%)
      2.500     1.100     1.100 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.14532E-01 ppm1     -0.023 ppm2      0.657 CV     1
 ASSI { 1404}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
      3.000     1.400     1.400 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.38146E-02 ppm1      2.562 ppm2      0.602 CV     1
 ASSI { 1406}
   (( segid "    " and resid 34   and name HA1 ))
   (  segid "    " and resid 5    and name HD1%)
      2.600     1.100     1.100 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.11568E-01 ppm1      2.732 ppm2      0.602 CV     1
 ASSI { 1410}
   (( segid "    " and resid 65   and name HB3 ))
   (  segid "    " and resid 61   and name HG2%)
      3.400     1.700     1.700 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.25718E-02 ppm1      3.150 ppm2      0.659 CV     1
 ASSI { 1413}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      3.700     2.000     2.000 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.16062E-02 ppm1      9.036 ppm2      0.632 CV     1
 ASSI { 1414}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 5    and name HG2%)
      2.700     1.200     1.200 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.62906E-02 ppm1      8.828 ppm2      0.633 CV     1
 ASSI { 1415}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 67   and name HG1%)
      2.900     1.300     1.300 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.93405E-02 ppm1      8.745 ppm2      0.648 CV     1
 ASSI { 1418}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 32   and name HG2%)
      2.700     1.200     1.200 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.74665E-02 ppm1      8.369 ppm2      0.984 CV     1
 ASSI { 1420}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      3.100     1.500     1.500 peak  1420 spectrum    1 weight  0.10000E+01 volume  0.12333E-02 ppm1      9.039 ppm2      0.953 CV     1
 ASSI { 1422}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      3.400     1.700     1.700 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.23423E-02 ppm1      7.787 ppm2      0.600 CV     1
 ASSI { 1423}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 64   and name HB% )
      3.400     1.700     1.700 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.28777E-02 ppm1      8.156 ppm2      1.314 CV     1
 ASSI { 1428}
   (( segid "    " and resid 19   and name HB2 ))
   (  segid "    " and resid 32   and name HG1%)
      3.700     2.000     2.000 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.52584E-02 ppm1      2.725 ppm2      0.892 CV     1
 ASSI { 1429}
   (( segid "    " and resid 3    and name HB  ))
   (( segid "    " and resid 40   and name HB2 ))
      3.300     1.700     1.700 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.23901E-02 ppm1      3.933 ppm2      2.560 CV     1
 ASSI { 1431}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA1 ))
      4.400     2.700     1.600 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.57265E-03 ppm1      8.151 ppm2      3.526 CV     1
 ASSI { 1432}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA1 ))
      2.900     1.400     1.400 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.36139E-02 ppm1      8.792 ppm2      3.541 CV     1
 ASSI { 1433}
   (( segid "    " and resid 46   and name HB3 ))
   (  segid "    " and resid 15   and name HD% )
      3.800     2.100     2.100 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.86520E-03 ppm1      2.861 ppm2      6.879 CV     1
 ASSI { 1435}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.400     1.000     1.000 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.10134E-01 ppm1      9.043 ppm2      8.149 CV     1
 ASSI { 1437}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA1 ))
      2.200     0.900     0.900 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.17974E-01 ppm1      9.039 ppm2      3.523 CV     1
 ASSI { 1441}
   (( segid "    " and resid 65   and name HD21))
   (( segid "    " and resid 65   and name HB3 ))
      3.100     1.500     1.500 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.34131E-02 ppm1      7.370 ppm2      3.146 CV     1
 ASSI { 1442}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HA2 ))
      3.000     1.500     1.500 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.84230E-02 ppm1      7.786 ppm2      4.040 CV     1
 ASSI { 1443}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB3 ))
      3.400     1.800     1.800 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.68263E-02 ppm1      7.697 ppm2      2.940 CV     1
 ASSI { 1451}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 15   and name HB2 ))
      2.900     1.400     1.400 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.28777E-02 ppm1      2.954 ppm2      2.389 CV     1
 ASSI { 1455}
   (( segid "    " and resid 48   and name HD3 ))
   (( segid "    " and resid 65   and name HB3 ))
      2.600     1.100     1.100 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.10708E-01 ppm1      1.411 ppm2      3.145 CV     1
 OR { 1455}
   (( segid "    " and resid 48   and name HD2 ))
   (( segid "    " and resid 65   and name HB3 ))
 OR { 1455}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 65   and name HB3 ))
 OR { 1455}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 65   and name HB3 ))
 ASSI { 1456}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 40   and name HB3 ))
      3.000     1.400     1.400 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.48089E-02 ppm1      0.835 ppm2      2.926 CV     1
 ASSI { 1457}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 45   and name HE3 ))
      2.700     1.200     1.200 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.79067E-02 ppm1      1.185 ppm2      2.829 CV     1
 ASSI { 1460}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 15   and name HD% )
      4.100     2.400     1.900 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.10899E-02 ppm1      5.496 ppm2      6.878 CV     1
 ASSI { 1465}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 12   and name HB  ))
      6.000     4.800     0.000 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.101 ppm2      1.266 CV     1
 ASSI { 1472}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      4.900     3.300     1.100 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.10612E-02 ppm1      2.565 ppm2      7.128 CV     1
 ASSI { 1473}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     4.800     0.000 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.796 ppm2      9.513 CV     1
 ASSI { 1476}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.800     0.000 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.146 ppm2      9.369 CV     1
 ASSI { 1477}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      4.900     3.400     1.100 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.31167E-03 ppm1      4.570 ppm2      9.371 CV     1
 ASSI { 1478}
   (( segid "    " and resid 19   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      6.000     4.800     0.000 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.720 ppm2      9.372 CV     1
 ASSI { 1479}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 41   and name HN  ))
      4.400     2.700     1.600 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.70938E-03 ppm1      1.226 ppm2      9.374 CV     1
 ASSI { 1481}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 40   and name HN  ))
      4.500     2.900     1.500 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.91013E-03 ppm1      1.117 ppm2      8.973 CV     1
 ASSI { 1482}
   (  segid "    " and resid 67   and name HG1%)
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.800     0.000 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.650 ppm2      8.939 CV     1
 ASSI { 1483}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 21   and name HN  ))
      4.100     2.400     1.900 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.92831E-03 ppm1      1.184 ppm2      8.900 CV     1
 ASSI { 1484}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 21   and name HN  ))
      3.300     1.700     1.700 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.84799E-03 ppm1      1.323 ppm2      8.897 CV     1
 ASSI { 1486}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      4.800     3.200     1.200 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.57748E-03 ppm1      2.731 ppm2      8.490 CV     1
 OR { 1486}
   (( segid "    " and resid 13   and name HB3 ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 1488}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      6.000     4.800     0.000 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.637 ppm2      8.462 CV     1
 ASSI { 1489}
   (( segid "    " and resid 35   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      4.000     2.300     2.000 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.11951E-02 ppm1      1.839 ppm2      8.146 CV     1
 ASSI { 1490}
   (  segid "    " and resid 35   and name HG1%)
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.800     0.000 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.847 ppm2      8.144 CV     1
 OR { 1490}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 1491}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 39   and name HE21))
      4.700     3.100     1.300 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.41301E-03 ppm1      1.226 ppm2      7.317 CV     1
 ASSI { 1497}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HD22))
      4.800     3.200     1.200 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.75335E-03 ppm1      8.612 ppm2      7.027 CV     1
 ASSI { 1501}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.600     2.000     2.000 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.18069E-02 ppm1      8.367 ppm2      5.599 CV     1
 ASSI { 1502}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      6.000     4.800     0.000 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.698 ppm2      5.676 CV     1
 ASSI { 1503}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      4.300     2.600     1.700 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.10516E-02 ppm1      8.229 ppm2      5.619 CV     1
 ASSI { 1504}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 66   and name HA  ))
      3.500     1.800     1.800 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.14627E-02 ppm1      2.941 ppm2      5.619 CV     1
 ASSI { 1505}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HA  ))
      4.300     2.700     1.700 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.11664E-02 ppm1      4.622 ppm2      5.599 CV     1
 ASSI { 1507}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA2 ))
      4.300     2.600     1.700 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.86043E-03 ppm1      7.871 ppm2      4.025 CV     1
 ASSI { 1513}
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HB  ))
      4.500     2.800     1.500 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.13384E-02 ppm1      4.489 ppm2      1.656 CV     1
 ASSI { 1514}
   (( segid "    " and resid 37   and name HA2 ))
   (( segid "    " and resid 36   and name HA  ))
      5.000     3.400     1.000 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.78107E-03 ppm1      4.340 ppm2      3.357 CV     1
 ASSI { 1520}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      2.800     1.300     1.300 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.62332E-02 ppm1      8.375 ppm2      2.563 CV     1
 ASSI { 1525}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG3 ))
      4.600     3.000     1.400 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.94456E-03 ppm1      8.540 ppm2      2.378 CV     1
 OR { 1525}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI { 1526}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 46   and name HB3 ))
      3.400     1.800     1.800 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.30785E-02 ppm1      2.395 ppm2      2.863 CV     1
 ASSI { 1531}
   (( segid "    " and resid 10   and name HB3 ))
   (( segid "    " and resid 17   and name HD2 ))
      5.100     3.600     0.900 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.69506E-03 ppm1      2.961 ppm2      3.560 CV     1
 ASSI { 1536}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 31   and name HB2 ))
      2.700     1.200     1.200 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.80021E-02 ppm1     -0.020 ppm2      2.635 CV     1
 ASSI { 1537}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 47   and name HB2 ))
      3.100     1.500     1.500 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.29637E-02 ppm1     -0.019 ppm2      2.564 CV     1
 ASSI { 1538}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 40   and name HB3 ))
      3.400     1.700     1.700 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.53249E-02 ppm1      0.608 ppm2      2.925 CV     1
 ASSI { 1539}
   (( segid "    " and resid 30   and name HA2 ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.800     0.000 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.606 ppm2      5.658 CV     1
 ASSI { 1540}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 47   and name HA  ))
      6.000     4.800     0.000 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.622 ppm2      5.674 CV     1
 ASSI { 1541}
   (  segid "    " and resid 32   and name HG1%)
   (( segid "    " and resid 31   and name HA  ))
      4.800     3.100     1.200 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.52011E-03 ppm1      0.897 ppm2      5.658 CV     1
 ASSI { 1544}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.500     1.900     1.900 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.92450E-03 ppm1      8.089 ppm2      2.165 CV     1
 ASSI { 1546}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 18   and name HE% )
      6.000     4.800     0.000 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.377 ppm2      6.524 CV     1
 ASSI { 1548}
   (( segid "    " and resid 17   and name HG3 ))
   (( segid "    " and resid 17   and name HD3 ))
      2.600     1.200     1.200 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.45508E-02 ppm1      1.626 ppm2      3.652 CV     1
 ASSI { 1551}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 17   and name HD2 ))
      5.300     3.800     0.700 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.43118E-03 ppm1      1.373 ppm2      3.565 CV     1
 ASSI { 1552}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 43   and name HB3 ))
      4.700     3.000     1.300 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.47133E-03 ppm1      1.323 ppm2      3.686 CV     1
 OR { 1552}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 43   and name HB2 ))
 ASSI { 1553}
   (( segid "    " and resid 7    and name HG3 ))
   (( segid "    " and resid 7    and name HD3 ))
      2.800     1.300     1.300 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.49810E-02 ppm1      1.973 ppm2      3.686 CV     1
 OR { 1553}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HD3 ))
 ASSI { 1555}
   (( segid "    " and resid 45   and name HE2 ))
   (( segid "    " and resid 43   and name HB2 ))
      3.000     1.400     1.400 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.16062E-02 ppm1      2.625 ppm2      3.686 CV     1
 OR { 1555}
   (( segid "    " and resid 45   and name HE2 ))
   (( segid "    " and resid 43   and name HB3 ))
 ASSI { 1561}
   (( segid "    " and resid 15   and name HN  ))
   (  segid "    " and resid 15   and name HE% )
      4.700     3.100     1.300 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.87383E-03 ppm1      7.973 ppm2      6.667 CV     1
 ASSI { 1562}
   (  segid "    " and resid 61   and name HG2%)
   (  segid "    " and resid 18   and name HD% )
      6.000     4.800     0.000 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.659 ppm2      6.729 CV     1
 ASSI { 1563}
   (  segid "    " and resid 61   and name HG2%)
   (  segid "    " and resid 18   and name HE% )
      6.000     4.800     0.000 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.656 ppm2      6.523 CV     1
 ASSI { 1564}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 18   and name HN  ))
      3.200     1.500     1.500 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.34513E-02 ppm1      0.760 ppm2      9.472 CV     1
 ASSI { 1567}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.800     0.000 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.872 ppm2      8.146 CV     1
 ASSI { 1570}
   (( segid "    " and resid 16   and name HD3 ))
   (  segid "    " and resid 18   and name HE% )
      6.000     4.800     0.000 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.575 ppm2      6.521 CV     1
 OR { 1570}
   (( segid "    " and resid 16   and name HD2 ))
   (  segid "    " and resid 18   and name HE% )
 ASSI { 1571}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 44   and name HG2%)
      3.100     1.500     1.500 peak  1571 spectrum    1 weight  0.10000E+01 volume  0.36521E-02 ppm1      0.601 ppm2      0.830 CV     1
 ASSI { 1572}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 7    and name HD3 ))
      6.000     4.800     0.000 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.806 ppm2      3.686 CV     1
 ASSI { 1577}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      6.000     4.800     0.000 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.358 ppm2      2.707 CV     1
 ASSI { 1582}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      6.000     4.800     0.000 peak  1582 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.783 ppm2      8.563 CV     1
 OR { 1582}
   (( segid "    " and resid 22   and name HB3 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 1584}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HG  ))
      4.000     2.300     2.000 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.15010E-02 ppm1      8.201 ppm2      1.469 CV     1
 ASSI { 1586}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 17   and name HA  ))
      4.200     2.500     1.800 peak  1586 spectrum    1 weight  0.10000E+01 volume  0.78300E-03 ppm1      0.759 ppm2      5.204 CV     1
 ASSI { 1587}
   (  segid "    " and resid 44   and name HG1%)
   (( segid "    " and resid 19   and name HA  ))
      6.000     4.800     0.000 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.761 ppm2      5.358 CV     1
 ASSI { 1588}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
      6.000     4.800     0.000 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.828 ppm2      5.358 CV     1
 ASSI { 1593}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 47   and name HB2 ))
      2.800     1.300     1.300 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.70938E-02 ppm1      0.661 ppm2      2.564 CV     1
 ASSI { 1595}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 33   and name HB  ))
      4.000     2.300     2.000 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.11664E-02 ppm1      6.526 ppm2      1.825 CV     1
 ASSI { 1596}
   (  segid "    " and resid 18   and name HE% )
   (  segid "    " and resid 33   and name HG1%)
      3.800     2.100     2.100 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.16444E-02 ppm1      6.526 ppm2      0.743 CV     1
 ASSI { 1597}
   (  segid "    " and resid 18   and name HE% )
   (( segid "    " and resid 16   and name HG2 ))
      4.100     2.400     1.900 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.75909E-03 ppm1      6.526 ppm2      1.361 CV     1
 ASSI { 1604}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 46   and name HB2 ))
      6.000     4.800     0.000 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.882 ppm2      2.731 CV     1
 ASSI { 1606}
   (  segid "    " and resid 15   and name HE% )
   (( segid "    " and resid 10   and name HB3 ))
      6.000     4.800     0.000 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.673 ppm2      2.952 CV     1
 ASSI { 1607}
   (  segid "    " and resid 15   and name HD% )
   (( segid "    " and resid 10   and name HB3 ))
      6.000     4.800     0.000 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.880 ppm2      2.954 CV     1
 ASSI { 1608}
   (( segid "    " and resid 62   and name HD22))
   (( segid "    " and resid 62   and name HB2 ))
      5.600     4.200     0.400 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.41110E-03 ppm1      7.027 ppm2      2.677 CV     1
 ASSI { 1611}
   (( segid "    " and resid 62   and name HD21))
   (( segid "    " and resid 62   and name HB2 ))
      4.500     2.800     1.500 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.37764E-03 ppm1      7.368 ppm2      2.678 CV     1
 ASSI { 1612}
   (( segid "    " and resid 36   and name HG12))
   (( segid "    " and resid 7    and name HB3 ))
      3.600     1.900     1.900 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.19886E-02 ppm1      0.743 ppm2      2.292 CV     1
 ASSI { 1613}
   (  segid "    " and resid 36   and name HG2%)
   (( segid "    " and resid 7    and name HB3 ))
      6.000     4.800     0.000 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.805 ppm2      2.294 CV     1
 ASSI { 1615}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
      6.000     4.800     0.000 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.570 ppm2      5.617 CV     1
 ASSI { 1616}
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      6.000     4.800     0.000 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.801 ppm2      5.661 CV     1
 ASSI { 1621}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      6.000     4.800     0.000 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.747 ppm2      5.677 CV     1
 ASSI { 1622}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HB  ))
      6.000     4.800     0.000 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.709 ppm2      1.661 CV     1
 OR { 1622}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HB  ))
 ASSI { 1623}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 17   and name HB3 ))
      6.000     4.800     0.000 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.636 ppm2      1.890 CV     1
 ASSI { 1624}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 17   and name HB3 ))
      6.000     4.800     0.000 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.609 ppm2      1.891 CV     1
 ASSI { 1626}
   (  segid "    " and resid 5    and name HG2%)
   (( segid "    " and resid 34   and name HA1 ))
      6.000     4.800     0.000 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.636 ppm2      2.729 CV     1
 ASSI { 1627}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      3.200     1.600     1.600 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.11281E-02 ppm1      1.213 ppm2      3.834 CV     1
 ASSI { 1628}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 17   and name HB3 ))
      6.000     4.800     0.000 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.213 ppm2      1.891 CV     1
 ASSI { 1631}
   (  segid "    " and resid 9    and name HG2%)
   (( segid "    " and resid 17   and name HB2 ))
      6.000     4.800     0.000 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.213 ppm2      1.944 CV     1
 ASSI { 1633}
   (( segid "    " and resid 5    and name HG12))
   (( segid "    " and resid 5    and name HB  ))
      6.000     4.800     0.000 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.373 ppm2      1.957 CV     1
 ASSI { 1638}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 45   and name HB3 ))
      2.900     1.300     1.300 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.42162E-02 ppm1      2.573 ppm2      1.683 CV     1
 OR { 1638}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 1639}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 45   and name HB3 ))
      3.300     1.600     1.600 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.44456E-02 ppm1      2.706 ppm2      1.681 CV     1
 OR { 1639}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 1640}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.500     1.100     1.100 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.11472E-01 ppm1      8.953 ppm2      1.690 CV     1
 OR { 1640}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
 ASSI { 1641}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 45   and name HB3 ))
      4.200     2.500     1.800 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.10039E-02 ppm1      9.481 ppm2      1.680 CV     1
 OR { 1641}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 1643}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 33   and name HB  ))
      5.100     3.500     0.900 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.36521E-03 ppm1      6.733 ppm2      1.823 CV     1
 ASSI { 1644}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 45   and name HB3 ))
      6.000     4.800     0.000 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.733 ppm2      1.678 CV     1
 OR { 1644}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 1646}
   (( segid "    " and resid 19   and name HB3 ))
   (( segid "    " and resid 32   and name HN  ))
      6.000     4.800     0.000 peak  1646 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.014 ppm2      8.363 CV     1
 ASSI { 1647}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      4.100     2.400     1.900 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.15583E-02 ppm1      5.207 ppm2      9.011 CV     1
 ASSI { 1648}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      6.000     4.800     0.000 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.494 ppm2      9.010 CV     1
 ASSI { 1649}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.800     0.000 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.658 ppm2      9.001 CV     1
 ASSI { 1650}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      6.000     4.800     0.000 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.597 ppm2      9.002 CV     1
 ASSI { 1652}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.200     2.500     1.800 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.65201E-03 ppm1      5.495 ppm2      8.650 CV     1
 ASSI { 1655}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 10   and name HB3 ))
      4.400     2.700     1.600 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.65394E-03 ppm1      5.494 ppm2      2.961 CV     1
 ASSI { 1656}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HB3 ))
      5.200     3.700     0.800 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.10899E-02 ppm1      5.356 ppm2      2.833 CV     1
 ASSI { 1657}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 40   and name HB3 ))
      4.000     2.300     2.000 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.91399E-03 ppm1      5.356 ppm2      2.925 CV     1
 ASSI { 1658}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      5.200     3.600     0.800 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.24475E-03 ppm1      5.356 ppm2      2.559 CV     1
 ASSI { 1659}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      4.300     2.600     1.700 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.13576E-02 ppm1      5.206 ppm2      2.571 CV     1
 ASSI { 1660}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      4.900     3.300     1.100 peak  1660 spectrum    1 weight  0.10000E+01 volume  0.76198E-03 ppm1      5.494 ppm2      2.388 CV     1
 ASSI { 1662}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 21   and name HG2 ))
      4.800     3.200     1.200 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.94938E-04 ppm1      5.668 ppm2      2.382 CV     1
 OR { 1662}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 21   and name HG3 ))
 ASSI { 1665}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 5    and name HD1%)
      6.000     4.800     0.000 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.985 ppm2      0.598 CV     1
 ASSI { 1666}
   (( segid "    " and resid 61   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
      6.000     4.800     0.000 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.148 ppm2      0.703 CV     1
 ASSI { 1667}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 39   and name HG3 ))
      5.100     3.500     0.900 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.47516E-03 ppm1      1.226 ppm2      2.235 CV     1
 ASSI { 1668}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 39   and name HG3 ))
      4.300     2.600     1.700 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.58987E-03 ppm1      4.605 ppm2      2.235 CV     1
 ASSI { 1669}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 39   and name HG2 ))
      4.400     2.700     1.600 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.51818E-03 ppm1      4.614 ppm2      2.150 CV     1
 ASSI { 1670}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.800     0.000 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.658 ppm2      8.223 CV     1
 ASSI { 1672}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 18   and name HN  ))
      6.000     4.800     0.000 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.614 ppm2      9.475 CV     1
 ASSI { 1673}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 47   and name HN  ))
      6.000     4.800     0.000 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.658 ppm2      9.513 CV     1
 ASSI { 1674}
   (( segid "    " and resid 34   and name HA1 ))
   (( segid "    " and resid 17   and name HG3 ))
      2.600     1.100     1.100 peak  1674 spectrum    1 weight  0.11000E+01 volume  0.39007E-02 ppm1      2.737 ppm2      1.613 CV     1
 ASSI { 1675}
   (( segid "    " and resid 34   and name HA2 ))
   (( segid "    " and resid 35   and name HB  ))
      6.000     4.800     0.000 peak  1675 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.046 ppm2      1.832 CV     1
 ASSI { 1676}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 36   and name HD1%)
      5.000     3.400     1.000 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.65013E-03 ppm1      3.926 ppm2      1.503 CV     1
 ASSI { 1680}
   (( segid "    " and resid 28   and name HN  ))
   (  segid "    " and resid 27   and name HB% )
      3.200     1.600     1.600 peak  1680 spectrum    1 weight  0.10000E+01 volume  0.46177E-02 ppm1      8.138 ppm2      1.379 CV     1
 ASSI { 1681}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
      4.500     2.800     1.500 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.52011E-03 ppm1      0.664 ppm2      7.697 CV     1
 ASSI { 1682}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 21   and name HE21))
      4.000     2.300     2.000 peak  1682 spectrum    1 weight  0.10000E+01 volume  0.29064E-03 ppm1      1.324 ppm2      7.474 CV     1
 ASSI { 1684}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 28   and name HB3 ))
      6.000     4.800     0.000 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.702 ppm2      3.627 CV     1
 OR { 1684}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 28   and name HB3 ))
 ASSI { 1688}
   (( segid "    " and resid 28   and name HB2 ))
   (( segid "    " and resid 60   and name HG12))
      6.000     4.800     0.000 peak  1688 spectrum    1 weight  0.11000E+01 volume  0.00000E+00 ppm1      3.598 ppm2      1.415 CV     1
 ASSI { 1689}
   (( segid "    " and resid 28   and name HB3 ))
   (( segid "    " and resid 60   and name HG12))
      6.000     4.800     0.000 peak  1689 spectrum    1 weight  0.11000E+01 volume  0.00000E+00 ppm1      3.636 ppm2      1.417 CV     1
 ASSI { 1692}
   (( segid "    " and resid 6    and name HA2 ))
   (  segid "    " and resid 36   and name HG2%)
      6.000     4.800     0.000 peak  1692 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.647 ppm2      0.798 CV     1
 ASSI { 1693}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      4.300     2.700     1.700 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.11664E-02 ppm1      4.148 ppm2      2.681 CV     1
 ASSI { 1695}
   (( segid "    " and resid 67   and name HB  ))
   (( segid "    " and resid 46   and name HB3 ))
      4.100     2.400     1.900 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.18547E-02 ppm1      2.060 ppm2      2.863 CV     1
 ASSI { 1696}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 46   and name HB3 ))
      6.000     4.800     0.000 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.746 ppm2      2.861 CV     1
 ASSI { 1699}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 30   and name HA1 ))
      4.200     2.500     1.800 peak  1699 spectrum    1 weight  0.10000E+01 volume  0.82413E-03 ppm1      8.902 ppm2      3.543 CV     1
 ASSI { 1702}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 66   and name HB3 ))
      6.000     4.800     0.000 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.377 ppm2      2.951 CV     1
 ASSI { 1707}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.800     0.000 peak  1707 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.984 ppm2      2.725 CV     1
 ASSI { 1708}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 19   and name HB3 ))
      6.000     4.800     0.000 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.986 ppm2      3.008 CV     1
 ASSI { 1709}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      4.500     2.900     1.500 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.56214E-03 ppm1      4.982 ppm2      0.593 CV     1
 ASSI { 1711}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 46   and name HA  ))
      4.700     3.100     1.300 peak  1711 spectrum    1 weight  0.10000E+01 volume  0.35374E-03 ppm1      4.799 ppm2      5.488 CV     1
 ASSI { 1713}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 9    and name HG2%)
      3.900     2.200     2.100 peak  1713 spectrum    1 weight  0.10000E+01 volume  0.19121E-02 ppm1      7.565 ppm2      1.214 CV     1
 ASSI { 1720}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 36   and name HG2%)
      4.000     2.300     2.000 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.26004E-02 ppm1      8.631 ppm2      0.798 CV     1
 ASSI { 1726}
   (( segid "    " and resid 16   and name HE3 ))
   (  segid "    " and resid 33   and name HG2%)
      6.000     4.800     0.000 peak  1726 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.907 ppm2      0.903 CV     1
 OR { 1726}
   (( segid "    " and resid 16   and name HE2 ))
   (  segid "    " and resid 33   and name HG2%)
 ASSI { 1728}
   (( segid "    " and resid 12   and name HG13))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     4.800     0.000 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.244 ppm2      2.390 CV     1
 ASSI { 1729}
   (( segid "    " and resid 12   and name HB  ))
   (( segid "    " and resid 15   and name HB2 ))
      6.000     4.800     0.000 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.271 ppm2      2.390 CV     1
 ASSI { 1734}
   (( segid "    " and resid 39   and name HA  ))
   (  segid "    " and resid 4    and name HG2%)
      6.000     4.800     0.000 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.823 ppm2      0.952 CV     1
 ASSI { 1735}
   (( segid "    " and resid 39   and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      3.300     1.600     1.600 peak  1735 spectrum    1 weight  0.10000E+01 volume  0.26004E-02 ppm1      4.823 ppm2      8.630 CV     1
 ASSI { 1736}
   (  segid "    " and resid 44   and name HG2%)
   (( segid "    " and resid 20   and name HN  ))
      5.400     4.000     0.600 peak  1736 spectrum    1 weight  0.10000E+01 volume  0.24762E-03 ppm1      0.829 ppm2      9.839 CV     1
 ASSI { 1737}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     4.800     0.000 peak  1737 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.640 ppm2      9.510 CV     1
 ASSI { 1738}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 15   and name HD% )
      6.000     4.800     0.000 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.586 ppm2      6.880 CV     1
 ASSI { 1739}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      5.000     3.500     1.000 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.39676E-03 ppm1      5.354 ppm2      8.364 CV     1
 ASSI { 1740}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      6.000     4.800     0.000 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.362 ppm2      0.594 CV     1
 ASSI { 1741}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.800     0.000 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      5.596 ppm2      2.633 CV     1
 ASSI { 1744}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 3    and name HN  ))
      4.900     3.300     1.100 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.45030E-03 ppm1      2.927 ppm2      8.142 CV     1
 ASSI { 1746}
   (( segid "    " and resid 40   and name HB3 ))
   (( segid "    " and resid 3    and name HB  ))
      4.600     3.000     1.400 peak  1746 spectrum    1 weight  0.10000E+01 volume  0.59946E-03 ppm1      2.923 ppm2      3.928 CV     1
 ASSI { 1748}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HB3 ))
      4.500     2.800     1.500 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.58225E-03 ppm1      7.136 ppm2      2.925 CV     1
 ASSI { 1751}
   (  segid "    " and resid 3    and name HG2%)
   (( segid "    " and resid 40   and name HB2 ))
      4.100     2.400     1.900 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.13194E-02 ppm1      1.127 ppm2      2.558 CV     1
 ASSI { 1754}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      4.200     2.500     1.800 peak  1754 spectrum    1 weight  0.10000E+01 volume  0.93120E-03 ppm1      8.638 ppm2      8.971 CV     1
 ASSI { 1755}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      6.000     4.800     0.000 peak  1755 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.631 ppm2      9.039 CV     1
 ASSI { 1757}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 38   and name HN  ))
      6.000     4.800     0.000 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.604 ppm2      8.150 CV     1
 ASSI { 1759}
   (( segid "    " and resid 38   and name HB3 ))
   (( segid "    " and resid 5    and name HB  ))
      3.000     1.400     1.400 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.40058E-02 ppm1      3.935 ppm2      1.956 CV     1
 ASSI { 1760}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB  ))
      2.400     1.000     1.000 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.13767E-01 ppm1      8.787 ppm2      1.960 CV     1
 ASSI { 1761}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 9    and name HB  ))
      6.000     4.800     0.000 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.827 ppm2      3.910 CV     1
 ASSI { 1762}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      6.000     4.800     0.000 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.827 ppm2      3.756 CV     1
 ASSI { 1763}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
      6.000     4.800     0.000 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.459 ppm2      7.968 CV     1
 ASSI { 1764}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      5.200     3.600     0.800 peak  1764 spectrum    1 weight  0.10000E+01 volume  0.11664E-03 ppm1      2.395 ppm2      7.393 CV     1
 ASSI { 1768}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 15   and name HB3 ))
      6.000     4.800     0.000 peak  1768 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.457 ppm2      3.096 CV     1
 ASSI { 1769}
   (  segid "    " and resid 12   and name HD1%)
   (( segid "    " and resid 15   and name HB2 ))
      6.000     4.800     0.000 peak  1769 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.463 ppm2      2.392 CV     1
 ASSI { 1772}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 47   and name HN  ))
      6.000     4.800     0.000 peak  1772 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.631 ppm2      9.512 CV     1
 ASSI { 1776}
   (  segid "    " and resid 32   and name HG2%)
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.800     0.000 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.998 ppm2      2.718 CV     1
 ASSI { 1777}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      6.000     4.800     0.000 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.365 ppm2      2.715 CV     1
 ASSI { 1780}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB3 ))
      6.000     4.800     0.000 peak  1780 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.879 ppm2      3.787 CV     1
 OR { 1780}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
 ASSI { 1782}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      6.000     4.800     0.000 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.786 ppm2      3.361 CV     1
 ASSI { 1784}
   (( segid "    " and resid 18   and name HB3 ))
   (( segid "    " and resid 45   and name HG2 ))
      6.000     4.800     0.000 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.705 ppm2      1.180 CV     1
 ASSI { 1785}
   (  segid "    " and resid 18   and name HD% )
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.800     0.000 peak  1785 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      6.732 ppm2      2.633 CV     1
 ASSI { 1794}
   (( segid "    " and resid 46   and name HB2 ))
   (  segid "    " and resid 67   and name HG1%)
      6.000     4.800     0.000 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.732 ppm2      0.645 CV     1
 ASSI { 1795}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 46   and name HB3 ))
      6.000     4.800     0.000 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.251 ppm2      2.862 CV     1
 ASSI { 1796}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 62   and name HN  ))
      6.000     4.800     0.000 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.018 ppm2      8.605 CV     1
 ASSI { 1797}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.800     0.000 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.359 ppm2      8.897 CV     1
 ASSI { 1798}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      6.000     4.800     0.000 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      8.749 ppm2      8.938 CV     1
 ASSI { 1799}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      5.400     4.000     0.600 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.11472E-03 ppm1      7.975 ppm2      8.690 CV     1
 ASSI { 1800}
   (( segid "    " and resid 65   and name HD22))
   (( segid "    " and resid 65   and name HN  ))
      6.000     4.800     0.000 peak  1800 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      7.032 ppm2      8.154 CV     1
 ASSI { 1801}
   (( segid "    " and resid 7    and name HD3 ))
   (( segid "    " and resid 6    and name HA1 ))
      2.900     1.300     1.300 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.40919E-02 ppm1      3.683 ppm2      3.947 CV     1
 ASSI { 1802}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HA1 ))
      6.000     4.800     0.000 peak  1802 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.358 ppm2      3.525 CV     1
 ASSI { 1803}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 20   and name HB3 ))
      6.000     4.800     0.000 peak  1803 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      9.005 ppm2      2.829 CV     1
 ASSI { 1804}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 21   and name HN  ))
      6.000     4.800     0.000 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.699 ppm2      8.898 CV     1
 ASSI { 1805}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 30   and name HA1 ))
      3.600     1.900     1.900 peak  1805 spectrum    1 weight  0.10000E+01 volume  0.19312E-02 ppm1      0.708 ppm2      3.541 CV     1
 ASSI { 1810}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 22   and name HN  ))
      5.100     3.500     0.900 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.27630E-03 ppm1      1.324 ppm2      8.530 CV     1
 ASSI { 1812}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.800     0.000 peak  1812 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.179 ppm2      3.688 CV     1
 OR { 1812}
   (( segid "    " and resid 45   and name HG2 ))
   (( segid "    " and resid 43   and name HB3 ))
 ASSI { 1813}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 43   and name HB2 ))
      6.000     4.800     0.000 peak  1813 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.218 ppm2      3.688 CV     1
 OR { 1813}
   (( segid "    " and resid 45   and name HG3 ))
   (( segid "    " and resid 43   and name HB3 ))
 ASSI { 1815}
   (( segid "    " and resid 15   and name HB3 ))
   (( segid "    " and resid 46   and name HB3 ))
      6.000     4.800     0.000 peak  1815 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.118 ppm2      2.871 CV     1
 ASSI { 1824}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HA  ))
      3.400     1.700     1.700 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.22945E-02 ppm1      8.371 ppm2      4.306 CV     1
 ASSI { 1829}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HA2 ))
      3.200     1.600     1.600 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.32506E-02 ppm1      8.463 ppm2      4.006 CV     1
 ASSI { 1830}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA2 ))
      3.500     1.900     1.900 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.18356E-02 ppm1      8.142 ppm2      4.008 CV     1
 ASSI { 1835}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 45   and name HB2 ))
      3.200     1.600     1.600 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.17687E-02 ppm1      2.946 ppm2      1.687 CV     1
 OR { 1835}
   (( segid "    " and resid 66   and name HB3 ))
   (( segid "    " and resid 45   and name HB3 ))
 ASSI { 1837}
   (  segid "    " and resid 35   and name HG1%)
   (( segid "    " and resid 34   and name HA2 ))
      6.000     4.800     0.000 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.845 ppm2      4.041 CV     1
 ASSI { 1838}
   (  segid "    " and resid 35   and name HG2%)
   (( segid "    " and resid 34   and name HA2 ))
      6.000     4.800     0.000 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.873 ppm2      4.041 CV     1
 ASSI { 1840}
   (  segid "    " and resid 33   and name HG1%)
   (( segid "    " and resid 7    and name HD2 ))
      6.000     4.800     0.000 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.749 ppm2      3.477 CV     1
 ASSI { 1844}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 47   and name HB3 ))
      6.000     4.800     0.000 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.662 ppm2      2.978 CV     1
 ASSI { 1845}
   (( segid "    " and resid 61   and name HB  ))
   (( segid "    " and resid 47   and name HB3 ))
      6.000     4.800     0.000 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.422 ppm2      2.979 CV     1
 ASSI { 1846}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 20   and name HB2 ))
      6.000     4.800     0.000 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.701 ppm2      2.700 CV     1
 ASSI { 1847}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 20   and name HB3 ))
      6.000     4.800     0.000 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.701 ppm2      2.831 CV     1
 ASSI { 1849}
   (  segid "    " and resid 61   and name HG2%)
   (( segid "    " and resid 65   and name HB2 ))
      6.000     4.800     0.000 peak  1849 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.669 ppm2      2.782 CV     1
 ASSI { 1851}
   (( segid "    " and resid 48   and name HB3 ))
   (( segid "    " and resid 48   and name HE2 ))
      6.000     4.800     0.000 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.414 ppm2      2.816 CV     1
 OR { 1851}
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HE2 ))
 ASSI { 1852}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HE2 ))
      2.400     1.000     1.000 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.15488E-01 ppm1      1.621 ppm2      2.913 CV     1
 OR { 1852}
   (( segid "    " and resid 16   and name HG3 ))
   (( segid "    " and resid 16   and name HE3 ))
 ASSI { 1853}
   (( segid "    " and resid 61   and name HG13))
   (( segid "    " and resid 31   and name HB2 ))
      3.200     1.600     1.600 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.26004E-02 ppm1      0.980 ppm2      2.637 CV     1
 ASSI { 1854}
   (( segid "    " and resid 61   and name HG12))
   (( segid "    " and resid 31   and name HB2 ))
      6.000     4.800     0.000 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.594 ppm2      2.637 CV     1
 ASSI { 1858}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      3.400     1.800     1.800 peak  1858 spectrum    1 weight  0.10000E+01 volume  0.25909E-02 ppm1      8.618 ppm2      4.093 CV     1
 ASSI { 1862}
   (( segid "    " and resid 48   and name HG3 ))
   (( segid "    " and resid 48   and name HE3 ))
      6.000     4.800     0.000 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.022 ppm2      2.937 CV     1
 ASSI { 1863}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 66   and name HB3 ))
      6.000     4.800     0.000 peak  1863 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.711 ppm2      2.934 CV     1
 ASSI { 1864}
   (( segid "    " and resid 48   and name HE3 ))
   (( segid "    " and resid 48   and name HN  ))
      6.000     4.800     0.000 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.947 ppm2      8.227 CV     1
 ASSI { 1865}
   (( segid "    " and resid 48   and name HE3 ))
   (( segid "    " and resid 48   and name HD3 ))
      6.000     4.800     0.000 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.949 ppm2      1.398 CV     1
 OR { 1865}
   (( segid "    " and resid 48   and name HE3 ))
   (( segid "    " and resid 48   and name HD2 ))
 OR { 1865}
   (( segid "    " and resid 48   and name HE3 ))
   (( segid "    " and resid 48   and name HB3 ))
 ASSI { 1867}
   (( segid "    " and resid 48   and name HE3 ))
   (( segid "    " and resid 48   and name HG2 ))
      6.000     4.800     0.000 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.947 ppm2      0.988 CV     1
 ASSI { 1868}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG12))
      6.000     4.800     0.000 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.710 ppm2      1.400 CV     1
 OR { 1868}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HG12))
 ASSI { 1869}
   (( segid "    " and resid 19   and name HB3 ))
   (  segid "    " and resid 5    and name HD1%)
      4.300     2.600     1.700 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.96563E-03 ppm1      3.009 ppm2      0.601 CV     1
 ASSI { 1872}
   (( segid "    " and resid 45   and name HD3 ))
   (( segid "    " and resid 43   and name HB3 ))
      6.000     4.800     0.000 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.632 ppm2      3.685 CV     1
 ASSI { 1875}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HG2 ))
      2.500     1.100     1.100 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.11951E-01 ppm1      1.999 ppm2      2.386 CV     1
 OR { 1875}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HG3 ))
 ASSI { 1876}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HG3 ))
      2.500     1.100     1.100 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.17018E-01 ppm1      2.101 ppm2      2.381 CV     1
 OR { 1876}
   (( segid "    " and resid 21   and name HB3 ))
   (( segid "    " and resid 21   and name HG2 ))
 ASSI { 1877}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 21   and name HB2 ))
      6.000     4.800     0.000 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.325 ppm2      1.996 CV     1
 ASSI { 1878}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 42   and name HB% )
      6.000     4.800     0.000 peak  1878 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      4.623 ppm2      1.321 CV     1
 ASSI { 1879}
   (  segid "    " and resid 29   and name HD1%)
   (  segid "    " and resid 63   and name HB% )
      6.000     4.800     0.000 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.707 ppm2      1.319 CV     1
 ASSI { 1881}
   (  segid "    " and resid 63   and name HB% )
   (( segid "    " and resid 62   and name HB2 ))
      6.000     4.800     0.000 peak  1881 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.320 ppm2      2.678 CV     1
 ASSI { 1882}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 21   and name HE22))
      6.000     4.800     0.000 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.320 ppm2      6.802 CV     1
 ASSI { 1884}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 29   and name HN  ))
      6.000     4.800     0.000 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      3.772 ppm2      8.766 CV     1
 ASSI { 1885}
   (( segid "    " and resid 29   and name HG  ))
   (( segid "    " and resid 63   and name HN  ))
      6.000     4.800     0.000 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.493 ppm2      8.732 CV     1
 ASSI { 1888}
   (  segid "    " and resid 29   and name HD1%)
   (( segid "    " and resid 63   and name HA  ))
      6.000     4.800     0.000 peak  1888 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      0.701 ppm2      3.774 CV     1
 ASSI { 1894}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      6.000     5.500     0.000 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.60520E-04 ppm1      2.585 ppm2      5.489 CV     1
 ASSI { 1897}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      6.000     4.800     0.000 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      2.388 ppm2      5.665 CV     1
 ASSI { 1900}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 26   and name HB3 ))
      6.000     4.800     0.000 peak  1900 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.841 ppm2      3.697 CV     1
 ASSI { 1902}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 26   and name HB3 ))
      5.700     4.300     0.300 peak  1902 spectrum    1 weight  0.10000E+01 volume  0.21033E-03 ppm1      8.143 ppm2      3.696 CV     1
 ASSI { 1903}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 45   and name HB3 ))
      6.000     4.800     0.000 peak  1903 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1     -0.023 ppm2      1.682 CV     1
 OR { 1903}
   (  segid "    " and resid 61   and name HD1%)
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 1904}
   (  segid "    " and resid 42   and name HB% )
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.800     0.000 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.320 ppm2      5.597 CV     1
 ASSI { 1905}
   (  segid "    " and resid 29   and name HD2%)
   (( segid "    " and resid 20   and name HA  ))
      6.000     4.800     0.000 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.00000E+00 ppm1      1.184 ppm2      5.595 CV     1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           1H       SER   1  13.515   5.086   6.729
    2    H2   SER   1           2H       SER   1  11.902   5.346   6.280
    3    H3   SER   1           3H       SER   1  13.104   6.425   5.772
    4    HA   SER   1           HA       SER   1  14.029   4.089   4.832
    5    HB2  SER   1           2HB      SER   1  11.380   3.798   3.739
    6    HB3  SER   1           1HB      SER   1  12.365   2.602   4.584
    7    HG   SER   1           HG       SER   1  10.172   3.703   5.466
    8    H    ALA   2           H        ALA   2  13.933   4.024   2.421
    9    HA   ALA   2           HA       ALA   2  12.760   6.335   1.095
   10    HB1  ALA   2           1HB      ALA   2  15.733   5.837   1.143
   11    HB2  ALA   2           2HB      ALA   2  14.933   6.869  -0.045
   12    HB3  ALA   2           3HB      ALA   2  14.872   7.285   1.668
   13    H    THR   3           H        THR   3  12.208   3.563   1.047
   14    HA   THR   3           HA       THR   3  13.436   2.275  -1.166
   15    HB   THR   3           HB       THR   3  10.745   1.362  -0.459
   16    HG1  THR   3           1HG      THR   3  12.615   1.007   1.611
   17   HG21  THR   3          3HG2      THR   3  13.173   0.276  -1.354
   18   HG22  THR   3          1HG2      THR   3  11.683  -0.589  -0.993
   19   HG23  THR   3          2HG2      THR   3  12.913  -0.397   0.256
   20    H    THR   4           H        THR   4  12.796   2.104  -3.264
   21    HA   THR   4           HA       THR   4  10.943   4.065  -4.269
   22    HB   THR   4           HB       THR   4  12.036   1.883  -6.003
   23    HG1  THR   4           1HG      THR   4  13.818   2.554  -4.687
   24   HG21  THR   4          3HG2      THR   4  10.542   3.813  -6.774
   25   HG22  THR   4          1HG2      THR   4  12.032   3.538  -7.679
   26   HG23  THR   4          2HG2      THR   4  11.942   4.849  -6.504
   27    H    ILE   5           H        ILE   5   8.881   3.779  -4.799
   28    HA   ILE   5           HA       ILE   5   7.711   1.165  -4.238
   29    HB   ILE   5           HB       ILE   5   6.394   3.859  -4.602
   30   HG12  ILE   5          2HG1      ILE   5   6.831   2.220  -2.095
   31   HG13  ILE   5          1HG1      ILE   5   7.796   3.617  -2.550
   32   HG21  ILE   5          1HG2      ILE   5   4.887   2.089  -5.257
   33   HG22  ILE   5          2HG2      ILE   5   5.249   1.193  -3.779
   34   HG23  ILE   5          3HG2      ILE   5   4.391   2.732  -3.689
   35   HD11  ILE   5          3HD1      ILE   5   5.770   3.790  -0.875
   36   HD12  ILE   5          1HD1      ILE   5   6.167   5.097  -1.992
   37   HD13  ILE   5          2HD1      ILE   5   4.862   3.973  -2.375
   38    H    GLY   6           H        GLY   6   6.770  -0.078  -5.707
   39    HA2  GLY   6           1HA      GLY   6   5.601   0.970  -8.110
   40    HA3  GLY   6           2HA      GLY   6   7.062   0.034  -8.410
   41    HA   PRO   7           HA       PRO   7   3.200  -2.764  -7.816
   42    HB2  PRO   7           2HB      PRO   7   3.371  -3.061 -10.747
   43    HB3  PRO   7           1HB      PRO   7   1.951  -2.861  -9.716
   44    HG2  PRO   7           2HG      PRO   7   2.831  -0.881 -11.288
   45    HG3  PRO   7           1HG      PRO   7   2.123  -0.563  -9.694
   46    HD2  PRO   7           2HD      PRO   7   4.997  -0.569 -10.525
   47    HD3  PRO   7           1HD      PRO   7   4.141   0.514  -9.402
   48    H    ASN   8           H        ASN   8   5.600  -3.469  -7.097
   49    HA   ASN   8           HA       ASN   8   6.039  -6.043  -8.366
   50    HB2  ASN   8           2HB      ASN   8   7.572  -4.637  -9.631
   51    HB3  ASN   8           1HB      ASN   8   8.217  -3.947  -8.147
   52   HD21  ASN   8          1HD2      ASN   8   8.499  -6.404 -10.445
   53   HD22  ASN   8          2HD2      ASN   8   9.721  -7.335  -9.654
   54    H    THR   9           H        THR   9   7.062  -3.706  -5.926
   55    HA   THR   9           HA       THR   9   8.249  -5.437  -4.102
   56    HB   THR   9           HB       THR   9   6.706  -3.157  -3.011
   57    HG1  THR   9           1HG      THR   9   8.956  -2.605  -4.644
   58   HG21  THR   9          3HG2      THR   9   8.293  -3.394  -1.458
   59   HG22  THR   9          1HG2      THR   9   9.500  -2.910  -2.650
   60   HG23  THR   9          2HG2      THR   9   9.105  -4.617  -2.438
   61    H    CYS  10           H        CYS  10   4.946  -4.098  -3.975
   62    HA   CYS  10           HA       CYS  10   4.146  -6.506  -2.485
   63    HB2  CYS  10           2HB      CYS  10   2.828  -3.820  -2.142
   64    HB3  CYS  10           1HB      CYS  10   2.711  -5.235  -1.102
   65    H    SER  11           H        SER  11   3.270  -7.644  -4.160
   66    HA   SER  11           HA       SER  11   0.691  -6.830  -5.101
   67    HB2  SER  11           2HB      SER  11   1.778  -7.380  -7.571
   68    HB3  SER  11           1HB      SER  11   1.432  -5.764  -6.960
   69    HG   SER  11           HG       SER  11   3.754  -6.686  -7.675
   70    H    ILE  12           H        ILE  12   2.369  -9.032  -3.794
   71    HA   ILE  12           HA       ILE  12   2.213 -11.249  -5.618
   72    HB   ILE  12           HB       ILE  12   2.680 -11.635  -2.693
   73   HG12  ILE  12          2HG1      ILE  12   5.192 -11.108  -3.856
   74   HG13  ILE  12          1HG1      ILE  12   4.155  -9.771  -4.335
   75   HG21  ILE  12          1HG2      ILE  12   2.676 -13.535  -4.238
   76   HG22  ILE  12          2HG2      ILE  12   3.979 -12.785  -5.161
   77   HG23  ILE  12          3HG2      ILE  12   4.260 -13.300  -3.499
   78   HD11  ILE  12          3HD1      ILE  12   3.975  -8.975  -2.224
   79   HD12  ILE  12          1HD1      ILE  12   4.102 -10.575  -1.491
   80   HD13  ILE  12          2HD1      ILE  12   5.547  -9.763  -2.087
   81    H    ASP  13           H        ASP  13   1.054 -11.215  -2.267
   82    HA   ASP  13           HA       ASP  13  -1.162 -12.911  -2.948
   83    HB2  ASP  13           2HB      ASP  13   0.055 -13.113  -0.804
   84    HB3  ASP  13           1HB      ASP  13  -0.501 -11.509  -0.345
   85    H    ASP  14           H        ASP  14  -1.715 -11.045  -4.548
   86    HA   ASP  14           HA       ASP  14  -3.036  -9.330  -5.244
   87    HB2  ASP  14           2HB      ASP  14  -4.655 -11.121  -4.090
   88    HB3  ASP  14           1HB      ASP  14  -4.970  -9.755  -3.022
   89    H    TYR  15           H        TYR  15  -1.012  -8.339  -3.861
   90    HA   TYR  15           HA       TYR  15  -2.074  -6.598  -1.762
   91    HB2  TYR  15           2HB      TYR  15   0.708  -7.560  -2.417
   92    HB3  TYR  15           1HB      TYR  15   0.428  -6.217  -1.313
   93    HD1  TYR  15           1HD      TYR  15  -2.182  -7.442  -0.158
   94    HD2  TYR  15           2HD      TYR  15   1.731  -8.980  -0.768
   95    HE1  TYR  15           1HE      TYR  15  -2.534  -9.033   1.675
   96    HE2  TYR  15           2HE      TYR  15   1.389 -10.579   1.071
   97    HH   TYR  15           HH       TYR  15  -1.139 -11.630   2.118
   98    H    LYS  16           H        LYS  16  -1.383  -4.427  -1.642
   99    HA   LYS  16           HA       LYS  16  -0.370  -3.251  -4.145
  100    HB2  LYS  16           2HB      LYS  16  -2.252  -1.926  -2.178
  101    HB3  LYS  16           1HB      LYS  16  -1.683  -1.255  -3.696
  102    HG2  LYS  16           2HG      LYS  16  -2.829  -3.460  -4.641
  103    HG3  LYS  16           1HG      LYS  16  -3.795  -3.253  -3.178
  104    HD2  LYS  16           2HD      LYS  16  -3.356  -0.798  -4.737
  105    HD3  LYS  16           1HD      LYS  16  -4.313  -2.033  -5.554
  106    HE2  LYS  16           2HE      LYS  16  -5.024  -1.521  -2.741
  107    HE3  LYS  16           1HE      LYS  16  -5.333  -0.192  -3.858
  108    HZ1  LYS  16           3HZ      LYS  16  -7.033  -2.207  -3.429
  109    HZ2  LYS  16           1HZ      LYS  16  -6.187  -2.808  -4.775
  110    HZ3  LYS  16           2HZ      LYS  16  -6.981  -1.314  -4.871
  111    HA   PRO  17           HA       PRO  17   2.777  -1.688  -1.405
  112    HB2  PRO  17           2HB      PRO  17   3.803   0.282  -2.943
  113    HB3  PRO  17           1HB      PRO  17   4.083  -1.429  -3.287
  114    HG2  PRO  17           2HG      PRO  17   2.152   0.470  -4.554
  115    HG3  PRO  17           1HG      PRO  17   3.160  -0.774  -5.312
  116    HD2  PRO  17           2HD      PRO  17   0.500  -1.104  -4.752
  117    HD3  PRO  17           1HD      PRO  17   1.658  -2.446  -4.849
  118    H    TYR  18           H        TYR  18   1.831  -0.750   0.328
  119    HA   TYR  18           HA       TYR  18   0.391   1.773  -0.061
  120    HB2  TYR  18           2HB      TYR  18   0.320  -0.374   2.027
  121    HB3  TYR  18           1HB      TYR  18  -0.258   1.244   2.412
  122    HD1  TYR  18           1HD      TYR  18  -2.066   2.236   0.853
  123    HD2  TYR  18           2HD      TYR  18  -1.097  -1.902   0.991
  124    HE1  TYR  18           1HE      TYR  18  -4.255   1.695  -0.125
  125    HE2  TYR  18           2HE      TYR  18  -3.278  -2.453   0.007
  126    HH   TYR  18           HH       TYR  18  -5.796  -0.714   0.034
  127    H    CYS  19           H        CYS  19   1.416   3.592   0.364
  128    HA   CYS  19           HA       CYS  19   3.717   3.627   2.145
  129    HB2  CYS  19           2HB      CYS  19   3.154   5.034  -0.118
  130    HB3  CYS  19           1HB      CYS  19   2.644   6.181   1.117
  131    H    CYS  20           H        CYS  20   2.750   3.162   4.127
  132    HA   CYS  20           HA       CYS  20   0.474   4.641   5.051
  133    HB2  CYS  20           2HB      CYS  20   2.303   2.784   6.587
  134    HB3  CYS  20           1HB      CYS  20   0.711   3.334   7.094
  135    H    GLN  21           H        GLN  21   0.613   6.650   5.719
  136    HA   GLN  21           HA       GLN  21   3.117   7.760   6.638
  137    HB2  GLN  21           2HB      GLN  21   0.369   8.958   6.275
  138    HB3  GLN  21           1HB      GLN  21   1.769   9.872   6.822
  139    HG2  GLN  21           2HG      GLN  21   1.749   8.351   4.240
  140    HG3  GLN  21           1HG      GLN  21   1.186  10.017   4.363
  141   HE21  GLN  21          1HE2      GLN  21   2.636  11.623   4.377
  142   HE22  GLN  21          2HE2      GLN  21   4.355  11.398   4.347
  143    H    SER  22           H        SER  22   2.852   5.993   8.405
  144    HA   SER  22           HA       SER  22   1.209   6.704  10.644
  145    HB2  SER  22           2HB      SER  22   3.478   4.914  11.158
  146    HB3  SER  22           1HB      SER  22   1.751   4.642  11.394
  147    HG   SER  22           HG       SER  22   3.365   3.893   9.325
  148    H    MET  23           H        MET  23   1.643   8.465  11.792
  149    HA   MET  23           HA       MET  23   4.465   9.128  12.336
  150    HB2  MET  23           2HB      MET  23   2.222  10.762  11.363
  151    HB3  MET  23           1HB      MET  23   3.120  11.490  12.687
  152    HG2  MET  23           2HG      MET  23   4.816  12.020  11.362
  153    HG3  MET  23           1HG      MET  23   4.888  10.396  10.682
  154    HE1  MET  23           3HE      MET  23   4.010  10.999   7.182
  155    HE2  MET  23           1HE      MET  23   5.350  10.712   8.293
  156    HE3  MET  23           2HE      MET  23   3.901   9.709   8.377
  157    H    SER  24           H        SER  24   4.062  11.118  14.190
  158    HA   SER  24           HA       SER  24   3.574   9.714  16.572
  159    HB2  SER  24           2HB      SER  24   3.281  12.586  16.846
  160    HB3  SER  24           1HB      SER  24   4.565  11.536  17.445
  161    HG   SER  24           HG       SER  24   4.709  13.281  15.468
  162    H    GLY  25           H        GLY  25   1.601   8.921  17.043
  163    HA2  GLY  25           1HA      GLY  25  -0.594   9.131  17.836
  164    HA3  GLY  25           2HA      GLY  25  -0.654  10.765  17.187
  165    H    SER  26           H        SER  26  -0.257   7.434  15.965
  166    HA   SER  26           HA       SER  26  -2.443   7.946  14.084
  167    HB2  SER  26           2HB      SER  26   0.193   6.718  13.232
  168    HB3  SER  26           1HB      SER  26  -1.210   7.024  12.204
  169    HG   SER  26           HG       SER  26  -0.343   9.239  13.555
  170    H    ALA  27           H        ALA  27  -3.808   6.566  15.142
  171    HA   ALA  27           HA       ALA  27  -3.017   3.893  15.863
  172    HB1  ALA  27           1HB      ALA  27  -5.473   3.622  16.334
  173    HB2  ALA  27           2HB      ALA  27  -4.678   4.923  17.219
  174    HB3  ALA  27           3HB      ALA  27  -5.681   5.295  15.816
  175    H    SER  28           H        SER  28  -4.743   5.446  13.252
  176    HA   SER  28           HA       SER  28  -4.769   2.891  11.794
  177    HB2  SER  28           2HB      SER  28  -6.224   5.138  10.586
  178    HB3  SER  28           1HB      SER  28  -6.750   3.479  10.865
  179    HG   SER  28           HG       SER  28  -6.585   5.467  12.890
  180    H    LEU  29           H        LEU  29  -3.486   2.705  10.032
  181    HA   LEU  29           HA       LEU  29  -1.569   4.818   9.629
  182    HB2  LEU  29           2HB      LEU  29  -1.298   2.719   7.693
  183    HB3  LEU  29           1HB      LEU  29  -0.205   3.193   8.976
  184    HG   LEU  29           HG       LEU  29  -2.346   1.671  10.117
  185   HD11  LEU  29          1HD1      LEU  29  -2.814   0.147   8.582
  186   HD12  LEU  29          2HD1      LEU  29  -1.644   0.847   7.464
  187   HD13  LEU  29          3HD1      LEU  29  -1.129  -0.369   8.634
  188   HD21  LEU  29          3HD2      LEU  29   0.389   2.017  10.394
  189   HD22  LEU  29          1HD2      LEU  29  -0.635   0.928  11.331
  190   HD23  LEU  29          2HD2      LEU  29   0.207   0.333   9.900
  191    H    GLY  30           H        GLY  30  -1.738   6.376   8.199
  192    HA2  GLY  30           1HA      GLY  30  -3.786   6.355   6.174
  193    HA3  GLY  30           2HA      GLY  30  -2.604   7.629   6.453
  194    H    CYS  31           H        CYS  31  -3.076   4.451   5.024
  195    HA   CYS  31           HA       CYS  31  -0.498   4.553   3.704
  196    HB2  CYS  31           2HB      CYS  31  -2.654   2.474   3.367
  197    HB3  CYS  31           1HB      CYS  31  -0.934   2.305   3.037
  198    H    VAL  32           H        VAL  32  -0.537   6.087   2.129
  199    HA   VAL  32           HA       VAL  32  -2.669   6.183   0.180
  200    HB   VAL  32           HB       VAL  32  -0.157   7.428  -0.647
  201   HG11  VAL  32          1HG1      VAL  32  -1.572   9.321  -1.058
  202   HG12  VAL  32          2HG1      VAL  32  -2.416   7.863  -1.585
  203   HG13  VAL  32          3HG1      VAL  32  -2.855   8.634  -0.061
  204   HG21  VAL  32          3HG2      VAL  32  -1.162   7.911   2.106
  205   HG22  VAL  32          1HG2      VAL  32   0.481   7.983   1.468
  206   HG23  VAL  32          2HG2      VAL  32  -0.643   9.306   1.161
  207    H    VAL  33           H        VAL  33  -2.601   5.372  -1.919
  208    HA   VAL  33           HA       VAL  33  -1.116   3.029  -2.361
  209    HB   VAL  33           HB       VAL  33  -2.509   4.800  -4.381
  210   HG11  VAL  33          1HG1      VAL  33  -0.658   2.768  -4.896
  211   HG12  VAL  33          2HG1      VAL  33  -2.240   2.031  -5.157
  212   HG13  VAL  33          3HG1      VAL  33  -1.791   3.491  -6.038
  213   HG21  VAL  33          3HG2      VAL  33  -3.737   3.518  -2.433
  214   HG22  VAL  33          1HG2      VAL  33  -4.408   3.554  -4.062
  215   HG23  VAL  33          2HG2      VAL  33  -3.517   2.137  -3.507
  216    H    GLY  34           H        GLY  34   0.931   2.756  -2.887
  217    HA2  GLY  34           1HA      GLY  34   2.682   4.918  -3.352
  218    HA3  GLY  34           2HA      GLY  34   3.073   3.215  -3.522
  219    H    VAL  35           H        VAL  35   2.869   6.067  -5.133
  220    HA   VAL  35           HA       VAL  35   2.005   5.070  -7.691
  221    HB   VAL  35           HB       VAL  35   3.624   7.579  -7.333
  222   HG11  VAL  35          1HG1      VAL  35   1.802   6.432  -9.346
  223   HG12  VAL  35          2HG1      VAL  35   1.636   8.165  -9.061
  224   HG13  VAL  35          3HG1      VAL  35   3.195   7.495  -9.548
  225   HG21  VAL  35          3HG2      VAL  35   1.370   8.732  -6.997
  226   HG22  VAL  35          1HG2      VAL  35   0.756   7.141  -6.550
  227   HG23  VAL  35          2HG2      VAL  35   2.052   7.879  -5.611
  228    H    ILE  36           H        ILE  36   3.277   4.404  -9.366
  229    HA   ILE  36           HA       ILE  36   5.729   3.193  -8.783
  230    HB   ILE  36           HB       ILE  36   5.042   4.002 -11.587
  231   HG12  ILE  36          2HG1      ILE  36   3.794   1.571 -10.319
  232   HG13  ILE  36          1HG1      ILE  36   2.998   3.142 -10.214
  233   HG21  ILE  36          1HG2      ILE  36   7.000   2.416 -10.493
  234   HG22  ILE  36          2HG2      ILE  36   5.793   1.244 -11.024
  235   HG23  ILE  36          3HG2      ILE  36   6.473   2.394 -12.175
  236   HD11  ILE  36          3HD1      ILE  36   2.749   3.276 -12.559
  237   HD12  ILE  36          1HD1      ILE  36   3.831   1.908 -12.821
  238   HD13  ILE  36          2HD1      ILE  36   2.248   1.654 -12.086
  239    H    GLY  37           H        GLY  37   7.489   4.267  -8.193
  240    HA2  GLY  37           1HA      GLY  37   9.405   5.497  -9.178
  241    HA3  GLY  37           2HA      GLY  37   8.230   6.678  -9.742
  242    H    SER  38           H        SER  38   6.768   6.254  -7.098
  243    HA   SER  38           HA       SER  38   8.052   8.412  -5.714
  244    HB2  SER  38           2HB      SER  38   5.744   6.678  -4.809
  245    HB3  SER  38           1HB      SER  38   6.172   8.266  -4.181
  246    HG   SER  38           HG       SER  38   5.896   8.797  -6.626
  247    H    GLN  39           H        GLN  39   8.667   8.318  -3.422
  248    HA   GLN  39           HA       GLN  39   9.752   5.675  -2.681
  249    HB2  GLN  39           2HB      GLN  39  10.753   8.467  -2.254
  250    HB3  GLN  39           1HB      GLN  39  11.191   7.207  -1.108
  251    HG2  GLN  39           2HG      GLN  39  12.856   6.647  -2.444
  252    HG3  GLN  39           1HG      GLN  39  11.671   6.123  -3.640
  253   HE21  GLN  39          1HE2      GLN  39  10.994   7.637  -5.224
  254   HE22  GLN  39          2HE2      GLN  39  12.017   8.953  -5.686
  255    H    CYS  40           H        CYS  40   9.420   4.903  -0.624
  256    HA   CYS  40           HA       CYS  40   7.379   6.312   0.946
  257    HB2  CYS  40           2HB      CYS  40   7.485   3.685   0.222
  258    HB3  CYS  40           1HB      CYS  40   8.229   3.619   1.817
  259    H    GLY  41           H        GLY  41   8.171   7.626   2.420
  260    HA2  GLY  41           1HA      GLY  41  10.807   7.188   3.550
  261    HA3  GLY  41           2HA      GLY  41   9.756   8.568   3.844
  262    H    ALA  42           H        ALA  42   7.469   6.873   4.473
  263    HA   ALA  42           HA       ALA  42   8.185   6.305   7.243
  264    HB1  ALA  42           1HB      ALA  42   6.299   7.540   7.402
  265    HB2  ALA  42           2HB      ALA  42   5.722   7.059   5.806
  266    HB3  ALA  42           3HB      ALA  42   5.518   5.974   7.181
  267    H    SER  43           H        SER  43   5.640   4.579   7.241
  268    HA   SER  43           HA       SER  43   7.096   2.101   6.973
  269    HB2  SER  43           2HB      SER  43   4.297   1.815   7.674
  270    HB3  SER  43           1HB      SER  43   5.733   1.422   8.621
  271    HG   SER  43           HG       SER  43   5.566   3.252   9.663
  272    H    VAL  44           H        VAL  44   7.283   1.488   4.857
  273    HA   VAL  44           HA       VAL  44   5.007   1.518   3.085
  274    HB   VAL  44           HB       VAL  44   7.070   1.815   1.973
  275   HG11  VAL  44          1HG1      VAL  44   8.352   0.660   3.922
  276   HG12  VAL  44          2HG1      VAL  44   8.236  -0.771   2.898
  277   HG13  VAL  44          3HG1      VAL  44   9.042   0.680   2.300
  278   HG21  VAL  44          3HG2      VAL  44   5.451   0.238   0.889
  279   HG22  VAL  44          1HG2      VAL  44   7.124   0.076   0.353
  280   HG23  VAL  44          2HG2      VAL  44   6.443  -1.088   1.490
  281    H    LYS  45           H        LYS  45   3.439   0.060   3.178
  282    HA   LYS  45           HA       LYS  45   4.049  -2.569   4.369
  283    HB2  LYS  45           2HB      LYS  45   1.517  -0.922   4.529
  284    HB3  LYS  45           1HB      LYS  45   1.641  -2.588   5.079
  285    HG2  LYS  45           2HG      LYS  45   3.375  -0.370   6.137
  286    HG3  LYS  45           1HG      LYS  45   1.830  -0.830   6.860
  287    HD2  LYS  45           2HD      LYS  45   2.762  -2.569   7.901
  288    HD3  LYS  45           1HD      LYS  45   3.506  -3.141   6.405
  289    HE2  LYS  45           2HE      LYS  45   4.764  -0.762   7.560
  290    HE3  LYS  45           1HE      LYS  45   4.865  -2.199   8.573
  291    HZ1  LYS  45           3HZ      LYS  45   5.921  -3.396   6.813
  292    HZ2  LYS  45           1HZ      LYS  45   6.747  -1.923   7.010
  293    HZ3  LYS  45           2HZ      LYS  45   5.672  -2.124   5.717
  294    H    CYS  46           H        CYS  46   3.258  -4.387   3.407
  295    HA   CYS  46           HA       CYS  46   2.085  -4.025   0.747
  296    HB2  CYS  46           2HB      CYS  46   3.167  -6.566   1.979
  297    HB3  CYS  46           1HB      CYS  46   2.748  -6.302   0.289
  298    H    CYS  47           H        CYS  47  -0.005  -3.500   1.474
  299    HA   CYS  47           HA       CYS  47  -1.445  -5.608   2.925
  300    HB2  CYS  47           2HB      CYS  47  -2.417  -2.803   2.356
  301    HB3  CYS  47           1HB      CYS  47  -3.095  -3.963   3.494
  302    H    LYS  48           H        LYS  48  -3.522  -6.264   2.201
  303    HA   LYS  48           HA       LYS  48  -3.632  -6.834  -0.557
  304    HB2  LYS  48           2HB      LYS  48  -4.819  -7.825   1.705
  305    HB3  LYS  48           1HB      LYS  48  -6.168  -7.022   0.914
  306    HG2  LYS  48           2HG      LYS  48  -6.071  -8.404  -0.938
  307    HG3  LYS  48           1HG      LYS  48  -4.410  -8.900  -0.608
  308    HD2  LYS  48           2HD      LYS  48  -6.628  -9.566   1.296
  309    HD3  LYS  48           1HD      LYS  48  -6.320 -10.565  -0.124
  310    HE2  LYS  48           2HE      LYS  48  -3.812 -10.257   0.942
  311    HE3  LYS  48           1HE      LYS  48  -4.829 -10.344   2.379
  312    HZ1  LYS  48           3HZ      LYS  48  -5.415 -12.482   1.952
  313    HZ2  LYS  48           1HZ      LYS  48  -3.884 -12.489   1.217
  314    HZ3  LYS  48           2HZ      LYS  48  -5.283 -12.321   0.269
  315    H    ASP  49           H        ASP  49  -6.086  -5.094   1.326
  316    HA   ASP  49           HA       ASP  49  -6.293  -2.906  -0.480
  317    HB2  ASP  49           2HB      ASP  49  -7.334  -4.657  -1.889
  318    HB3  ASP  49           1HB      ASP  49  -8.480  -5.003  -0.600
  319    H    ASP  50           H        ASP  50  -8.225  -4.954   1.657
  320    HA   ASP  50           HA       ASP  50  -9.164  -4.624   3.675
  321    HB2  ASP  50           2HB      ASP  50  -7.276  -2.661   3.778
  322    HB3  ASP  50           1HB      ASP  50  -8.750  -1.698   3.816
  323    H    VAL  51           H        VAL  51  -9.532  -1.624   1.841
  324    HA   VAL  51           HA       VAL  51 -12.090  -2.059   0.860
  325    HB   VAL  51           HB       VAL  51 -13.119  -2.094   2.943
  326   HG11  VAL  51          1HG1      VAL  51 -11.527   0.216   4.007
  327   HG12  VAL  51          2HG1      VAL  51 -12.422  -1.020   4.893
  328   HG13  VAL  51          3HG1      VAL  51 -10.913  -1.446   4.069
  329   HG21  VAL  51          3HG2      VAL  51 -14.524  -0.557   2.098
  330   HG22  VAL  51          1HG2      VAL  51 -13.800   0.504   3.307
  331   HG23  VAL  51          2HG2      VAL  51 -13.219   0.536   1.642
  332    H    THR  52           H        THR  52 -11.850  -0.792  -0.869
  333    HA   THR  52           HA       THR  52 -10.172   1.560  -0.724
  334    HB   THR  52           HB       THR  52 -11.484   1.295  -3.264
  335    HG1  THR  52           1HG      THR  52 -10.180  -1.077  -2.319
  336   HG21  THR  52          3HG2      THR  52  -9.042   0.719  -3.891
  337   HG22  THR  52          1HG2      THR  52  -8.688   1.081  -2.202
  338   HG23  THR  52          2HG2      THR  52  -9.396   2.318  -3.240
  339    H    ASN  53           H        ASN  53 -12.344   1.937   0.854
  340    HA   ASN  53           HA       ASN  53 -13.583   4.247  -0.377
  341    HB2  ASN  53           2HB      ASN  53 -15.039   2.065  -0.704
  342    HB3  ASN  53           1HB      ASN  53 -15.466   2.353   0.981
  343   HD21  ASN  53          1HD2      ASN  53 -17.539   2.442  -0.510
  344   HD22  ASN  53          2HD2      ASN  53 -18.037   4.064  -0.894
  345    H    THR  54           H        THR  54 -14.574   5.659   1.231
  346    HA   THR  54           HA       THR  54 -14.332   6.859   3.147
  347    HB   THR  54           HB       THR  54 -14.088   4.290   4.699
  348    HG1  THR  54           1HG      THR  54 -16.134   5.039   3.030
  349   HG21  THR  54          3HG2      THR  54 -15.919   6.443   5.523
  350   HG22  THR  54          1HG2      THR  54 -14.207   6.870   5.520
  351   HG23  THR  54          2HG2      THR  54 -14.773   5.501   6.476
  352    H    GLY  55           H        GLY  55 -12.112   6.959   1.880
  353    HA2  GLY  55           1HA      GLY  55 -10.033   7.581   3.419
  354    HA3  GLY  55           2HA      GLY  55  -9.895   5.828   3.389
  355    H    ASN  56           H        ASN  56 -10.593   8.385   1.023
  356    HA   ASN  56           HA       ASN  56  -9.103   6.944  -1.002
  357    HB2  ASN  56           2HB      ASN  56  -9.752   9.228  -2.257
  358    HB3  ASN  56           1HB      ASN  56 -10.875   7.884  -2.089
  359   HD21  ASN  56          1HD2      ASN  56 -10.353  11.152  -1.515
  360   HD22  ASN  56          2HD2      ASN  56 -11.722  11.452  -0.486
  361    H    SER  57           H        SER  57  -8.875   9.993   0.776
  362    HA   SER  57           HA       SER  57  -6.315  10.647  -0.395
  363    HB2  SER  57           2HB      SER  57  -7.132  12.055   2.065
  364    HB3  SER  57           1HB      SER  57  -6.653  12.710   0.498
  365    HG   SER  57           HG       SER  57  -8.787  12.023  -0.248
  366    H    GLY  58           H        GLY  58  -5.529   8.450   0.273
  367    HA2  GLY  58           1HA      GLY  58  -3.841   7.482   1.631
  368    HA3  GLY  58           2HA      GLY  58  -4.307   8.568   2.940
  369    H    LEU  59           H        LEU  59  -4.776   5.498   1.497
  370    HA   LEU  59           HA       LEU  59  -7.357   4.875   2.400
  371    HB2  LEU  59           2HB      LEU  59  -5.089   3.443   1.247
  372    HB3  LEU  59           1HB      LEU  59  -6.019   2.459   2.362
  373    HG   LEU  59           HG       LEU  59  -7.973   3.638   0.809
  374   HD11  LEU  59          1HD1      LEU  59  -7.292   4.005  -1.283
  375   HD12  LEU  59          2HD1      LEU  59  -5.666   4.073  -0.604
  376   HD13  LEU  59          3HD1      LEU  59  -6.269   2.568  -1.300
  377   HD21  LEU  59          3HD2      LEU  59  -8.034   1.355  -0.283
  378   HD22  LEU  59          1HD2      LEU  59  -6.601   0.964   0.668
  379   HD23  LEU  59          2HD2      LEU  59  -8.113   1.378   1.478
  380    H    ILE  60           H        ILE  60  -8.115   4.526   4.340
  381    HA   ILE  60           HA       ILE  60  -6.363   4.402   6.620
  382    HB   ILE  60           HB       ILE  60  -9.356   4.045   6.687
  383   HG12  ILE  60          2HG1      ILE  60  -7.878   6.685   6.758
  384   HG13  ILE  60          1HG1      ILE  60  -8.729   6.070   5.344
  385   HG21  ILE  60          1HG2      ILE  60  -9.188   4.893   8.915
  386   HG22  ILE  60          2HG2      ILE  60  -7.994   3.610   8.729
  387   HG23  ILE  60          3HG2      ILE  60  -7.486   5.298   8.690
  388   HD11  ILE  60          3HD1      ILE  60  -9.986   6.685   8.009
  389   HD12  ILE  60          1HD1      ILE  60 -10.050   7.710   6.576
  390   HD13  ILE  60          2HD1      ILE  60 -10.827   6.125   6.564
  391    H    ILE  61           H        ILE  61  -5.319   2.415   6.084
  392    HA   ILE  61           HA       ILE  61  -6.815  -0.036   6.039
  393    HB   ILE  61           HB       ILE  61  -3.841   0.253   6.460
  394   HG12  ILE  61          2HG1      ILE  61  -4.621   1.519   4.448
  395   HG13  ILE  61          1HG1      ILE  61  -3.540   0.185   4.069
  396   HG21  ILE  61          1HG2      ILE  61  -3.661  -1.969   5.677
  397   HG22  ILE  61          2HG2      ILE  61  -4.987  -1.973   6.840
  398   HG23  ILE  61          3HG2      ILE  61  -5.330  -1.983   5.110
  399   HD11  ILE  61          3HD1      ILE  61  -6.497   0.371   3.641
  400   HD12  ILE  61          1HD1      ILE  61  -5.223   0.108   2.453
  401   HD13  ILE  61          2HD1      ILE  61  -5.637  -1.168   3.596
  402    H    ASN  62           H        ASN  62  -7.187  -1.447   7.684
  403    HA   ASN  62           HA       ASN  62  -6.875  -0.439  10.368
  404    HB2  ASN  62           2HB      ASN  62  -8.815  -1.867   9.342
  405    HB3  ASN  62           1HB      ASN  62  -7.786  -3.232   9.770
  406   HD21  ASN  62          1HD2      ASN  62  -9.730  -3.691  11.115
  407   HD22  ASN  62          2HD2      ASN  62  -9.793  -2.994  12.699
  408    H    ALA  63           H        ALA  63  -4.613  -1.563   8.521
  409    HA   ALA  63           HA       ALA  63  -2.524  -2.368   8.855
  410    HB1  ALA  63           1HB      ALA  63  -2.530  -1.001  10.868
  411    HB2  ALA  63           2HB      ALA  63  -3.256  -2.327  11.779
  412    HB3  ALA  63           3HB      ALA  63  -1.631  -2.498  11.118
  413    H    ALA  64           H        ALA  64  -5.171  -4.177   9.163
  414    HA   ALA  64           HA       ALA  64  -3.692  -6.602   9.946
  415    HB1  ALA  64           1HB      ALA  64  -6.567  -5.840  10.383
  416    HB2  ALA  64           2HB      ALA  64  -6.002  -7.505  10.513
  417    HB3  ALA  64           3HB      ALA  64  -5.347  -6.267  11.584
  418    H    ASN  65           H        ASN  65  -3.810  -5.463   7.278
  419    HA   ASN  65           HA       ASN  65  -4.994  -7.786   5.928
  420    HB2  ASN  65           2HB      ASN  65  -6.069  -5.212   5.711
  421    HB3  ASN  65           1HB      ASN  65  -5.107  -5.413   4.247
  422   HD21  ASN  65          1HD2      ASN  65  -8.110  -5.594   5.243
  423   HD22  ASN  65          2HD2      ASN  65  -8.695  -6.931   4.311
  424    H    CYS  66           H        CYS  66  -2.282  -7.046   6.773
  425    HA   CYS  66           HA       CYS  66  -0.975  -7.044   4.143
  426    HB2  CYS  66           2HB      CYS  66   0.494  -5.673   6.308
  427    HB3  CYS  66           1HB      CYS  66   0.356  -5.258   4.602
  428    H    VAL  67           H        VAL  67   1.102  -8.068   4.093
  429    HA   VAL  67           HA       VAL  67   1.409 -10.223   5.956
  430    HB   VAL  67           HB       VAL  67   3.764 -10.294   4.693
  431   HG11  VAL  67          1HG1      VAL  67   2.898 -12.114   3.736
  432   HG12  VAL  67          2HG1      VAL  67   1.387 -11.664   4.526
  433   HG13  VAL  67          3HG1      VAL  67   1.687 -11.181   2.856
  434   HG21  VAL  67          3HG2      VAL  67   3.694  -9.442   2.474
  435   HG22  VAL  67          1HG2      VAL  67   2.005  -8.961   2.645
  436   HG23  VAL  67          2HG2      VAL  67   3.259  -8.114   3.551
  437    H    ALA  68           H        ALA  68   3.341  -7.362   5.145
  438    HA   ALA  68           HA       ALA  68   4.029  -6.793   7.826
  439    HB1  ALA  68           1HB      ALA  68   5.503  -8.777   7.401
  440    HB2  ALA  68           2HB      ALA  68   6.301  -7.843   6.136
  441    HB3  ALA  68           3HB      ALA  68   6.375  -7.300   7.813
  Start of MODEL    2
    1    H1   SER   1           1H       SER   1  15.250   3.023   5.507
    2    H2   SER   1           2H       SER   1  16.253   4.337   5.142
    3    H3   SER   1           3H       SER   1  15.289   3.644   3.926
    4    HA   SER   1           HA       SER   1  13.647   4.379   6.074
    5    HB2  SER   1           2HB      SER   1  14.442   6.954   5.211
    6    HB3  SER   1           1HB      SER   1  14.576   6.268   6.832
    7    HG   SER   1           HG       SER   1  16.633   6.740   6.306
    8    H    ALA   2           H        ALA   2  14.860   5.909   3.084
    9    HA   ALA   2           HA       ALA   2  12.132   6.183   2.128
   10    HB1  ALA   2           1HB      ALA   2  14.473   7.678   1.818
   11    HB2  ALA   2           2HB      ALA   2  14.133   7.002   0.226
   12    HB3  ALA   2           3HB      ALA   2  12.910   7.966   1.053
   13    H    THR   3           H        THR   3  11.351   4.281   1.437
   14    HA   THR   3           HA       THR   3  12.967   2.550  -0.266
   15    HB   THR   3           HB       THR   3  10.102   1.938   0.227
   16    HG1  THR   3           1HG      THR   3  12.107   1.882   2.266
   17   HG21  THR   3          3HG2      THR   3  10.917   0.018  -0.582
   18   HG22  THR   3          1HG2      THR   3  11.725  -0.189   0.973
   19   HG23  THR   3          2HG2      THR   3  12.583   0.561  -0.373
   20    H    THR   4           H        THR   4  12.649   2.282  -2.432
   21    HA   THR   4           HA       THR   4  11.030   4.277  -3.769
   22    HB   THR   4           HB       THR   4  12.478   2.128  -5.264
   23    HG1  THR   4           1HG      THR   4  14.192   2.615  -4.073
   24   HG21  THR   4          3HG2      THR   4  11.135   4.257  -6.133
   25   HG22  THR   4          1HG2      THR   4  12.580   3.667  -6.955
   26   HG23  THR   4          2HG2      THR   4  12.692   5.036  -5.850
   27    H    ILE   5           H        ILE   5   9.225   3.873  -5.009
   28    HA   ILE   5           HA       ILE   5   7.954   1.295  -4.395
   29    HB   ILE   5           HB       ILE   5   6.626   3.894  -5.154
   30   HG12  ILE   5          2HG1      ILE   5   6.328   2.779  -2.431
   31   HG13  ILE   5          1HG1      ILE   5   7.911   3.453  -2.812
   32   HG21  ILE   5          1HG2      ILE   5   4.887   2.569  -5.563
   33   HG22  ILE   5          2HG2      ILE   5   5.678   1.168  -4.837
   34   HG23  ILE   5          3HG2      ILE   5   4.807   2.315  -3.818
   35   HD11  ILE   5          3HD1      ILE   5   7.044   5.407  -2.210
   36   HD12  ILE   5          1HD1      ILE   5   6.179   5.370  -3.746
   37   HD13  ILE   5          2HD1      ILE   5   5.394   4.788  -2.276
   38    H    GLY   6           H        GLY   6   7.339  -0.041  -5.923
   39    HA2  GLY   6           1HA      GLY   6   6.781   0.992  -8.618
   40    HA3  GLY   6           2HA      GLY   6   7.795  -0.437  -8.419
   41    HA   PRO   7           HA       PRO   7   2.919  -1.124  -8.271
   42    HB2  PRO   7           2HB      PRO   7   2.890  -2.281 -10.832
   43    HB3  PRO   7           1HB      PRO   7   2.231  -0.706 -10.384
   44    HG2  PRO   7           2HG      PRO   7   4.850  -1.383 -11.631
   45    HG3  PRO   7           1HG      PRO   7   3.812   0.030 -11.891
   46    HD2  PRO   7           2HD      PRO   7   6.044   0.213 -10.435
   47    HD3  PRO   7           1HD      PRO   7   4.572   1.099  -9.970
   48    H    ASN   8           H        ASN   8   5.657  -2.928  -9.605
   49    HA   ASN   8           HA       ASN   8   4.444  -5.416  -8.634
   50    HB2  ASN   8           2HB      ASN   8   5.344  -5.206 -11.027
   51    HB3  ASN   8           1HB      ASN   8   6.948  -5.227 -10.301
   52   HD21  ASN   8          1HD2      ASN   8   7.835  -7.139 -10.470
   53   HD22  ASN   8          2HD2      ASN   8   7.037  -8.662 -10.290
   54    H    THR   9           H        THR   9   4.975  -4.375  -6.470
   55    HA   THR   9           HA       THR   9   7.731  -4.947  -5.645
   56    HB   THR   9           HB       THR   9   6.412  -4.063  -3.392
   57    HG1  THR   9           1HG      THR   9   5.504  -2.408  -5.523
   58   HG21  THR   9          3HG2      THR   9   7.806  -2.367  -5.469
   59   HG22  THR   9          1HG2      THR   9   8.606  -3.314  -4.214
   60   HG23  THR   9          2HG2      THR   9   7.577  -1.951  -3.769
   61    H    CYS  10           H        CYS  10   4.483  -5.435  -4.288
   62    HA   CYS  10           HA       CYS  10   5.250  -8.199  -3.611
   63    HB2  CYS  10           2HB      CYS  10   3.412  -6.255  -2.209
   64    HB3  CYS  10           1HB      CYS  10   3.300  -7.989  -1.935
   65    H    SER  11           H        SER  11   3.732  -9.843  -4.144
   66    HA   SER  11           HA       SER  11   1.365  -9.187  -5.614
   67    HB2  SER  11           2HB      SER  11   3.729 -10.296  -7.154
   68    HB3  SER  11           1HB      SER  11   2.100 -10.074  -7.789
   69    HG   SER  11           HG       SER  11   2.895  -7.764  -6.730
   70    H    ILE  12           H        ILE  12   2.204 -10.869  -3.382
   71    HA   ILE  12           HA       ILE  12   1.762 -13.588  -4.248
   72    HB   ILE  12           HB       ILE  12   1.245 -12.637  -1.445
   73   HG12  ILE  12          2HG1      ILE  12   3.995 -13.462  -1.824
   74   HG13  ILE  12          1HG1      ILE  12   3.628 -12.038  -2.792
   75   HG21  ILE  12          1HG2      ILE  12   1.792 -14.801  -0.811
   76   HG22  ILE  12          2HG2      ILE  12   0.932 -15.019  -2.336
   77   HG23  ILE  12          3HG2      ILE  12   2.693 -15.113  -2.299
   78   HD11  ILE  12          3HD1      ILE  12   4.536 -11.581  -0.514
   79   HD12  ILE  12          1HD1      ILE  12   2.992 -10.805  -0.868
   80   HD13  ILE  12          2HD1      ILE  12   3.043 -12.246   0.146
   81    H    ASP  13           H        ASP  13  -0.034 -11.622  -1.965
   82    HA   ASP  13           HA       ASP  13  -2.589 -12.312  -3.196
   83    HB2  ASP  13           2HB      ASP  13  -1.973 -12.153  -0.620
   84    HB3  ASP  13           1HB      ASP  13  -2.258 -10.438  -0.877
   85    H    ASP  14           H        ASP  14  -4.009  -9.976  -2.835
   86    HA   ASP  14           HA       ASP  14  -2.809  -8.118  -4.682
   87    HB2  ASP  14           2HB      ASP  14  -5.379  -8.630  -4.136
   88    HB3  ASP  14           1HB      ASP  14  -5.139  -7.291  -3.018
   89    H    TYR  15           H        TYR  15  -1.013  -8.387  -2.811
   90    HA   TYR  15           HA       TYR  15  -1.252  -6.378  -0.731
   91    HB2  TYR  15           2HB      TYR  15   0.861  -8.385  -1.510
   92    HB3  TYR  15           1HB      TYR  15   1.200  -7.114  -0.343
   93    HD1  TYR  15           2HD      TYR  15  -1.471  -7.083   1.068
   94    HD2  TYR  15           1HD      TYR  15   1.028 -10.300  -0.153
   95    HE1  TYR  15           2HE      TYR  15  -2.398  -8.478   2.868
   96    HE2  TYR  15           1HE      TYR  15   0.107 -11.705   1.644
   97    HH   TYR  15           HH       TYR  15  -1.764 -10.455   4.200
   98    H    LYS  16           H        LYS  16  -1.505  -4.574  -2.173
   99    HA   LYS  16           HA       LYS  16   0.600  -3.947  -4.041
  100    HB2  LYS  16           2HB      LYS  16  -1.538  -2.037  -3.125
  101    HB3  LYS  16           1HB      LYS  16  -0.704  -2.082  -4.670
  102    HG2  LYS  16           2HG      LYS  16  -2.027  -3.738  -5.501
  103    HG3  LYS  16           1HG      LYS  16  -2.361  -4.424  -3.910
  104    HD2  LYS  16           2HD      LYS  16  -4.252  -3.266  -3.759
  105    HD3  LYS  16           1HD      LYS  16  -3.394  -1.753  -4.061
  106    HE2  LYS  16           2HE      LYS  16  -4.307  -1.626  -6.078
  107    HE3  LYS  16           1HE      LYS  16  -3.586  -3.173  -6.513
  108    HZ1  LYS  16           3HZ      LYS  16  -5.523  -4.253  -5.416
  109    HZ2  LYS  16           1HZ      LYS  16  -5.916  -3.354  -6.803
  110    HZ3  LYS  16           2HZ      LYS  16  -6.241  -2.721  -5.258
  111    HA   PRO  17           HA       PRO  17   3.180  -1.493  -1.393
  112    HB2  PRO  17           2HB      PRO  17   3.896   0.545  -3.056
  113    HB3  PRO  17           1HB      PRO  17   4.568  -1.084  -3.186
  114    HG2  PRO  17           2HG      PRO  17   2.352   0.178  -4.755
  115    HG3  PRO  17           1HG      PRO  17   3.702  -0.821  -5.330
  116    HD2  PRO  17           2HD      PRO  17   1.230  -1.837  -4.981
  117    HD3  PRO  17           1HD      PRO  17   2.690  -2.791  -4.654
  118    H    TYR  18           H        TYR  18   2.285  -0.396   0.233
  119    HA   TYR  18           HA       TYR  18   0.678   1.980  -0.419
  120    HB2  TYR  18           2HB      TYR  18   0.097  -0.289   1.446
  121    HB3  TYR  18           1HB      TYR  18  -0.496   1.318   1.846
  122    HD1  TYR  18           1HD      TYR  18  -1.997   2.491   0.195
  123    HD2  TYR  18           2HD      TYR  18  -1.024  -1.631  -0.135
  124    HE1  TYR  18           1HE      TYR  18  -3.930   2.163  -1.282
  125    HE2  TYR  18           2HE      TYR  18  -2.955  -1.978  -1.617
  126    HH   TYR  18           HH       TYR  18  -5.453   0.096  -1.909
  127    H    CYS  19           H        CYS  19   1.256   3.789   0.583
  128    HA   CYS  19           HA       CYS  19   3.421   3.650   2.543
  129    HB2  CYS  19           2HB      CYS  19   2.268   6.001   1.023
  130    HB3  CYS  19           1HB      CYS  19   3.608   6.103   2.157
  131    H    CYS  20           H        CYS  20   2.542   3.210   4.485
  132    HA   CYS  20           HA       CYS  20   0.106   4.478   5.375
  133    HB2  CYS  20           2HB      CYS  20   1.939   2.370   6.392
  134    HB3  CYS  20           1HB      CYS  20   1.005   3.257   7.589
  135    H    GLN  21           H        GLN  21   0.030   6.406   6.318
  136    HA   GLN  21           HA       GLN  21   2.494   7.592   7.345
  137    HB2  GLN  21           2HB      GLN  21   0.103   8.592   6.096
  138    HB3  GLN  21           1HB      GLN  21   0.339   9.395   7.644
  139    HG2  GLN  21           2HG      GLN  21   2.600   9.152   5.703
  140    HG3  GLN  21           1HG      GLN  21   1.375  10.402   5.501
  141   HE21  GLN  21          1HE2      GLN  21   4.186  10.727   6.048
  142   HE22  GLN  21          2HE2      GLN  21   4.302  11.587   7.544
  143    H    SER  22           H        SER  22   2.924   6.976   9.382
  144    HA   SER  22           HA       SER  22   0.882   6.646  11.372
  145    HB2  SER  22           2HB      SER  22   3.570   6.990  12.422
  146    HB3  SER  22           1HB      SER  22   2.522   5.570  12.474
  147    HG   SER  22           HG       SER  22   3.528   4.757  10.805
  148    H    MET  23           H        MET  23  -0.164   8.381  12.110
  149    HA   MET  23           HA       MET  23   1.224  10.956  12.126
  150    HB2  MET  23           2HB      MET  23  -1.721  10.296  12.327
  151    HB3  MET  23           1HB      MET  23  -1.052  11.924  12.336
  152    HG2  MET  23           2HG      MET  23  -0.404  11.810  10.110
  153    HG3  MET  23           1HG      MET  23  -0.473  10.049  10.079
  154    HE1  MET  23           3HE      MET  23  -3.500   9.182   8.567
  155    HE2  MET  23           1HE      MET  23  -2.020   8.750   9.424
  156    HE3  MET  23           2HE      MET  23  -3.542   8.887  10.306
  157    H    SER  24           H        SER  24   0.533  12.477  13.931
  158    HA   SER  24           HA       SER  24   1.428  11.376  16.368
  159    HB2  SER  24           2HB      SER  24   0.192  13.876  16.861
  160    HB3  SER  24           1HB      SER  24   1.914  13.548  16.637
  161    HG   SER  24           HG       SER  24   1.455  14.946  15.034
  162    H    GLY  25           H        GLY  25  -1.753  12.668  15.400
  163    HA2  GLY  25           1HA      GLY  25  -2.920  11.562  17.846
  164    HA3  GLY  25           2HA      GLY  25  -3.704  12.672  16.731
  165    H    SER  26           H        SER  26  -3.332  11.381  14.324
  166    HA   SER  26           HA       SER  26  -5.332   9.321  14.545
  167    HB2  SER  26           2HB      SER  26  -3.904   9.908  11.984
  168    HB3  SER  26           1HB      SER  26  -5.609   9.554  12.258
  169    HG   SER  26           HG       SER  26  -5.332  11.729  13.529
  170    H    ALA  27           H        ALA  27  -4.689   7.415  15.304
  171    HA   ALA  27           HA       ALA  27  -2.075   6.333  14.614
  172    HB1  ALA  27           1HB      ALA  27  -2.652   6.091  16.895
  173    HB2  ALA  27           2HB      ALA  27  -4.243   5.441  16.500
  174    HB3  ALA  27           3HB      ALA  27  -2.797   4.483  16.182
  175    H    SER  28           H        SER  28  -4.977   6.394  13.144
  176    HA   SER  28           HA       SER  28  -5.244   3.699  12.268
  177    HB2  SER  28           2HB      SER  28  -6.271   5.930  10.587
  178    HB3  SER  28           1HB      SER  28  -7.087   4.464  11.137
  179    HG   SER  28           HG       SER  28  -7.855   5.545  12.756
  180    H    LEU  29           H        LEU  29  -4.543   2.767  10.343
  181    HA   LEU  29           HA       LEU  29  -2.075   3.862   9.346
  182    HB2  LEU  29           2HB      LEU  29  -3.527   1.279   9.083
  183    HB3  LEU  29           1HB      LEU  29  -2.336   1.684   7.861
  184    HG   LEU  29           HG       LEU  29  -1.911   1.171  10.788
  185   HD11  LEU  29          1HD1      LEU  29  -0.206   0.165   8.569
  186   HD12  LEU  29          2HD1      LEU  29  -0.619  -0.591  10.110
  187   HD13  LEU  29          3HD1      LEU  29  -1.804  -0.544   8.803
  188   HD21  LEU  29          3HD2      LEU  29  -0.217   2.775   8.915
  189   HD22  LEU  29          1HD2      LEU  29  -0.649   3.110  10.592
  190   HD23  LEU  29          2HD2      LEU  29   0.515   1.839  10.220
  191    H    GLY  30           H        GLY  30  -2.770   5.721   8.243
  192    HA2  GLY  30           1HA      GLY  30  -4.527   5.546   5.979
  193    HA3  GLY  30           2HA      GLY  30  -3.506   6.915   6.404
  194    H    CYS  31           H        CYS  31  -3.519   3.743   4.891
  195    HA   CYS  31           HA       CYS  31  -0.905   4.152   3.716
  196    HB2  CYS  31           2HB      CYS  31  -2.653   1.917   4.298
  197    HB3  CYS  31           1HB      CYS  31  -2.052   1.838   2.643
  198    H    VAL  32           H        VAL  32  -0.825   5.469   2.013
  199    HA   VAL  32           HA       VAL  32  -2.975   5.422   0.030
  200    HB   VAL  32           HB       VAL  32  -1.749   7.293  -1.051
  201   HG11  VAL  32          1HG1      VAL  32  -2.219   7.823   1.873
  202   HG12  VAL  32          2HG1      VAL  32  -2.368   8.958   0.531
  203   HG13  VAL  32          3HG1      VAL  32  -3.511   7.624   0.689
  204   HG21  VAL  32          3HG2      VAL  32   0.359   6.416   0.637
  205   HG22  VAL  32          1HG2      VAL  32   0.381   7.682  -0.590
  206   HG23  VAL  32          2HG2      VAL  32  -0.047   8.075   1.075
  207    H    VAL  33           H        VAL  33  -2.515   5.062  -2.229
  208    HA   VAL  33           HA       VAL  33  -0.892   2.811  -2.703
  209    HB   VAL  33           HB       VAL  33  -1.833   4.726  -4.838
  210   HG11  VAL  33          1HG1      VAL  33  -0.998   1.848  -4.810
  211   HG12  VAL  33          2HG1      VAL  33  -2.030   2.488  -6.089
  212   HG13  VAL  33          3HG1      VAL  33  -0.419   3.162  -5.833
  213   HG21  VAL  33          3HG2      VAL  33  -3.585   3.854  -3.091
  214   HG22  VAL  33          1HG2      VAL  33  -3.958   3.849  -4.814
  215   HG23  VAL  33          2HG2      VAL  33  -3.453   2.360  -4.019
  216    H    GLY  34           H        GLY  34   1.173   2.588  -3.213
  217    HA2  GLY  34           1HA      GLY  34   2.976   4.765  -3.150
  218    HA3  GLY  34           2HA      GLY  34   3.359   3.119  -3.631
  219    H    VAL  35           H        VAL  35   3.783   6.026  -4.698
  220    HA   VAL  35           HA       VAL  35   2.642   5.882  -7.338
  221    HB   VAL  35           HB       VAL  35   4.833   7.798  -6.633
  222   HG11  VAL  35          1HG1      VAL  35   3.837   9.199  -8.216
  223   HG12  VAL  35          2HG1      VAL  35   3.682   7.588  -8.915
  224   HG13  VAL  35          3HG1      VAL  35   2.296   8.347  -8.133
  225   HG21  VAL  35          3HG2      VAL  35   2.387   7.515  -5.148
  226   HG22  VAL  35          1HG2      VAL  35   3.723   8.641  -4.896
  227   HG23  VAL  35          2HG2      VAL  35   2.408   9.064  -5.994
  228    H    ILE  36           H        ILE  36   3.610   5.326  -9.187
  229    HA   ILE  36           HA       ILE  36   5.750   3.503  -9.145
  230    HB   ILE  36           HB       ILE  36   4.725   4.986 -11.567
  231   HG12  ILE  36          2HG1      ILE  36   3.565   2.375 -11.249
  232   HG13  ILE  36          1HG1      ILE  36   3.259   3.332  -9.803
  233   HG21  ILE  36          1HG2      ILE  36   5.298   2.307 -12.150
  234   HG22  ILE  36          2HG2      ILE  36   6.190   3.739 -12.663
  235   HG23  ILE  36          3HG2      ILE  36   6.649   2.898 -11.181
  236   HD11  ILE  36          3HD1      ILE  36   2.729   4.459 -12.521
  237   HD12  ILE  36          1HD1      ILE  36   1.562   3.404 -11.724
  238   HD13  ILE  36          2HD1      ILE  36   2.039   4.921 -10.963
  239    H    GLY  37           H        GLY  37   7.795   4.059  -8.716
  240    HA2  GLY  37           1HA      GLY  37   9.882   4.870  -9.413
  241    HA3  GLY  37           2HA      GLY  37   9.061   6.031 -10.446
  242    H    SER  38           H        SER  38   7.819   5.908  -7.284
  243    HA   SER  38           HA       SER  38   9.355   8.321  -6.582
  244    HB2  SER  38           2HB      SER  38   6.656   7.478  -5.503
  245    HB3  SER  38           1HB      SER  38   7.468   9.022  -5.241
  246    HG   SER  38           HG       SER  38   6.892   9.680  -7.175
  247    H    GLN  39           H        GLN  39   9.450   8.637  -4.106
  248    HA   GLN  39           HA       GLN  39  10.180   6.060  -2.868
  249    HB2  GLN  39           2HB      GLN  39  11.848   8.269  -3.483
  250    HB3  GLN  39           1HB      GLN  39  11.667   8.231  -1.735
  251    HG2  GLN  39           2HG      GLN  39  12.667   6.160  -1.540
  252    HG3  GLN  39           1HG      GLN  39  12.345   5.735  -3.221
  253   HE21  GLN  39          1HE2      GLN  39  14.406   5.233  -3.779
  254   HE22  GLN  39          2HE2      GLN  39  15.695   6.395  -3.840
  255    H    CYS  40           H        CYS  40   9.485   5.712  -0.832
  256    HA   CYS  40           HA       CYS  40   7.967   7.888   0.452
  257    HB2  CYS  40           2HB      CYS  40   7.313   5.085  -0.074
  258    HB3  CYS  40           1HB      CYS  40   7.047   5.560   1.601
  259    H    GLY  41           H        GLY  41   8.481   8.447   2.490
  260    HA2  GLY  41           1HA      GLY  41  10.634   6.893   3.783
  261    HA3  GLY  41           2HA      GLY  41  10.384   8.621   3.986
  262    H    ALA  42           H        ALA  42   7.744   6.347   4.003
  263    HA   ALA  42           HA       ALA  42   7.482   6.716   6.910
  264    HB1  ALA  42           1HB      ALA  42   5.016   6.610   6.561
  265    HB2  ALA  42           2HB      ALA  42   5.773   8.023   5.827
  266    HB3  ALA  42           3HB      ALA  42   5.302   6.651   4.822
  267    H    SER  43           H        SER  43   5.206   4.941   7.057
  268    HA   SER  43           HA       SER  43   6.589   2.429   7.047
  269    HB2  SER  43           2HB      SER  43   3.739   2.204   7.495
  270    HB3  SER  43           1HB      SER  43   5.070   1.896   8.610
  271    HG   SER  43           HG       SER  43   3.659   4.298   8.132
  272    H    VAL  44           H        VAL  44   7.026   2.216   4.795
  273    HA   VAL  44           HA       VAL  44   4.856   1.913   2.921
  274    HB   VAL  44           HB       VAL  44   7.599   0.854   2.358
  275   HG11  VAL  44          1HG1      VAL  44   7.019   2.063   0.154
  276   HG12  VAL  44          2HG1      VAL  44   6.173   0.568   0.550
  277   HG13  VAL  44          3HG1      VAL  44   5.379   2.124   0.800
  278   HG21  VAL  44          3HG2      VAL  44   7.071   3.771   1.995
  279   HG22  VAL  44          1HG2      VAL  44   7.635   3.177   3.554
  280   HG23  VAL  44          2HG2      VAL  44   8.609   2.914   2.108
  281    H    LYS  45           H        LYS  45   3.563   0.191   3.028
  282    HA   LYS  45           HA       LYS  45   4.779  -2.410   3.693
  283    HB2  LYS  45           2HB      LYS  45   1.934  -1.790   4.393
  284    HB3  LYS  45           1HB      LYS  45   3.009  -2.996   5.084
  285    HG2  LYS  45           2HG      LYS  45   4.177  -0.502   5.625
  286    HG3  LYS  45           1HG      LYS  45   2.458  -0.340   5.985
  287    HD2  LYS  45           2HD      LYS  45   3.026  -1.234   7.968
  288    HD3  LYS  45           1HD      LYS  45   2.992  -2.758   7.082
  289    HE2  LYS  45           2HE      LYS  45   5.401  -2.514   6.629
  290    HE3  LYS  45           1HE      LYS  45   5.413  -1.036   7.589
  291    HZ1  LYS  45           3HZ      LYS  45   6.024  -3.375   8.611
  292    HZ2  LYS  45           1HZ      LYS  45   4.344  -3.452   8.835
  293    HZ3  LYS  45           2HZ      LYS  45   5.227  -2.181   9.523
  294    H    CYS  46           H        CYS  46   3.703  -4.267   2.819
  295    HA   CYS  46           HA       CYS  46   2.246  -3.739   0.351
  296    HB2  CYS  46           2HB      CYS  46   3.187  -6.381   1.503
  297    HB3  CYS  46           1HB      CYS  46   2.547  -6.119  -0.114
  298    H    CYS  47           H        CYS  47   0.160  -3.292   0.757
  299    HA   CYS  47           HA       CYS  47  -1.164  -4.790   2.917
  300    HB2  CYS  47           2HB      CYS  47  -1.850  -2.081   1.765
  301    HB3  CYS  47           1HB      CYS  47  -2.704  -2.880   3.082
  302    H    LYS  48           H        LYS  48  -3.162  -5.685   2.625
  303    HA   LYS  48           HA       LYS  48  -3.780  -6.467  -0.075
  304    HB2  LYS  48           2HB      LYS  48  -4.076  -8.227   1.401
  305    HB3  LYS  48           1HB      LYS  48  -4.756  -7.201   2.654
  306    HG2  LYS  48           2HG      LYS  48  -6.723  -8.057   2.064
  307    HG3  LYS  48           1HG      LYS  48  -6.617  -7.017   0.644
  308    HD2  LYS  48           2HD      LYS  48  -5.114  -9.443   0.248
  309    HD3  LYS  48           1HD      LYS  48  -6.783  -9.807   0.692
  310    HE2  LYS  48           2HE      LYS  48  -7.354  -7.984  -1.071
  311    HE3  LYS  48           1HE      LYS  48  -5.728  -8.307  -1.665
  312    HZ1  LYS  48           3HZ      LYS  48  -6.281 -10.574  -2.046
  313    HZ2  LYS  48           1HZ      LYS  48  -7.503  -9.633  -2.757
  314    HZ3  LYS  48           2HZ      LYS  48  -7.785 -10.407  -1.277
  315    H    ASP  49           H        ASP  49  -4.943  -5.252  -1.374
  316    HA   ASP  49           HA       ASP  49  -6.715  -3.198  -0.499
  317    HB2  ASP  49           2HB      ASP  49  -5.540  -3.162  -2.684
  318    HB3  ASP  49           1HB      ASP  49  -6.526  -4.516  -3.216
  319    H    ASP  50           H        ASP  50  -8.643  -3.467   0.320
  320    HA   ASP  50           HA       ASP  50 -10.066  -5.987  -0.172
  321    HB2  ASP  50           2HB      ASP  50  -9.439  -5.013   2.197
  322    HB3  ASP  50           1HB      ASP  50 -10.888  -4.044   1.948
  323    H    VAL  51           H        VAL  51  -9.986  -3.021  -1.441
  324    HA   VAL  51           HA       VAL  51 -12.918  -2.843  -1.727
  325    HB   VAL  51           HB       VAL  51 -11.490  -0.404  -2.440
  326   HG11  VAL  51          1HG1      VAL  51 -13.875  -1.220  -0.854
  327   HG12  VAL  51          2HG1      VAL  51 -13.223   0.406  -0.639
  328   HG13  VAL  51          3HG1      VAL  51 -13.759  -0.125  -2.233
  329   HG21  VAL  51          3HG2      VAL  51 -10.881  -1.669   0.141
  330   HG22  VAL  51          1HG2      VAL  51 -10.009  -0.416  -0.742
  331   HG23  VAL  51          2HG2      VAL  51 -11.410   0.010   0.240
  332    H    THR  52           H        THR  52  -9.870  -2.015  -3.366
  333    HA   THR  52           HA       THR  52  -9.332  -1.795  -5.564
  334    HB   THR  52           HB       THR  52 -11.254  -3.976  -6.267
  335    HG1  THR  52           1HG      THR  52  -9.355  -4.044  -4.273
  336   HG21  THR  52          3HG2      THR  52  -8.717  -4.591  -7.169
  337   HG22  THR  52          1HG2      THR  52  -8.770  -2.833  -7.288
  338   HG23  THR  52          2HG2      THR  52  -9.984  -3.809  -8.114
  339    H    ASN  53           H        ASN  53 -10.837   0.179  -5.103
  340    HA   ASN  53           HA       ASN  53 -13.128   0.143  -6.936
  341    HB2  ASN  53           2HB      ASN  53 -13.428   0.852  -4.510
  342    HB3  ASN  53           1HB      ASN  53 -12.463   2.274  -4.895
  343   HD21  ASN  53          1HD2      ASN  53 -14.208   3.642  -4.410
  344   HD22  ASN  53          2HD2      ASN  53 -15.540   3.820  -5.513
  345    H    THR  54           H        THR  54 -13.470   2.124  -8.239
  346    HA   THR  54           HA       THR  54 -11.098   2.818  -9.661
  347    HB   THR  54           HB       THR  54 -13.435   4.507 -10.162
  348    HG1  THR  54           1HG      THR  54 -13.659   1.656 -10.372
  349   HG21  THR  54          3HG2      THR  54 -13.079   3.716 -12.443
  350   HG22  THR  54          1HG2      THR  54 -11.934   2.511 -11.857
  351   HG23  THR  54          2HG2      THR  54 -11.555   4.228 -11.719
  352    H    GLY  55           H        GLY  55 -12.344   3.933  -6.801
  353    HA2  GLY  55           1HA      GLY  55 -10.990   6.536  -7.126
  354    HA3  GLY  55           2HA      GLY  55 -12.344   6.273  -6.029
  355    H    ASN  56           H        ASN  56  -9.516   4.236  -6.620
  356    HA   ASN  56           HA       ASN  56  -9.079   3.845  -3.824
  357    HB2  ASN  56           2HB      ASN  56  -8.103   2.727  -6.308
  358    HB3  ASN  56           1HB      ASN  56  -6.765   3.038  -5.208
  359   HD21  ASN  56          1HD2      ASN  56  -7.445   0.495  -5.984
  360   HD22  ASN  56          2HD2      ASN  56  -8.039  -0.379  -4.612
  361    H    SER  57           H        SER  57  -8.195   5.324  -2.544
  362    HA   SER  57           HA       SER  57  -5.995   6.963  -3.594
  363    HB2  SER  57           2HB      SER  57  -7.044   8.696  -1.875
  364    HB3  SER  57           1HB      SER  57  -7.636   8.578  -3.532
  365    HG   SER  57           HG       SER  57  -9.493   7.992  -2.769
  366    H    GLY  58           H        GLY  58  -7.346   7.331  -0.414
  367    HA2  GLY  58           1HA      GLY  58  -4.865   6.215   0.720
  368    HA3  GLY  58           2HA      GLY  58  -5.842   7.468   1.473
  369    H    LEU  59           H        LEU  59  -5.327   4.113   1.093
  370    HA   LEU  59           HA       LEU  59  -7.899   3.312   2.131
  371    HB2  LEU  59           2HB      LEU  59  -5.775   2.064   0.731
  372    HB3  LEU  59           1HB      LEU  59  -5.951   1.219   2.259
  373    HG   LEU  59           HG       LEU  59  -8.477   1.722   0.831
  374   HD11  LEU  59          1HD1      LEU  59  -6.300   0.799  -0.680
  375   HD12  LEU  59          2HD1      LEU  59  -7.295  -0.613  -0.327
  376   HD13  LEU  59          3HD1      LEU  59  -8.007   0.790  -1.121
  377   HD21  LEU  59          3HD2      LEU  59  -8.991  -0.484   1.595
  378   HD22  LEU  59          1HD2      LEU  59  -7.299  -0.806   1.973
  379   HD23  LEU  59          2HD2      LEU  59  -8.203   0.375   2.918
  380    H    ILE  60           H        ILE  60  -8.376   3.417   4.202
  381    HA   ILE  60           HA       ILE  60  -6.304   3.580   6.210
  382    HB   ILE  60           HB       ILE  60  -9.207   3.278   6.885
  383   HG12  ILE  60          2HG1      ILE  60  -8.567   6.053   6.650
  384   HG13  ILE  60          1HG1      ILE  60  -8.195   5.275   5.115
  385   HG21  ILE  60          1HG2      ILE  60  -6.953   4.886   8.077
  386   HG22  ILE  60          2HG2      ILE  60  -8.599   4.804   8.707
  387   HG23  ILE  60          3HG2      ILE  60  -7.586   3.359   8.692
  388   HD11  ILE  60          3HD1      ILE  60 -10.826   4.921   6.514
  389   HD12  ILE  60          1HD1      ILE  60 -10.517   6.224   5.366
  390   HD13  ILE  60          2HD1      ILE  60 -10.419   4.543   4.842
  391    H    ILE  61           H        ILE  61  -5.293   1.655   6.399
  392    HA   ILE  61           HA       ILE  61  -6.833  -0.811   6.530
  393    HB   ILE  61           HB       ILE  61  -3.925  -0.854   7.078
  394   HG12  ILE  61          2HG1      ILE  61  -4.488   0.890   5.180
  395   HG13  ILE  61          1HG1      ILE  61  -3.163  -0.250   4.979
  396   HG21  ILE  61          1HG2      ILE  61  -5.693  -2.480   5.260
  397   HG22  ILE  61          2HG2      ILE  61  -4.019  -2.840   5.681
  398   HG23  ILE  61          3HG2      ILE  61  -5.271  -2.889   6.922
  399   HD11  ILE  61          3HD1      ILE  61  -5.053  -1.706   3.850
  400   HD12  ILE  61          1HD1      ILE  61  -5.788  -0.121   3.607
  401   HD13  ILE  61          2HD1      ILE  61  -4.183  -0.457   2.957
  402    H    ASN  62           H        ASN  62  -6.781  -2.236   8.318
  403    HA   ASN  62           HA       ASN  62  -6.268  -0.853  10.853
  404    HB2  ASN  62           2HB      ASN  62  -8.448  -2.386   9.969
  405    HB3  ASN  62           1HB      ASN  62  -7.627  -3.381  11.169
  406   HD21  ASN  62          1HD2      ASN  62 -10.222  -1.986  11.260
  407   HD22  ASN  62          2HD2      ASN  62 -10.144  -0.956  12.653
  408    H    ALA  63           H        ALA  63  -4.070  -1.743   9.513
  409    HA   ALA  63           HA       ALA  63  -2.039  -2.543  10.104
  410    HB1  ALA  63           1HB      ALA  63  -2.728  -4.112  12.438
  411    HB2  ALA  63           2HB      ALA  63  -1.632  -2.740  12.272
  412    HB3  ALA  63           3HB      ALA  63  -3.360  -2.468  12.515
  413    H    ALA  64           H        ALA  64  -4.499  -5.033  10.812
  414    HA   ALA  64           HA       ALA  64  -2.785  -7.225  10.540
  415    HB1  ALA  64           1HB      ALA  64  -4.696  -7.771  11.647
  416    HB2  ALA  64           2HB      ALA  64  -5.730  -6.856  10.550
  417    HB3  ALA  64           3HB      ALA  64  -5.079  -8.418  10.051
  418    H    ASN  65           H        ASN  65  -4.423  -5.399   8.062
  419    HA   ASN  65           HA       ASN  65  -3.986  -7.504   6.091
  420    HB2  ASN  65           2HB      ASN  65  -5.700  -5.137   6.276
  421    HB3  ASN  65           1HB      ASN  65  -4.961  -5.340   4.691
  422   HD21  ASN  65          1HD2      ASN  65  -6.982  -5.778   3.783
  423   HD22  ASN  65          2HD2      ASN  65  -7.780  -7.299   4.016
  424    H    CYS  66           H        CYS  66  -1.835  -5.720   7.407
  425    HA   CYS  66           HA       CYS  66  -0.532  -4.949   4.874
  426    HB2  CYS  66           2HB      CYS  66  -0.592  -3.449   7.490
  427    HB3  CYS  66           1HB      CYS  66   0.637  -3.153   6.264
  428    H    VAL  67           H        VAL  67   1.246  -6.114   4.529
  429    HA   VAL  67           HA       VAL  67   2.827  -6.949   6.872
  430    HB   VAL  67           HB       VAL  67   3.427  -8.898   5.066
  431   HG11  VAL  67          1HG1      VAL  67   2.190  -8.673   7.582
  432   HG12  VAL  67          2HG1      VAL  67   1.203  -9.784   6.632
  433   HG13  VAL  67          3HG1      VAL  67   2.923 -10.103   6.857
  434   HG21  VAL  67          3HG2      VAL  67   1.352  -9.785   4.159
  435   HG22  VAL  67          1HG2      VAL  67   0.458  -8.413   4.811
  436   HG23  VAL  67          2HG2      VAL  67   1.649  -8.164   3.534
  437    H    ALA  68           H        ALA  68   4.637  -5.854   6.812
  438    HA   ALA  68           HA       ALA  68   6.642  -6.283   4.944
  439    HB1  ALA  68           1HB      ALA  68   5.587  -3.474   4.676
  440    HB2  ALA  68           2HB      ALA  68   6.834  -4.272   3.717
  441    HB3  ALA  68           3HB      ALA  68   5.147  -4.758   3.550
  Start of MODEL    3
    1    H1   SER   1           1H       SER   1  15.648   4.207   4.198
    2    H2   SER   1           2H       SER   1  14.056   3.932   3.694
    3    H3   SER   1           3H       SER   1  14.414   4.045   5.348
    4    HA   SER   1           HA       SER   1  13.943   6.170   5.273
    5    HB2  SER   1           2HB      SER   1  15.764   7.201   3.350
    6    HB3  SER   1           1HB      SER   1  15.935   7.180   5.107
    7    HG   SER   1           HG       SER   1  17.663   6.067   4.287
    8    H    ALA   2           H        ALA   2  15.062   6.909   2.102
    9    HA   ALA   2           HA       ALA   2  12.316   7.420   1.286
   10    HB1  ALA   2           1HB      ALA   2  14.966   8.457   0.545
   11    HB2  ALA   2           2HB      ALA   2  13.822   8.299  -0.789
   12    HB3  ALA   2           3HB      ALA   2  13.405   9.274   0.619
   13    H    THR   3           H        THR   3  11.922   5.076   1.173
   14    HA   THR   3           HA       THR   3  13.194   3.437  -0.745
   15    HB   THR   3           HB       THR   3  10.427   2.720  -0.171
   16    HG1  THR   3           1HG      THR   3  10.433   3.419   1.838
   17   HG21  THR   3          3HG2      THR   3  11.331   0.670  -0.156
   18   HG22  THR   3          1HG2      THR   3  12.535   1.123   1.049
   19   HG23  THR   3          2HG2      THR   3  12.835   1.440  -0.659
   20    H    THR   4           H        THR   4  13.066   3.564  -2.872
   21    HA   THR   4           HA       THR   4  10.984   5.010  -4.218
   22    HB   THR   4           HB       THR   4  12.709   3.248  -5.831
   23    HG1  THR   4           1HG      THR   4  14.140   5.425  -4.913
   24   HG21  THR   4          3HG2      THR   4  12.797   6.187  -6.088
   25   HG22  THR   4          1HG2      THR   4  11.213   5.448  -6.318
   26   HG23  THR   4          2HG2      THR   4  12.574   4.948  -7.322
   27    H    ILE   5           H        ILE   5   9.130   4.186  -5.013
   28    HA   ILE   5           HA       ILE   5   8.706   1.326  -4.507
   29    HB   ILE   5           HB       ILE   5   6.731   3.604  -4.620
   30   HG12  ILE   5          2HG1      ILE   5   6.813   2.057  -2.182
   31   HG13  ILE   5          1HG1      ILE   5   8.411   2.687  -2.570
   32   HG21  ILE   5          1HG2      ILE   5   5.395   1.896  -5.337
   33   HG22  ILE   5          2HG2      ILE   5   6.347   0.656  -4.522
   34   HG23  ILE   5          3HG2      ILE   5   5.253   1.683  -3.592
   35   HD11  ILE   5          3HD1      ILE   5   6.258   4.634  -2.864
   36   HD12  ILE   5          1HD1      ILE   5   6.477   4.027  -1.224
   37   HD13  ILE   5          2HD1      ILE   5   7.828   4.779  -2.073
   38    H    GLY   6           H        GLY   6   8.272  -0.039  -6.060
   39    HA2  GLY   6           1HA      GLY   6   6.959   0.970  -8.509
   40    HA3  GLY   6           2HA      GLY   6   8.117  -0.361  -8.527
   41    HA   PRO   7           HA       PRO   7   3.636  -1.600  -7.253
   42    HB2  PRO   7           2HB      PRO   7   2.381  -2.104  -9.583
   43    HB3  PRO   7           1HB      PRO   7   2.427  -0.488  -8.868
   44    HG2  PRO   7           2HG      PRO   7   4.120  -1.637 -11.058
   45    HG3  PRO   7           1HG      PRO   7   3.332  -0.050 -10.973
   46    HD2  PRO   7           2HD      PRO   7   5.964  -0.415 -10.410
   47    HD3  PRO   7           1HD      PRO   7   4.975   0.836  -9.629
   48    H    ASN   8           H        ASN   8   6.048  -3.120  -7.463
   49    HA   ASN   8           HA       ASN   8   4.880  -5.723  -8.017
   50    HB2  ASN   8           2HB      ASN   8   7.033  -4.513  -9.663
   51    HB3  ASN   8           1HB      ASN   8   7.247  -6.200  -9.207
   52   HD21  ASN   8          1HD2      ASN   8   6.358  -4.485 -11.690
   53   HD22  ASN   8          2HD2      ASN   8   5.072  -5.446 -12.345
   54    H    THR   9           H        THR   9   5.917  -4.106  -5.726
   55    HA   THR   9           HA       THR   9   8.248  -5.486  -4.781
   56    HB   THR   9           HB       THR   9   6.651  -4.249  -2.698
   57    HG1  THR   9           1HG      THR   9   7.481  -2.355  -4.594
   58   HG21  THR   9          3HG2      THR   9   9.349  -4.514  -3.473
   59   HG22  THR   9          1HG2      THR   9   8.714  -3.782  -2.000
   60   HG23  THR   9          2HG2      THR   9   9.003  -2.784  -3.427
   61    H    CYS  10           H        CYS  10   4.839  -5.984  -4.694
   62    HA   CYS  10           HA       CYS  10   5.230  -8.554  -3.386
   63    HB2  CYS  10           2HB      CYS  10   3.769  -6.279  -2.206
   64    HB3  CYS  10           1HB      CYS  10   2.868  -7.789  -2.226
   65    H    SER  11           H        SER  11   3.558 -10.089  -3.964
   66    HA   SER  11           HA       SER  11   1.591  -9.386  -5.912
   67    HB2  SER  11           2HB      SER  11   4.119 -10.758  -6.865
   68    HB3  SER  11           1HB      SER  11   2.648 -10.588  -7.818
   69    HG   SER  11           HG       SER  11   3.242  -8.182  -6.949
   70    H    ILE  12           H        ILE  12   2.045 -11.028  -3.429
   71    HA   ILE  12           HA       ILE  12   1.606 -13.750  -4.260
   72    HB   ILE  12           HB       ILE  12   0.824 -12.820  -1.532
   73   HG12  ILE  12          2HG1      ILE  12   3.684 -13.436  -1.796
   74   HG13  ILE  12          1HG1      ILE  12   3.207 -11.926  -2.563
   75   HG21  ILE  12          1HG2      ILE  12   1.851 -14.956  -0.884
   76   HG22  ILE  12          2HG2      ILE  12   0.601 -15.164  -2.111
   77   HG23  ILE  12          3HG2      ILE  12   2.304 -15.235  -2.565
   78   HD11  ILE  12          3HD1      ILE  12   2.171 -12.350   0.154
   79   HD12  ILE  12          1HD1      ILE  12   3.917 -12.141   0.013
   80   HD13  ILE  12          2HD1      ILE  12   2.826 -10.899  -0.603
   81    H    ASP  13           H        ASP  13  -0.396 -11.616  -2.271
   82    HA   ASP  13           HA       ASP  13  -2.768 -12.450  -3.771
   83    HB2  ASP  13           2HB      ASP  13  -2.533 -12.276  -1.146
   84    HB3  ASP  13           1HB      ASP  13  -2.827 -10.568  -1.443
   85    H    ASP  14           H        ASP  14  -4.180  -9.957  -3.177
   86    HA   ASP  14           HA       ASP  14  -2.945  -8.164  -5.093
   87    HB2  ASP  14           2HB      ASP  14  -5.475  -8.498  -4.817
   88    HB3  ASP  14           1HB      ASP  14  -5.328  -7.519  -3.359
   89    H    TYR  15           H        TYR  15  -1.217  -8.623  -3.174
   90    HA   TYR  15           HA       TYR  15  -1.335  -6.669  -1.053
   91    HB2  TYR  15           2HB      TYR  15   0.525  -8.858  -1.875
   92    HB3  TYR  15           1HB      TYR  15   1.160  -7.568  -0.863
   93    HD1  TYR  15           1HD      TYR  15  -0.922  -6.988   1.018
   94    HD2  TYR  15           2HD      TYR  15   0.220 -10.748  -0.606
   95    HE1  TYR  15           1HE      TYR  15  -1.800  -8.111   3.018
   96    HE2  TYR  15           2HE      TYR  15  -0.662 -11.882   1.389
   97    HH   TYR  15           HH       TYR  15  -1.043 -11.129   3.900
   98    H    LYS  16           H        LYS  16  -1.523  -4.819  -2.479
   99    HA   LYS  16           HA       LYS  16   0.700  -4.179  -4.192
  100    HB2  LYS  16           2HB      LYS  16  -1.473  -2.285  -3.305
  101    HB3  LYS  16           1HB      LYS  16  -0.503  -2.213  -4.770
  102    HG2  LYS  16           2HG      LYS  16  -1.601  -4.397  -5.442
  103    HG3  LYS  16           1HG      LYS  16  -2.727  -4.120  -4.110
  104    HD2  LYS  16           2HD      LYS  16  -2.296  -1.880  -6.001
  105    HD3  LYS  16           1HD      LYS  16  -3.194  -3.277  -6.599
  106    HE2  LYS  16           2HE      LYS  16  -4.004  -2.360  -3.936
  107    HE3  LYS  16           1HE      LYS  16  -4.281  -1.188  -5.223
  108    HZ1  LYS  16           3HZ      LYS  16  -5.290  -3.985  -5.130
  109    HZ2  LYS  16           1HZ      LYS  16  -5.482  -2.929  -6.446
  110    HZ3  LYS  16           2HZ      LYS  16  -6.203  -2.560  -4.956
  111    HA   PRO  17           HA       PRO  17   3.259  -2.075  -1.239
  112    HB2  PRO  17           2HB      PRO  17   4.188  -0.025  -2.816
  113    HB3  PRO  17           1HB      PRO  17   4.828  -1.671  -2.862
  114    HG2  PRO  17           2HG      PRO  17   2.831  -0.367  -4.672
  115    HG3  PRO  17           1HG      PRO  17   4.187  -1.434  -5.084
  116    HD2  PRO  17           2HD      PRO  17   1.666  -2.352  -4.991
  117    HD3  PRO  17           1HD      PRO  17   3.034  -3.350  -4.456
  118    H    TYR  18           H        TYR  18   2.619  -0.746   0.340
  119    HA   TYR  18           HA       TYR  18   0.921   1.546  -0.383
  120    HB2  TYR  18           2HB      TYR  18   0.404  -0.686   1.501
  121    HB3  TYR  18           1HB      TYR  18  -0.091   0.922   2.021
  122    HD1  TYR  18           2HD      TYR  18  -1.610   2.255   0.461
  123    HD2  TYR  18           1HD      TYR  18  -0.920  -1.915   0.002
  124    HE1  TYR  18           2HE      TYR  18  -3.644   2.074  -0.909
  125    HE2  TYR  18           1HE      TYR  18  -2.946  -2.106  -1.371
  126    HH   TYR  18           HH       TYR  18  -5.326  -0.144  -1.433
  127    H    CYS  19           H        CYS  19   1.551   3.410   0.412
  128    HA   CYS  19           HA       CYS  19   3.715   3.568   2.331
  129    HB2  CYS  19           2HB      CYS  19   2.097   5.861   1.205
  130    HB3  CYS  19           1HB      CYS  19   3.725   5.917   1.871
  131    H    CYS  20           H        CYS  20   2.709   2.654   4.166
  132    HA   CYS  20           HA       CYS  20   0.196   3.585   5.129
  133    HB2  CYS  20           2HB      CYS  20   2.319   1.755   6.186
  134    HB3  CYS  20           1HB      CYS  20   1.010   2.283   7.239
  135    H    GLN  21           H        GLN  21   0.232   5.747   5.507
  136    HA   GLN  21           HA       GLN  21   2.190   6.888   7.302
  137    HB2  GLN  21           2HB      GLN  21  -0.176   7.935   5.789
  138    HB3  GLN  21           1HB      GLN  21   0.506   8.882   7.104
  139    HG2  GLN  21           2HG      GLN  21   2.749   8.553   5.879
  140    HG3  GLN  21           1HG      GLN  21   1.746   8.107   4.500
  141   HE21  GLN  21          1HE2      GLN  21  -0.193   9.730   4.286
  142   HE22  GLN  21          2HE2      GLN  21   0.271  11.397   4.276
  143    H    SER  22           H        SER  22   1.942   5.863   9.247
  144    HA   SER  22           HA       SER  22  -0.471   5.244  10.511
  145    HB2  SER  22           2HB      SER  22   1.371   5.716  12.548
  146    HB3  SER  22           1HB      SER  22   1.086   4.178  11.730
  147    HG   SER  22           HG       SER  22   3.025   6.171  11.120
  148    H    MET  23           H        MET  23  -1.833   6.360  11.804
  149    HA   MET  23           HA       MET  23  -1.593   9.227  11.851
  150    HB2  MET  23           2HB      MET  23  -3.675   7.234  12.432
  151    HB3  MET  23           1HB      MET  23  -3.718   8.646  13.477
  152    HG2  MET  23           2HG      MET  23  -5.127   9.204  11.724
  153    HG3  MET  23           1HG      MET  23  -3.616  10.018  11.327
  154    HE1  MET  23           3HE      MET  23  -3.491  10.384   9.016
  155    HE2  MET  23           1HE      MET  23  -2.074   9.348   9.177
  156    HE3  MET  23           2HE      MET  23  -3.177   9.130   7.817
  157    H    SER  24           H        SER  24  -1.154  10.515  13.587
  158    HA   SER  24           HA       SER  24   0.337   9.325  15.728
  159    HB2  SER  24           2HB      SER  24  -0.223  12.105  16.169
  160    HB3  SER  24           1HB      SER  24   1.304  11.343  15.721
  161    HG   SER  24           HG       SER  24   1.044  12.262  13.862
  162    H    GLY  25           H        GLY  25  -1.888   8.142  16.140
  163    HA2  GLY  25           1HA      GLY  25  -2.734   8.806  18.708
  164    HA3  GLY  25           2HA      GLY  25  -3.910   9.486  17.590
  165    H    SER  26           H        SER  26  -4.369   7.781  15.714
  166    HA   SER  26           HA       SER  26  -5.450   5.455  17.050
  167    HB2  SER  26           2HB      SER  26  -5.779   5.561  14.155
  168    HB3  SER  26           1HB      SER  26  -7.008   5.547  15.421
  169    HG   SER  26           HG       SER  26  -7.076   7.688  15.412
  170    H    ALA  27           H        ALA  27  -5.159   3.281  16.127
  171    HA   ALA  27           HA       ALA  27  -2.360   2.782  15.614
  172    HB1  ALA  27           1HB      ALA  27  -3.264   1.219  17.072
  173    HB2  ALA  27           2HB      ALA  27  -4.746   1.049  16.130
  174    HB3  ALA  27           3HB      ALA  27  -3.239   0.352  15.536
  175    H    SER  28           H        SER  28  -5.201   3.186  13.779
  176    HA   SER  28           HA       SER  28  -4.535   1.600  11.520
  177    HB2  SER  28           2HB      SER  28  -6.218   3.957  11.031
  178    HB3  SER  28           1HB      SER  28  -6.575   2.245  10.787
  179    HG   SER  28           HG       SER  28  -6.847   2.129  13.126
  180    H    LEU  29           H        LEU  29  -3.904   2.369   9.422
  181    HA   LEU  29           HA       LEU  29  -2.225   4.782   9.570
  182    HB2  LEU  29           2HB      LEU  29  -1.363   2.701   7.688
  183    HB3  LEU  29           1HB      LEU  29  -0.415   3.700   8.771
  184    HG   LEU  29           HG       LEU  29  -1.757   1.936  10.461
  185   HD11  LEU  29          1HD1      LEU  29  -0.433   0.147   8.528
  186   HD12  LEU  29          2HD1      LEU  29  -1.826  -0.136   9.574
  187   HD13  LEU  29          3HD1      LEU  29  -2.023   0.755   8.066
  188   HD21  LEU  29          3HD2      LEU  29   0.420   2.591  10.974
  189   HD22  LEU  29          1HD2      LEU  29   0.580   0.883  10.562
  190   HD23  LEU  29          2HD2      LEU  29   1.036   2.119   9.389
  191    H    GLY  30           H        GLY  30  -2.324   6.178   7.897
  192    HA2  GLY  30           1HA      GLY  30  -4.301   5.728   5.827
  193    HA3  GLY  30           2HA      GLY  30  -3.329   7.179   6.055
  194    H    CYS  31           H        CYS  31  -3.187   3.839   4.948
  195    HA   CYS  31           HA       CYS  31  -0.639   4.198   3.681
  196    HB2  CYS  31           2HB      CYS  31  -2.496   1.886   3.183
  197    HB3  CYS  31           1HB      CYS  31  -0.736   1.911   3.157
  198    H    VAL  32           H        VAL  32  -0.751   5.677   2.064
  199    HA   VAL  32           HA       VAL  32  -2.715   5.446  -0.044
  200    HB   VAL  32           HB       VAL  32  -0.225   6.958  -0.575
  201   HG11  VAL  32          1HG1      VAL  32  -1.935   8.673  -1.268
  202   HG12  VAL  32          2HG1      VAL  32  -1.984   7.145  -2.150
  203   HG13  VAL  32          3HG1      VAL  32  -3.172   7.473  -0.887
  204   HG21  VAL  32          3HG2      VAL  32  -1.949   8.592   1.054
  205   HG22  VAL  32          1HG2      VAL  32  -1.348   7.207   1.966
  206   HG23  VAL  32          2HG2      VAL  32  -0.213   8.311   1.191
  207    H    VAL  33           H        VAL  33  -2.316   4.642  -2.131
  208    HA   VAL  33           HA       VAL  33  -0.674   2.391  -2.305
  209    HB   VAL  33           HB       VAL  33  -2.557   2.576  -3.778
  210   HG11  VAL  33          1HG1      VAL  33  -1.187   4.914  -5.097
  211   HG12  VAL  33          2HG1      VAL  33  -2.739   4.210  -5.550
  212   HG13  VAL  33          3HG1      VAL  33  -2.561   5.025  -3.997
  213   HG21  VAL  33          3HG2      VAL  33  -0.109   1.691  -4.568
  214   HG22  VAL  33          1HG2      VAL  33  -1.600   1.467  -5.482
  215   HG23  VAL  33          2HG2      VAL  33  -0.515   2.801  -5.877
  216    H    GLY  34           H        GLY  34   1.369   2.035  -2.938
  217    HA2  GLY  34           1HA      GLY  34   3.295   4.045  -2.865
  218    HA3  GLY  34           2HA      GLY  34   3.538   2.440  -3.542
  219    H    VAL  35           H        VAL  35   3.734   5.609  -4.225
  220    HA   VAL  35           HA       VAL  35   2.607   5.604  -6.863
  221    HB   VAL  35           HB       VAL  35   4.343   7.796  -6.674
  222   HG11  VAL  35          1HG1      VAL  35   1.867   8.752  -5.960
  223   HG12  VAL  35          2HG1      VAL  35   2.428   8.468  -7.607
  224   HG13  VAL  35          3HG1      VAL  35   1.487   7.233  -6.770
  225   HG21  VAL  35          3HG2      VAL  35   4.748   7.649  -4.376
  226   HG22  VAL  35          1HG2      VAL  35   3.416   8.798  -4.492
  227   HG23  VAL  35          2HG2      VAL  35   3.102   7.126  -4.024
  228    H    ILE  36           H        ILE  36   3.533   4.803  -8.573
  229    HA   ILE  36           HA       ILE  36   5.974   3.496  -8.604
  230    HB   ILE  36           HB       ILE  36   4.696   4.633 -11.083
  231   HG12  ILE  36          2HG1      ILE  36   3.784   1.997 -10.656
  232   HG13  ILE  36          1HG1      ILE  36   3.530   2.856  -9.140
  233   HG21  ILE  36          1HG2      ILE  36   5.499   2.350 -11.936
  234   HG22  ILE  36          2HG2      ILE  36   6.708   3.599 -11.641
  235   HG23  ILE  36          3HG2      ILE  36   6.476   2.304 -10.469
  236   HD11  ILE  36          3HD1      ILE  36   2.224   4.533 -10.267
  237   HD12  ILE  36          1HD1      ILE  36   2.557   3.784 -11.828
  238   HD13  ILE  36          2HD1      ILE  36   1.584   2.930 -10.632
  239    H    GLY  37           H        GLY  37   7.994   4.177  -8.683
  240    HA2  GLY  37           1HA      GLY  37   9.837   5.370  -9.442
  241    HA3  GLY  37           2HA      GLY  37   8.756   6.384 -10.385
  242    H    SER  38           H        SER  38   7.834   6.057  -7.144
  243    HA   SER  38           HA       SER  38   9.123   8.618  -6.463
  244    HB2  SER  38           2HB      SER  38   6.451   7.943  -5.319
  245    HB3  SER  38           1HB      SER  38   7.142   9.518  -5.704
  246    HG   SER  38           HG       SER  38   6.371   7.618  -7.667
  247    H    GLN  39           H        GLN  39   9.110   8.990  -4.034
  248    HA   GLN  39           HA       GLN  39   9.709   6.434  -2.690
  249    HB2  GLN  39           2HB      GLN  39  10.835   9.118  -1.906
  250    HB3  GLN  39           1HB      GLN  39  11.396   7.523  -1.423
  251    HG2  GLN  39           2HG      GLN  39  12.624   7.244  -3.274
  252    HG3  GLN  39           1HG      GLN  39  11.437   8.032  -4.312
  253   HE21  GLN  39          1HE2      GLN  39  11.289  10.420  -4.062
  254   HE22  GLN  39          2HE2      GLN  39  12.772  11.285  -3.842
  255    H    CYS  40           H        CYS  40   8.989   6.092  -0.614
  256    HA   CYS  40           HA       CYS  40   7.216   8.144   0.528
  257    HB2  CYS  40           2HB      CYS  40   6.759   5.198   0.190
  258    HB3  CYS  40           1HB      CYS  40   6.013   6.048   1.540
  259    H    GLY  41           H        GLY  41   7.934   8.835   2.420
  260    HA2  GLY  41           1HA      GLY  41   9.914   7.255   3.876
  261    HA3  GLY  41           2HA      GLY  41   9.474   8.928   4.198
  262    H    ALA  42           H        ALA  42   7.910   5.729   4.194
  263    HA   ALA  42           HA       ALA  42   7.108   6.041   6.952
  264    HB1  ALA  42           1HB      ALA  42   5.347   6.950   4.988
  265    HB2  ALA  42           2HB      ALA  42   4.740   5.357   5.436
  266    HB3  ALA  42           3HB      ALA  42   4.964   6.594   6.673
  267    H    SER  43           H        SER  43   5.247   4.003   7.100
  268    HA   SER  43           HA       SER  43   6.845   1.685   6.667
  269    HB2  SER  43           2HB      SER  43   4.318   2.331   7.976
  270    HB3  SER  43           1HB      SER  43   4.265   0.775   7.143
  271    HG   SER  43           HG       SER  43   5.576   1.485   9.429
  272    H    VAL  44           H        VAL  44   7.280   1.301   4.554
  273    HA   VAL  44           HA       VAL  44   5.125   1.229   2.599
  274    HB   VAL  44           HB       VAL  44   8.009   0.426   2.175
  275   HG11  VAL  44          1HG1      VAL  44   7.260   1.355  -0.185
  276   HG12  VAL  44          2HG1      VAL  44   6.944  -0.312   0.299
  277   HG13  VAL  44          3HG1      VAL  44   5.665   0.896   0.412
  278   HG21  VAL  44          3HG2      VAL  44   7.377   2.885   3.021
  279   HG22  VAL  44          1HG2      VAL  44   8.666   2.576   1.858
  280   HG23  VAL  44          2HG2      VAL  44   7.077   3.094   1.297
  281    H    LYS  45           H        LYS  45   3.833  -0.463   3.215
  282    HA   LYS  45           HA       LYS  45   5.100  -3.126   3.312
  283    HB2  LYS  45           2HB      LYS  45   2.456  -2.650   4.608
  284    HB3  LYS  45           1HB      LYS  45   3.729  -3.778   5.049
  285    HG2  LYS  45           2HG      LYS  45   4.571  -1.026   5.371
  286    HG3  LYS  45           1HG      LYS  45   3.117  -1.391   6.301
  287    HD2  LYS  45           2HD      LYS  45   4.422  -2.320   7.843
  288    HD3  LYS  45           1HD      LYS  45   4.812  -3.585   6.676
  289    HE2  LYS  45           2HE      LYS  45   6.905  -2.864   6.529
  290    HE3  LYS  45           1HE      LYS  45   6.356  -1.245   6.102
  291    HZ1  LYS  45           3HZ      LYS  45   7.772  -1.463   8.165
  292    HZ2  LYS  45           1HZ      LYS  45   6.430  -2.187   8.909
  293    HZ3  LYS  45           2HZ      LYS  45   6.327  -0.592   8.339
  294    H    CYS  46           H        CYS  46   3.719  -4.901   2.572
  295    HA   CYS  46           HA       CYS  46   2.011  -4.125   0.357
  296    HB2  CYS  46           2HB      CYS  46   2.189  -6.972   1.156
  297    HB3  CYS  46           1HB      CYS  46   2.286  -6.245  -0.442
  298    H    CYS  47           H        CYS  47  -0.053  -3.629   0.768
  299    HA   CYS  47           HA       CYS  47  -1.365  -4.982   3.035
  300    HB2  CYS  47           2HB      CYS  47  -1.926  -2.221   1.931
  301    HB3  CYS  47           1HB      CYS  47  -2.750  -2.975   3.293
  302    H    LYS  48           H        LYS  48  -3.501  -5.618   2.836
  303    HA   LYS  48           HA       LYS  48  -4.326  -6.464   0.235
  304    HB2  LYS  48           2HB      LYS  48  -5.704  -6.514   2.923
  305    HB3  LYS  48           1HB      LYS  48  -6.358  -7.252   1.468
  306    HG2  LYS  48           2HG      LYS  48  -3.905  -8.378   1.533
  307    HG3  LYS  48           1HG      LYS  48  -4.222  -8.166   3.257
  308    HD2  LYS  48           2HD      LYS  48  -5.013 -10.337   2.531
  309    HD3  LYS  48           1HD      LYS  48  -6.381  -9.313   2.976
  310    HE2  LYS  48           2HE      LYS  48  -5.779  -8.940   0.204
  311    HE3  LYS  48           1HE      LYS  48  -5.927 -10.661   0.538
  312    HZ1  LYS  48           3HZ      LYS  48  -8.042  -9.605  -0.079
  313    HZ2  LYS  48           1HZ      LYS  48  -7.949  -8.620   1.301
  314    HZ3  LYS  48           2HZ      LYS  48  -8.095 -10.300   1.468
  315    H    ASP  49           H        ASP  49  -5.324  -5.204  -1.206
  316    HA   ASP  49           HA       ASP  49  -6.870  -2.914  -0.278
  317    HB2  ASP  49           2HB      ASP  49  -5.293  -2.610  -2.160
  318    HB3  ASP  49           1HB      ASP  49  -6.222  -3.766  -3.107
  319    H    ASP  50           H        ASP  50  -8.321  -4.614   0.702
  320    HA   ASP  50           HA       ASP  50 -10.363  -5.452  -1.236
  321    HB2  ASP  50           2HB      ASP  50 -11.318  -6.582   0.943
  322    HB3  ASP  50           1HB      ASP  50  -9.989  -7.329   0.065
  323    H    VAL  51           H        VAL  51  -9.576  -2.910   0.622
  324    HA   VAL  51           HA       VAL  51 -12.229  -2.268   1.610
  325    HB   VAL  51           HB       VAL  51 -10.380  -0.039   1.659
  326   HG11  VAL  51          1HG1      VAL  51 -11.933   0.207   3.266
  327   HG12  VAL  51          2HG1      VAL  51 -12.152  -1.532   3.472
  328   HG13  VAL  51          3HG1      VAL  51 -10.786  -0.717   4.238
  329   HG21  VAL  51          3HG2      VAL  51  -9.142  -1.634   3.583
  330   HG22  VAL  51          1HG2      VAL  51  -9.209  -2.639   2.136
  331   HG23  VAL  51          2HG2      VAL  51  -8.438  -1.054   2.073
  332    H    THR  52           H        THR  52 -10.260  -1.681  -1.151
  333    HA   THR  52           HA       THR  52 -12.365   0.043  -2.249
  334    HB   THR  52           HB       THR  52  -9.970   0.874  -3.468
  335    HG1  THR  52           1HG      THR  52  -8.816   0.026  -1.673
  336   HG21  THR  52          3HG2      THR  52 -11.565   2.510  -3.269
  337   HG22  THR  52          1HG2      THR  52 -10.507   2.956  -1.930
  338   HG23  THR  52          2HG2      THR  52 -11.988   2.050  -1.621
  339    H    ASN  53           H        ASN  53  -9.409  -1.770  -3.058
  340    HA   ASN  53           HA       ASN  53  -8.816  -3.064  -4.818
  341    HB2  ASN  53           2HB      ASN  53 -11.208  -4.052  -4.198
  342    HB3  ASN  53           1HB      ASN  53 -11.627  -3.391  -5.775
  343   HD21  ASN  53          1HD2      ASN  53 -11.425  -6.168  -4.806
  344   HD22  ASN  53          2HD2      ASN  53 -10.340  -6.957  -5.898
  345    H    THR  54           H        THR  54  -8.657  -0.411  -5.147
  346    HA   THR  54           HA       THR  54  -8.806  -0.031  -7.979
  347    HB   THR  54           HB       THR  54 -10.139   2.277  -7.244
  348    HG1  THR  54           1HG      THR  54 -11.832   0.302  -6.234
  349   HG21  THR  54          3HG2      THR  54 -11.435   1.684  -8.967
  350   HG22  THR  54          1HG2      THR  54 -11.959   0.206  -8.164
  351   HG23  THR  54          2HG2      THR  54 -10.447   0.227  -9.070
  352    H    GLY  55           H        GLY  55  -8.769   1.770  -4.922
  353    HA2  GLY  55           1HA      GLY  55  -6.412   2.582  -4.341
  354    HA3  GLY  55           2HA      GLY  55  -6.497   3.359  -5.919
  355    H    ASN  56           H        ASN  56  -6.179   4.650  -3.341
  356    HA   ASN  56           HA       ASN  56  -8.326   6.558  -3.584
  357    HB2  ASN  56           2HB      ASN  56  -9.021   4.648  -1.954
  358    HB3  ASN  56           1HB      ASN  56  -7.890   5.417  -0.842
  359   HD21  ASN  56          1HD2      ASN  56 -10.821   5.876  -2.710
  360   HD22  ASN  56          2HD2      ASN  56 -11.433   7.192  -1.768
  361    H    SER  57           H        SER  57  -7.900   8.535  -2.471
  362    HA   SER  57           HA       SER  57  -5.075   9.065  -2.170
  363    HB2  SER  57           2HB      SER  57  -6.968  11.229  -1.540
  364    HB3  SER  57           1HB      SER  57  -5.620  11.204  -2.679
  365    HG   SER  57           HG       SER  57  -8.310  10.634  -3.078
  366    H    GLY  58           H        GLY  58  -7.708   8.297  -0.156
  367    HA2  GLY  58           1HA      GLY  58  -6.049   8.850   2.210
  368    HA3  GLY  58           2HA      GLY  58  -7.729   9.377   2.184
  369    H    LEU  59           H        LEU  59  -5.752   6.477   1.663
  370    HA   LEU  59           HA       LEU  59  -8.018   4.783   2.311
  371    HB2  LEU  59           2HB      LEU  59  -5.656   4.523   0.752
  372    HB3  LEU  59           1HB      LEU  59  -5.602   3.303   2.009
  373    HG   LEU  59           HG       LEU  59  -8.047   3.627   0.300
  374   HD11  LEU  59          1HD1      LEU  59  -7.210   2.195  -1.348
  375   HD12  LEU  59          2HD1      LEU  59  -5.904   3.346  -1.067
  376   HD13  LEU  59          3HD1      LEU  59  -5.820   1.730  -0.365
  377   HD21  LEU  59          3HD2      LEU  59  -8.354   2.249   2.220
  378   HD22  LEU  59          1HD2      LEU  59  -8.218   1.181   0.824
  379   HD23  LEU  59          2HD2      LEU  59  -6.847   1.387   1.915
  380    H    ILE  60           H        ILE  60  -8.373   5.004   4.486
  381    HA   ILE  60           HA       ILE  60  -6.255   4.635   6.404
  382    HB   ILE  60           HB       ILE  60  -9.210   4.459   6.977
  383   HG12  ILE  60          2HG1      ILE  60  -8.060   7.062   7.530
  384   HG13  ILE  60          1HG1      ILE  60  -7.928   6.671   5.818
  385   HG21  ILE  60          1HG2      ILE  60  -8.650   4.530   9.141
  386   HG22  ILE  60          2HG2      ILE  60  -7.044   4.061   8.584
  387   HG23  ILE  60          3HG2      ILE  60  -7.413   5.760   8.882
  388   HD11  ILE  60          3HD1      ILE  60 -10.451   6.697   7.459
  389   HD12  ILE  60          1HD1      ILE  60  -9.969   7.876   6.237
  390   HD13  ILE  60          2HD1      ILE  60 -10.345   6.220   5.765
  391    H    ILE  61           H        ILE  61  -5.348   2.673   6.391
  392    HA   ILE  61           HA       ILE  61  -7.068   0.326   6.064
  393    HB   ILE  61           HB       ILE  61  -4.110   0.752   5.679
  394   HG12  ILE  61          2HG1      ILE  61  -6.198  -0.440   3.843
  395   HG13  ILE  61          1HG1      ILE  61  -5.782   1.273   3.860
  396   HG21  ILE  61          1HG2      ILE  61  -5.433  -1.690   6.506
  397   HG22  ILE  61          2HG2      ILE  61  -4.612  -1.872   4.956
  398   HG23  ILE  61          3HG2      ILE  61  -3.712  -1.326   6.370
  399   HD11  ILE  61          3HD1      ILE  61  -4.617  -0.706   2.326
  400   HD12  ILE  61          1HD1      ILE  61  -4.003   0.926   2.585
  401   HD13  ILE  61          2HD1      ILE  61  -3.439  -0.401   3.602
  402    H    ASN  62           H        ASN  62  -7.348  -1.134   7.611
  403    HA   ASN  62           HA       ASN  62  -6.752  -0.572  10.307
  404    HB2  ASN  62           2HB      ASN  62  -8.553  -2.146   9.125
  405    HB3  ASN  62           1HB      ASN  62  -7.329  -3.370   9.448
  406   HD21  ASN  62          1HD2      ASN  62 -10.049  -2.914  10.558
  407   HD22  ASN  62          2HD2      ASN  62  -9.824  -2.882  12.282
  408    H    ALA  63           H        ALA  63  -5.257  -1.533  11.727
  409    HA   ALA  63           HA       ALA  63  -2.742  -2.163  10.491
  410    HB1  ALA  63           1HB      ALA  63  -2.467  -0.832  12.347
  411    HB2  ALA  63           2HB      ALA  63  -3.672  -1.709  13.289
  412    HB3  ALA  63           3HB      ALA  63  -2.087  -2.427  12.997
  413    H    ALA  64           H        ALA  64  -4.523  -4.113   9.785
  414    HA   ALA  64           HA       ALA  64  -3.154  -6.461  10.783
  415    HB1  ALA  64           1HB      ALA  64  -5.672  -7.462  10.913
  416    HB2  ALA  64           2HB      ALA  64  -4.754  -6.896  12.308
  417    HB3  ALA  64           3HB      ALA  64  -5.928  -5.831  11.535
  418    H    ASN  65           H        ASN  65  -3.699  -4.815   8.283
  419    HA   ASN  65           HA       ASN  65  -4.640  -7.022   6.572
  420    HB2  ASN  65           2HB      ASN  65  -5.847  -4.542   6.874
  421    HB3  ASN  65           1HB      ASN  65  -4.903  -4.363   5.400
  422   HD21  ASN  65          1HD2      ASN  65  -6.879  -4.177   4.270
  423   HD22  ASN  65          2HD2      ASN  65  -7.802  -5.580   3.868
  424    H    CYS  66           H        CYS  66  -1.911  -5.841   7.497
  425    HA   CYS  66           HA       CYS  66  -0.743  -5.696   4.793
  426    HB2  CYS  66           2HB      CYS  66   0.185  -4.102   7.193
  427    HB3  CYS  66           1HB      CYS  66   0.861  -4.039   5.570
  428    H    VAL  67           H        VAL  67   1.212  -6.757   4.491
  429    HA   VAL  67           HA       VAL  67   2.058  -8.447   6.748
  430    HB   VAL  67           HB       VAL  67   3.305  -9.738   4.903
  431   HG11  VAL  67          1HG1      VAL  67   1.153 -10.932   4.257
  432   HG12  VAL  67          2HG1      VAL  67   1.508 -10.797   5.979
  433   HG13  VAL  67          3HG1      VAL  67   0.320  -9.724   5.235
  434   HG21  VAL  67          3HG2      VAL  67   2.257  -7.675   3.323
  435   HG22  VAL  67          1HG2      VAL  67   3.106  -9.123   2.779
  436   HG23  VAL  67          2HG2      VAL  67   1.346  -9.123   2.895
  437    H    ALA  68           H        ALA  68   4.275  -8.746   7.154
  438    HA   ALA  68           HA       ALA  68   6.195  -6.993   5.870
  439    HB1  ALA  68           1HB      ALA  68   6.523  -5.558   7.560
  440    HB2  ALA  68           2HB      ALA  68   4.954  -6.093   8.159
  441    HB3  ALA  68           3HB      ALA  68   6.433  -6.829   8.776
  Start of MODEL    4
    1    H1   SER   1           1H       SER   1  14.970   6.312   5.817
    2    H2   SER   1           2H       SER   1  15.310   5.208   4.572
    3    H3   SER   1           3H       SER   1  13.707   5.532   4.999
    4    HA   SER   1           HA       SER   1  14.502   7.983   4.436
    5    HB2  SER   1           2HB      SER   1  15.704   7.229   2.063
    6    HB3  SER   1           1HB      SER   1  16.548   7.878   3.470
    7    HG   SER   1           HG       SER   1  17.504   6.020   3.628
    8    H    ALA   2           H        ALA   2  14.056   8.384   1.805
    9    HA   ALA   2           HA       ALA   2  11.380   7.387   1.472
   10    HB1  ALA   2           1HB      ALA   2  12.757   9.657   0.658
   11    HB2  ALA   2           2HB      ALA   2  12.436   8.773  -0.834
   12    HB3  ALA   2           3HB      ALA   2  11.103   9.213   0.234
   13    H    THR   3           H        THR   3  11.233   5.313   0.914
   14    HA   THR   3           HA       THR   3  13.051   3.965  -0.827
   15    HB   THR   3           HB       THR   3  10.477   2.667  -0.544
   16    HG1  THR   3           1HG      THR   3  11.663   3.139   1.963
   17   HG21  THR   3          3HG2      THR   3  12.238   1.210  -0.830
   18   HG22  THR   3          1HG2      THR   3  12.053   1.157   0.922
   19   HG23  THR   3          2HG2      THR   3  13.321   2.146   0.199
   20    H    THR   4           H        THR   4  12.874   3.551  -3.002
   21    HA   THR   4           HA       THR   4  10.932   5.010  -4.526
   22    HB   THR   4           HB       THR   4  12.430   2.917  -5.949
   23    HG1  THR   4           1HG      THR   4  14.279   3.293  -5.006
   24   HG21  THR   4          3HG2      THR   4  11.258   5.347  -6.545
   25   HG22  THR   4          1HG2      THR   4  12.335   4.431  -7.600
   26   HG23  THR   4          2HG2      THR   4  12.983   5.710  -6.573
   27    H    ILE   5           H        ILE   5   9.104   4.271  -5.492
   28    HA   ILE   5           HA       ILE   5   8.286   1.574  -4.662
   29    HB   ILE   5           HB       ILE   5   6.480   3.870  -5.409
   30   HG12  ILE   5          2HG1      ILE   5   7.914   4.246  -3.349
   31   HG13  ILE   5          1HG1      ILE   5   6.176   4.312  -3.086
   32   HG21  ILE   5          1HG2      ILE   5   4.855   2.359  -5.366
   33   HG22  ILE   5          2HG2      ILE   5   6.031   1.090  -5.030
   34   HG23  ILE   5          3HG2      ILE   5   5.266   1.959  -3.699
   35   HD11  ILE   5          3HD1      ILE   5   7.514   1.707  -2.681
   36   HD12  ILE   5          1HD1      ILE   5   7.810   2.973  -1.491
   37   HD13  ILE   5          2HD1      ILE   5   6.160   2.438  -1.819
   38    H    GLY   6           H        GLY   6   7.636   0.106  -6.037
   39    HA2  GLY   6           1HA      GLY   6   6.510   0.810  -8.612
   40    HA3  GLY   6           2HA      GLY   6   8.001  -0.129  -8.676
   41    HA   PRO   7           HA       PRO   7   4.091  -2.805  -7.660
   42    HB2  PRO   7           2HB      PRO   7   3.524  -3.682 -10.191
   43    HB3  PRO   7           1HB      PRO   7   2.699  -2.335  -9.400
   44    HG2  PRO   7           2HG      PRO   7   4.950  -2.281 -11.373
   45    HG3  PRO   7           1HG      PRO   7   3.499  -1.263 -11.300
   46    HD2  PRO   7           2HD      PRO   7   5.870  -0.372 -10.422
   47    HD3  PRO   7           1HD      PRO   7   4.350   0.059  -9.598
   48    H    ASN   8           H        ASN   8   6.613  -3.419  -7.180
   49    HA   ASN   8           HA       ASN   8   6.829  -6.147  -8.224
   50    HB2  ASN   8           2HB      ASN   8   8.453  -4.567  -9.400
   51    HB3  ASN   8           1HB      ASN   8   9.264  -4.400  -7.844
   52   HD21  ASN   8          1HD2      ASN   8  10.666  -5.943  -7.214
   53   HD22  ASN   8          2HD2      ASN   8  10.971  -7.408  -8.082
   54    H    THR   9           H        THR   9   7.316  -3.793  -5.717
   55    HA   THR   9           HA       THR   9   8.743  -5.175  -3.805
   56    HB   THR   9           HB       THR   9   6.484  -3.755  -2.643
   57    HG1  THR   9           1HG      THR   9   8.011  -1.957  -4.092
   58   HG21  THR   9          3HG2      THR   9   8.227  -2.439  -1.614
   59   HG22  THR   9          1HG2      THR   9   9.416  -3.039  -2.768
   60   HG23  THR   9          2HG2      THR   9   8.707  -4.136  -1.583
   61    H    CYS  10           H        CYS  10   5.221  -5.131  -4.254
   62    HA   CYS  10           HA       CYS  10   5.093  -7.878  -3.309
   63    HB2  CYS  10           2HB      CYS  10   3.537  -5.595  -2.080
   64    HB3  CYS  10           1HB      CYS  10   3.075  -7.286  -1.888
   65    H    SER  11           H        SER  11   3.629  -9.062  -4.372
   66    HA   SER  11           HA       SER  11   1.299  -8.103  -5.624
   67    HB2  SER  11           2HB      SER  11   3.784  -8.162  -7.253
   68    HB3  SER  11           1HB      SER  11   2.347  -8.867  -7.996
   69    HG   SER  11           HG       SER  11   2.341  -6.309  -6.776
   70    H    ILE  12           H        ILE  12   2.338 -10.165  -3.904
   71    HA   ILE  12           HA       ILE  12   2.192 -12.672  -5.319
   72    HB   ILE  12           HB       ILE  12   1.677 -12.861  -2.471
   73   HG12  ILE  12          2HG1      ILE  12   4.432 -11.896  -2.794
   74   HG13  ILE  12          1HG1      ILE  12   3.212 -10.649  -3.033
   75   HG21  ILE  12          1HG2      ILE  12   2.916 -14.303  -4.445
   76   HG22  ILE  12          2HG2      ILE  12   4.256 -13.768  -3.433
   77   HG23  ILE  12          3HG2      ILE  12   2.924 -14.681  -2.724
   78   HD11  ILE  12          3HD1      ILE  12   3.924 -10.664  -0.744
   79   HD12  ILE  12          1HD1      ILE  12   2.250 -11.212  -0.840
   80   HD13  ILE  12          2HD1      ILE  12   3.549 -12.381  -0.599
   81    H    ASP  13           H        ASP  13   0.362 -11.692  -2.495
   82    HA   ASP  13           HA       ASP  13  -2.135 -12.613  -3.609
   83    HB2  ASP  13           2HB      ASP  13  -1.289 -12.584  -1.096
   84    HB3  ASP  13           1HB      ASP  13  -1.904 -10.938  -1.124
   85    H    ASP  14           H        ASP  14  -3.874 -10.598  -2.723
   86    HA   ASP  14           HA       ASP  14  -3.395  -8.467  -4.600
   87    HB2  ASP  14           2HB      ASP  14  -5.689  -9.353  -3.993
   88    HB3  ASP  14           1HB      ASP  14  -5.507  -8.563  -2.431
   89    H    TYR  15           H        TYR  15  -1.303  -8.697  -2.825
   90    HA   TYR  15           HA       TYR  15  -1.566  -6.588  -0.832
   91    HB2  TYR  15           2HB      TYR  15   0.556  -8.606  -1.520
   92    HB3  TYR  15           1HB      TYR  15   0.934  -7.228  -0.497
   93    HD1  TYR  15           2HD      TYR  15  -2.245  -7.618   0.449
   94    HD2  TYR  15           1HD      TYR  15   1.378  -9.843   0.568
   95    HE1  TYR  15           2HE      TYR  15  -3.073  -8.859   2.404
   96    HE2  TYR  15           1HE      TYR  15   0.560 -11.087   2.514
   97    HH   TYR  15           HH       TYR  15  -2.241 -11.533   3.366
   98    H    LYS  16           H        LYS  16  -1.866  -4.836  -2.264
   99    HA   LYS  16           HA       LYS  16   0.157  -4.232  -4.230
  100    HB2  LYS  16           2HB      LYS  16  -1.204  -1.971  -4.202
  101    HB3  LYS  16           1HB      LYS  16  -1.872  -3.410  -4.959
  102    HG2  LYS  16           2HG      LYS  16  -2.562  -3.327  -2.169
  103    HG3  LYS  16           1HG      LYS  16  -3.031  -1.828  -2.973
  104    HD2  LYS  16           2HD      LYS  16  -4.308  -3.044  -4.611
  105    HD3  LYS  16           1HD      LYS  16  -3.725  -4.586  -3.982
  106    HE2  LYS  16           2HE      LYS  16  -4.932  -4.316  -1.955
  107    HE3  LYS  16           1HE      LYS  16  -5.288  -2.628  -2.313
  108    HZ1  LYS  16           3HZ      LYS  16  -7.256  -3.664  -2.851
  109    HZ2  LYS  16           1HZ      LYS  16  -6.498  -5.064  -3.449
  110    HZ3  LYS  16           2HZ      LYS  16  -6.482  -3.635  -4.363
  111    HA   PRO  17           HA       PRO  17   2.940  -2.027  -1.649
  112    HB2  PRO  17           2HB      PRO  17   3.706   0.024  -3.310
  113    HB3  PRO  17           1HB      PRO  17   4.328  -1.625  -3.427
  114    HG2  PRO  17           2HG      PRO  17   2.169  -0.298  -5.015
  115    HG3  PRO  17           1HG      PRO  17   3.448  -1.393  -5.565
  116    HD2  PRO  17           2HD      PRO  17   0.918  -2.235  -5.190
  117    HD3  PRO  17           1HD      PRO  17   2.311  -3.281  -4.847
  118    H    TYR  18           H        TYR  18   2.597  -0.679  -0.028
  119    HA   TYR  18           HA       TYR  18   0.815   1.617  -0.457
  120    HB2  TYR  18           2HB      TYR  18   0.544  -0.656   1.439
  121    HB3  TYR  18           1HB      TYR  18   0.107   0.945   2.028
  122    HD1  TYR  18           2HD      TYR  18  -1.377   2.314   0.236
  123    HD2  TYR  18           1HD      TYR  18  -1.158  -1.916   0.570
  124    HE1  TYR  18           2HE      TYR  18  -3.562   2.124  -0.857
  125    HE2  TYR  18           1HE      TYR  18  -3.340  -2.125  -0.529
  126    HH   TYR  18           HH       TYR  18  -4.794   0.352  -2.223
  127    H    CYS  19           H        CYS  19   1.143   3.386   0.874
  128    HA   CYS  19           HA       CYS  19   3.670   3.370   2.393
  129    HB2  CYS  19           2HB      CYS  19   2.906   5.044   0.352
  130    HB3  CYS  19           1HB      CYS  19   2.447   5.975   1.774
  131    H    CYS  20           H        CYS  20   2.574   2.465   4.230
  132    HA   CYS  20           HA       CYS  20   0.376   3.867   5.413
  133    HB2  CYS  20           2HB      CYS  20   1.925   1.407   6.042
  134    HB3  CYS  20           1HB      CYS  20   1.056   2.186   7.360
  135    H    GLN  21           H        GLN  21   0.783   5.797   6.153
  136    HA   GLN  21           HA       GLN  21   3.268   6.536   7.358
  137    HB2  GLN  21           2HB      GLN  21   2.052   8.143   6.035
  138    HB3  GLN  21           1HB      GLN  21   0.630   7.970   7.051
  139    HG2  GLN  21           2HG      GLN  21   1.859  10.042   7.457
  140    HG3  GLN  21           1HG      GLN  21   1.744   9.018   8.885
  141   HE21  GLN  21          1HE2      GLN  21   3.835  10.541   6.629
  142   HE22  GLN  21          2HE2      GLN  21   5.332  10.050   7.354
  143    H    SER  22           H        SER  22   3.769   5.765   9.271
  144    HA   SER  22           HA       SER  22   2.375   6.596  11.597
  145    HB2  SER  22           2HB      SER  22   2.088   3.754  10.695
  146    HB3  SER  22           1HB      SER  22   2.262   4.078  12.417
  147    HG   SER  22           HG       SER  22   0.368   5.456  10.829
  148    H    MET  23           H        MET  23   3.677   6.370  13.458
  149    HA   MET  23           HA       MET  23   6.452   5.608  12.840
  150    HB2  MET  23           2HB      MET  23   5.225   7.651  14.638
  151    HB3  MET  23           1HB      MET  23   6.781   6.969  15.087
  152    HG2  MET  23           2HG      MET  23   7.848   8.235  13.620
  153    HG3  MET  23           1HG      MET  23   6.770   7.746  12.315
  154    HE1  MET  23           3HE      MET  23   4.374  10.053  11.672
  155    HE2  MET  23           1HE      MET  23   5.926  10.685  11.124
  156    HE3  MET  23           2HE      MET  23   5.638   8.945  11.138
  157    H    SER  24           H        SER  24   3.959   5.389  15.338
  158    HA   SER  24           HA       SER  24   5.036   2.786  16.090
  159    HB2  SER  24           2HB      SER  24   4.293   3.934  18.543
  160    HB3  SER  24           1HB      SER  24   5.927   3.550  18.005
  161    HG   SER  24           HG       SER  24   6.310   5.601  17.762
  162    H    GLY  25           H        GLY  25   2.621   4.897  17.654
  163    HA2  GLY  25           1HA      GLY  25   0.414   3.473  16.478
  164    HA3  GLY  25           2HA      GLY  25   0.712   3.013  18.146
  165    H    SER  26           H        SER  26   0.165   5.844  16.083
  166    HA   SER  26           HA       SER  26  -0.896   7.301  18.386
  167    HB2  SER  26           2HB      SER  26  -0.679   8.392  15.586
  168    HB3  SER  26           1HB      SER  26  -0.640   9.267  17.119
  169    HG   SER  26           HG       SER  26   1.416   8.618  17.465
  170    H    ALA  27           H        ALA  27  -1.839   5.994  15.265
  171    HA   ALA  27           HA       ALA  27  -4.526   5.623  16.163
  172    HB1  ALA  27           1HB      ALA  27  -5.563   6.844  14.265
  173    HB2  ALA  27           2HB      ALA  27  -4.748   7.917  15.403
  174    HB3  ALA  27           3HB      ALA  27  -3.982   7.514  13.865
  175    H    SER  28           H        SER  28  -5.394   5.411  13.336
  176    HA   SER  28           HA       SER  28  -4.314   2.821  12.732
  177    HB2  SER  28           2HB      SER  28  -5.914   4.191  10.662
  178    HB3  SER  28           1HB      SER  28  -6.123   2.589  11.370
  179    HG   SER  28           HG       SER  28  -7.843   3.896  11.987
  180    H    LEU  29           H        LEU  29  -3.436   2.371  10.494
  181    HA   LEU  29           HA       LEU  29  -1.270   4.223  10.062
  182    HB2  LEU  29           2HB      LEU  29  -1.321   2.209   8.041
  183    HB3  LEU  29           1HB      LEU  29  -0.168   2.438   9.336
  184    HG   LEU  29           HG       LEU  29  -2.608   1.123  10.248
  185   HD11  LEU  29          1HD1      LEU  29  -1.237   0.166   7.820
  186   HD12  LEU  29          2HD1      LEU  29  -1.614  -1.038   9.054
  187   HD13  LEU  29          3HD1      LEU  29  -2.903  -0.057   8.354
  188   HD21  LEU  29          3HD2      LEU  29  -1.128   0.387  11.726
  189   HD22  LEU  29          1HD2      LEU  29  -0.229  -0.436  10.451
  190   HD23  LEU  29          2HD2      LEU  29   0.143   1.241  10.851
  191    H    GLY  30           H        GLY  30  -1.490   5.940   8.826
  192    HA2  GLY  30           1HA      GLY  30  -3.601   6.135   6.887
  193    HA3  GLY  30           2HA      GLY  30  -2.399   7.371   7.248
  194    H    CYS  31           H        CYS  31  -3.090   4.493   5.429
  195    HA   CYS  31           HA       CYS  31  -0.564   4.517   4.049
  196    HB2  CYS  31           2HB      CYS  31  -2.671   2.655   4.536
  197    HB3  CYS  31           1HB      CYS  31  -2.483   2.815   2.796
  198    H    VAL  32           H        VAL  32  -0.188   5.174   2.007
  199    HA   VAL  32           HA       VAL  32  -2.484   5.934   0.323
  200    HB   VAL  32           HB       VAL  32  -0.203   7.153  -0.774
  201   HG11  VAL  32          1HG1      VAL  32  -1.512   9.234   0.304
  202   HG12  VAL  32          2HG1      VAL  32  -2.068   8.369  -1.130
  203   HG13  VAL  32          3HG1      VAL  32  -2.751   7.987   0.449
  204   HG21  VAL  32          3HG2      VAL  32  -0.190   7.273   2.199
  205   HG22  VAL  32          1HG2      VAL  32   1.159   7.266   1.062
  206   HG23  VAL  32          2HG2      VAL  32   0.218   8.738   1.302
  207    H    VAL  33           H        VAL  33  -2.086   5.510  -2.017
  208    HA   VAL  33           HA       VAL  33  -1.023   2.918  -2.403
  209    HB   VAL  33           HB       VAL  33  -1.742   5.031  -4.448
  210   HG11  VAL  33          1HG1      VAL  33  -1.554   3.427  -6.162
  211   HG12  VAL  33          2HG1      VAL  33  -0.082   3.241  -5.207
  212   HG13  VAL  33          3HG1      VAL  33  -1.410   2.097  -5.013
  213   HG21  VAL  33          3HG2      VAL  33  -3.785   3.771  -4.743
  214   HG22  VAL  33          1HG2      VAL  33  -3.247   2.575  -3.563
  215   HG23  VAL  33          2HG2      VAL  33  -3.605   4.223  -3.046
  216    H    GLY  34           H        GLY  34   0.966   2.237  -2.942
  217    HA2  GLY  34           1HA      GLY  34   3.228   3.855  -2.810
  218    HA3  GLY  34           2HA      GLY  34   3.166   2.278  -3.592
  219    H    VAL  35           H        VAL  35   3.960   5.374  -4.114
  220    HA   VAL  35           HA       VAL  35   2.661   5.814  -6.626
  221    HB   VAL  35           HB       VAL  35   4.784   7.607  -6.488
  222   HG11  VAL  35          1HG1      VAL  35   3.087   9.002  -6.832
  223   HG12  VAL  35          2HG1      VAL  35   1.997   7.631  -6.616
  224   HG13  VAL  35          3HG1      VAL  35   2.409   8.654  -5.240
  225   HG21  VAL  35          3HG2      VAL  35   3.993   6.721  -3.788
  226   HG22  VAL  35          1HG2      VAL  35   5.493   7.461  -4.348
  227   HG23  VAL  35          2HG2      VAL  35   4.077   8.464  -4.039
  228    H    ILE  36           H        ILE  36   3.203   4.721  -8.334
  229    HA   ILE  36           HA       ILE  36   5.598   3.245  -8.585
  230    HB   ILE  36           HB       ILE  36   3.512   3.951 -10.656
  231   HG12  ILE  36          2HG1      ILE  36   3.418   1.231 -10.036
  232   HG13  ILE  36          1HG1      ILE  36   3.663   2.023  -8.484
  233   HG21  ILE  36          1HG2      ILE  36   5.237   3.333 -12.030
  234   HG22  ILE  36          2HG2      ILE  36   5.984   2.304 -10.809
  235   HG23  ILE  36          3HG2      ILE  36   4.551   1.748 -11.671
  236   HD11  ILE  36          3HD1      ILE  36   1.672   3.267  -8.702
  237   HD12  ILE  36          1HD1      ILE  36   1.507   2.834 -10.403
  238   HD13  ILE  36          2HD1      ILE  36   1.280   1.609  -9.156
  239    H    GLY  37           H        GLY  37   7.534   4.001  -9.007
  240    HA2  GLY  37           1HA      GLY  37   9.150   5.043 -10.365
  241    HA3  GLY  37           2HA      GLY  37   7.877   6.005 -11.105
  242    H    SER  38           H        SER  38   7.322   6.088  -7.885
  243    HA   SER  38           HA       SER  38   8.951   8.515  -7.532
  244    HB2  SER  38           2HB      SER  38   6.374   8.232  -6.067
  245    HB3  SER  38           1HB      SER  38   7.150   9.680  -6.712
  246    HG   SER  38           HG       SER  38   6.460   7.975  -8.697
  247    H    GLN  39           H        GLN  39   8.576   9.027  -4.895
  248    HA   GLN  39           HA       GLN  39   9.684   6.593  -3.650
  249    HB2  GLN  39           2HB      GLN  39  10.567   9.408  -3.639
  250    HB3  GLN  39           1HB      GLN  39  10.628   8.592  -2.082
  251    HG2  GLN  39           2HG      GLN  39  12.176   7.034  -2.810
  252    HG3  GLN  39           1HG      GLN  39  11.811   7.317  -4.512
  253   HE21  GLN  39          1HE2      GLN  39  13.933   7.937  -2.042
  254   HE22  GLN  39          2HE2      GLN  39  14.778   9.281  -2.737
  255    H    CYS  40           H        CYS  40   9.049   6.015  -1.632
  256    HA   CYS  40           HA       CYS  40   6.480   6.907  -0.752
  257    HB2  CYS  40           2HB      CYS  40   8.121   4.653  -0.345
  258    HB3  CYS  40           1HB      CYS  40   7.886   5.374   1.245
  259    H    GLY  41           H        GLY  41   5.961   7.868   1.267
  260    HA2  GLY  41           1HA      GLY  41   8.134   9.563   2.316
  261    HA3  GLY  41           2HA      GLY  41   6.428   9.984   2.357
  262    H    ALA  42           H        ALA  42   6.558   6.805   3.027
  263    HA   ALA  42           HA       ALA  42   7.148   7.036   5.860
  264    HB1  ALA  42           1HB      ALA  42   5.002   6.419   6.628
  265    HB2  ALA  42           2HB      ALA  42   4.736   7.723   5.470
  266    HB3  ALA  42           3HB      ALA  42   4.441   6.051   4.997
  267    H    SER  43           H        SER  43   5.880   4.636   6.610
  268    HA   SER  43           HA       SER  43   7.811   2.749   5.754
  269    HB2  SER  43           2HB      SER  43   5.636   1.450   7.054
  270    HB3  SER  43           1HB      SER  43   7.205   1.886   7.734
  271    HG   SER  43           HG       SER  43   4.755   3.258   7.848
  272    H    VAL  44           H        VAL  44   7.743   1.334   4.120
  273    HA   VAL  44           HA       VAL  44   5.474   1.267   2.355
  274    HB   VAL  44           HB       VAL  44   7.941  -0.474   2.227
  275   HG11  VAL  44          1HG1      VAL  44   6.658   0.381  -0.250
  276   HG12  VAL  44          2HG1      VAL  44   7.190  -1.223   0.257
  277   HG13  VAL  44          3HG1      VAL  44   5.619  -0.610   0.774
  278   HG21  VAL  44          3HG2      VAL  44   7.474   2.297   1.155
  279   HG22  VAL  44          1HG2      VAL  44   8.738   1.761   2.260
  280   HG23  VAL  44          2HG2      VAL  44   8.756   1.235   0.576
  281    H    LYS  45           H        LYS  45   3.824  -0.063   2.505
  282    HA   LYS  45           HA       LYS  45   4.168  -2.596   3.973
  283    HB2  LYS  45           2HB      LYS  45   1.791  -0.732   3.940
  284    HB3  LYS  45           1HB      LYS  45   1.739  -2.365   4.588
  285    HG2  LYS  45           2HG      LYS  45   3.718  -0.354   5.586
  286    HG3  LYS  45           1HG      LYS  45   2.073  -0.428   6.219
  287    HD2  LYS  45           2HD      LYS  45   2.793  -1.992   7.629
  288    HD3  LYS  45           1HD      LYS  45   2.955  -3.067   6.241
  289    HE2  LYS  45           2HE      LYS  45   5.182  -1.193   6.646
  290    HE3  LYS  45           1HE      LYS  45   4.980  -2.400   7.914
  291    HZ1  LYS  45           3HZ      LYS  45   4.718  -3.830   5.622
  292    HZ2  LYS  45           1HZ      LYS  45   6.113  -3.744   6.578
  293    HZ3  LYS  45           2HZ      LYS  45   5.936  -2.723   5.229
  294    H    CYS  46           H        CYS  46   2.510  -4.232   3.363
  295    HA   CYS  46           HA       CYS  46   1.574  -3.956   0.595
  296    HB2  CYS  46           2HB      CYS  46   2.653  -6.538   1.728
  297    HB3  CYS  46           1HB      CYS  46   2.251  -6.179   0.051
  298    H    CYS  47           H        CYS  47  -0.540  -3.668   1.074
  299    HA   CYS  47           HA       CYS  47  -1.801  -5.690   2.799
  300    HB2  CYS  47           2HB      CYS  47  -3.026  -2.989   2.608
  301    HB3  CYS  47           1HB      CYS  47  -2.973  -4.107   3.966
  302    H    LYS  48           H        LYS  48  -4.113  -5.987   2.405
  303    HA   LYS  48           HA       LYS  48  -4.800  -5.913  -0.400
  304    HB2  LYS  48           2HB      LYS  48  -5.713  -7.291   1.979
  305    HB3  LYS  48           1HB      LYS  48  -7.076  -6.580   1.125
  306    HG2  LYS  48           2HG      LYS  48  -7.030  -8.195  -0.378
  307    HG3  LYS  48           1HG      LYS  48  -5.341  -7.850  -0.753
  308    HD2  LYS  48           2HD      LYS  48  -4.557  -9.484   0.637
  309    HD3  LYS  48           1HD      LYS  48  -5.930  -9.352   1.742
  310    HE2  LYS  48           2HE      LYS  48  -7.359 -10.476   0.119
  311    HE3  LYS  48           1HE      LYS  48  -6.013 -10.568  -1.016
  312    HZ1  LYS  48           3HZ      LYS  48  -5.659 -11.733   1.651
  313    HZ2  LYS  48           1HZ      LYS  48  -5.008 -12.220   0.159
  314    HZ3  LYS  48           2HZ      LYS  48  -6.624 -12.569   0.529
  315    H    ASP  49           H        ASP  49  -7.668  -5.375   0.100
  316    HA   ASP  49           HA       ASP  49  -7.633  -2.549  -0.091
  317    HB2  ASP  49           2HB      ASP  49  -9.666  -4.658  -0.155
  318    HB3  ASP  49           1HB      ASP  49 -10.241  -3.147   0.546
  319    H    ASP  50           H        ASP  50  -9.265  -4.517   2.389
  320    HA   ASP  50           HA       ASP  50  -9.326  -4.428   4.652
  321    HB2  ASP  50           2HB      ASP  50  -6.869  -4.286   4.490
  322    HB3  ASP  50           1HB      ASP  50  -6.980  -2.531   4.428
  323    H    VAL  51           H        VAL  51  -8.752  -1.201   3.344
  324    HA   VAL  51           HA       VAL  51  -9.484   0.386   5.414
  325    HB   VAL  51           HB       VAL  51 -10.261   2.052   3.646
  326   HG11  VAL  51          1HG1      VAL  51  -7.932   1.732   4.637
  327   HG12  VAL  51          2HG1      VAL  51  -7.536   0.913   3.126
  328   HG13  VAL  51          3HG1      VAL  51  -8.051   2.599   3.104
  329   HG21  VAL  51          3HG2      VAL  51  -9.102   0.080   1.697
  330   HG22  VAL  51          1HG2      VAL  51 -10.836   0.167   2.008
  331   HG23  VAL  51          2HG2      VAL  51  -9.982   1.571   1.368
  332    H    THR  52           H        THR  52 -11.201   0.713   6.568
  333    HA   THR  52           HA       THR  52 -13.857   0.051   5.615
  334    HB   THR  52           HB       THR  52 -13.385   1.528   8.172
  335    HG1  THR  52           1HG      THR  52 -12.906  -1.272   7.934
  336   HG21  THR  52          3HG2      THR  52 -15.642   0.704   7.297
  337   HG22  THR  52          1HG2      THR  52 -15.226   0.292   8.961
  338   HG23  THR  52          2HG2      THR  52 -15.068  -0.917   7.685
  339    H    ASN  53           H        ASN  53 -12.681   1.898   4.005
  340    HA   ASN  53           HA       ASN  53 -14.252   4.307   4.460
  341    HB2  ASN  53           2HB      ASN  53 -11.916   4.616   5.463
  342    HB3  ASN  53           1HB      ASN  53 -11.307   4.532   3.815
  343   HD21  ASN  53          1HD2      ASN  53 -12.913   6.446   6.173
  344   HD22  ASN  53          2HD2      ASN  53 -13.032   7.892   5.234
  345    H    THR  54           H        THR  54 -14.533   5.559   2.537
  346    HA   THR  54           HA       THR  54 -14.667   3.962   0.173
  347    HB   THR  54           HB       THR  54 -15.143   6.765  -0.300
  348    HG1  THR  54           1HG      THR  54 -16.677   7.129   1.323
  349   HG21  THR  54          3HG2      THR  54 -16.689   4.209  -0.325
  350   HG22  THR  54          1HG2      THR  54 -16.369   5.338  -1.641
  351   HG23  THR  54          2HG2      THR  54 -17.564   5.738  -0.407
  352    H    GLY  55           H        GLY  55 -12.209   5.777   1.530
  353    HA2  GLY  55           1HA      GLY  55 -10.042   5.875   0.541
  354    HA3  GLY  55           2HA      GLY  55 -10.801   5.881  -1.046
  355    H    ASN  56           H        ASN  56 -11.942   7.876   1.563
  356    HA   ASN  56           HA       ASN  56 -11.589  10.231  -0.073
  357    HB2  ASN  56           2HB      ASN  56 -13.087   9.516   2.375
  358    HB3  ASN  56           1HB      ASN  56 -12.529  11.183   2.296
  359   HD21  ASN  56          1HD2      ASN  56 -15.180   9.643   1.974
  360   HD22  ASN  56          2HD2      ASN  56 -15.894  10.380   0.580
  361    H    SER  57           H        SER  57 -10.820   9.609   3.343
  362    HA   SER  57           HA       SER  57  -8.696  11.566   3.281
  363    HB2  SER  57           2HB      SER  57  -8.801  10.033   5.716
  364    HB3  SER  57           1HB      SER  57  -9.215  11.729   5.460
  365    HG   SER  57           HG       SER  57 -10.920  10.101   6.201
  366    H    GLY  58           H        GLY  58  -7.976   9.707   1.508
  367    HA2  GLY  58           1HA      GLY  58  -6.153   8.408   0.948
  368    HA3  GLY  58           2HA      GLY  58  -5.603   8.531   2.616
  369    H    LEU  59           H        LEU  59  -5.052   6.279   2.504
  370    HA   LEU  59           HA       LEU  59  -7.408   4.529   2.663
  371    HB2  LEU  59           2HB      LEU  59  -4.614   4.057   1.711
  372    HB3  LEU  59           1HB      LEU  59  -5.525   2.718   2.385
  373    HG   LEU  59           HG       LEU  59  -7.191   4.028   0.493
  374   HD11  LEU  59          1HD1      LEU  59  -5.701   3.465  -1.526
  375   HD12  LEU  59          2HD1      LEU  59  -5.428   4.988  -0.680
  376   HD13  LEU  59          3HD1      LEU  59  -4.358   3.615  -0.391
  377   HD21  LEU  59          3HD2      LEU  59  -5.787   1.365   0.568
  378   HD22  LEU  59          1HD2      LEU  59  -7.445   1.728   1.050
  379   HD23  LEU  59          2HD2      LEU  59  -6.983   1.808  -0.650
  380    H    ILE  60           H        ILE  60  -7.859   4.908   4.804
  381    HA   ILE  60           HA       ILE  60  -5.855   4.608   6.841
  382    HB   ILE  60           HB       ILE  60  -8.852   4.631   7.231
  383   HG12  ILE  60          2HG1      ILE  60  -7.617   7.167   7.780
  384   HG13  ILE  60          1HG1      ILE  60  -7.245   6.687   6.128
  385   HG21  ILE  60          1HG2      ILE  60  -6.544   5.331   9.038
  386   HG22  ILE  60          2HG2      ILE  60  -8.242   5.591   9.432
  387   HG23  ILE  60          3HG2      ILE  60  -7.635   3.954   9.191
  388   HD11  ILE  60          3HD1      ILE  60  -9.993   6.180   6.583
  389   HD12  ILE  60          1HD1      ILE  60  -9.628   7.809   7.146
  390   HD13  ILE  60          2HD1      ILE  60  -9.251   7.346   5.488
  391    H    ILE  61           H        ILE  61  -5.016   2.595   6.724
  392    HA   ILE  61           HA       ILE  61  -6.658   0.247   6.436
  393    HB   ILE  61           HB       ILE  61  -3.728   0.356   7.160
  394   HG12  ILE  61          2HG1      ILE  61  -4.370   1.672   5.067
  395   HG13  ILE  61          1HG1      ILE  61  -3.142   0.425   4.874
  396   HG21  ILE  61          1HG2      ILE  61  -4.001  -1.850   7.294
  397   HG22  ILE  61          2HG2      ILE  61  -5.600  -1.785   6.549
  398   HG23  ILE  61          3HG2      ILE  61  -4.156  -1.824   5.537
  399   HD11  ILE  61          3HD1      ILE  61  -6.034  -0.086   4.274
  400   HD12  ILE  61          1HD1      ILE  61  -4.927   0.599   3.084
  401   HD13  ILE  61          2HD1      ILE  61  -4.620  -1.002   3.754
  402    H    ASN  62           H        ASN  62  -7.214  -1.220   7.962
  403    HA   ASN  62           HA       ASN  62  -7.169  -0.357  10.727
  404    HB2  ASN  62           2HB      ASN  62  -8.249  -2.897   9.481
  405    HB3  ASN  62           1HB      ASN  62  -8.523  -2.375  11.138
  406   HD21  ASN  62          1HD2      ASN  62  -9.256  -1.792   7.785
  407   HD22  ASN  62          2HD2      ASN  62 -10.650  -0.797   8.077
  408    H    ALA  63           H        ALA  63  -4.977  -1.796   8.841
  409    HA   ALA  63           HA       ALA  63  -3.068  -2.963   9.151
  410    HB1  ALA  63           1HB      ALA  63  -1.936  -2.598  11.062
  411    HB2  ALA  63           2HB      ALA  63  -3.285  -1.520  11.415
  412    HB3  ALA  63           3HB      ALA  63  -3.267  -3.152  12.080
  413    H    ALA  64           H        ALA  64  -5.663  -4.309   8.919
  414    HA   ALA  64           HA       ALA  64  -5.203  -6.759  10.469
  415    HB1  ALA  64           1HB      ALA  64  -7.632  -5.836   8.933
  416    HB2  ALA  64           2HB      ALA  64  -7.508  -7.354   9.824
  417    HB3  ALA  64           3HB      ALA  64  -7.424  -5.816  10.683
  418    H    ASN  65           H        ASN  65  -6.135  -5.778   7.169
  419    HA   ASN  65           HA       ASN  65  -5.228  -8.370   6.159
  420    HB2  ASN  65           2HB      ASN  65  -7.317  -6.642   5.452
  421    HB3  ASN  65           1HB      ASN  65  -6.161  -6.521   4.128
  422   HD21  ASN  65          1HD2      ASN  65  -8.887  -7.850   4.541
  423   HD22  ASN  65          2HD2      ASN  65  -8.644  -9.441   3.901
  424    H    CYS  66           H        CYS  66  -3.066  -7.236   7.023
  425    HA   CYS  66           HA       CYS  66  -1.594  -6.456   4.646
  426    HB2  CYS  66           2HB      CYS  66  -2.500  -4.332   5.700
  427    HB3  CYS  66           1HB      CYS  66  -1.493  -4.689   7.100
  428    H    VAL  67           H        VAL  67   0.775  -6.380   5.091
  429    HA   VAL  67           HA       VAL  67   1.490  -8.139   7.344
  430    HB   VAL  67           HB       VAL  67   3.445  -8.864   5.936
  431   HG11  VAL  67          1HG1      VAL  67   2.111 -10.630   5.787
  432   HG12  VAL  67          2HG1      VAL  67   0.668  -9.621   5.709
  433   HG13  VAL  67          3HG1      VAL  67   1.564  -9.994   4.236
  434   HG21  VAL  67          3HG2      VAL  67   2.882  -6.802   4.326
  435   HG22  VAL  67          1HG2      VAL  67   3.737  -8.242   3.776
  436   HG23  VAL  67          2HG2      VAL  67   2.008  -8.074   3.474
  437    H    ALA  68           H        ALA  68   3.479  -7.770   8.378
  438    HA   ALA  68           HA       ALA  68   4.221  -5.031   8.623
  439    HB1  ALA  68           1HB      ALA  68   4.572  -7.391  10.115
  440    HB2  ALA  68           2HB      ALA  68   6.186  -6.781   9.757
  441    HB3  ALA  68           3HB      ALA  68   5.013  -5.747  10.575
  Start of MODEL    5
    1    H1   SER   1           1H       SER   1  11.661   7.673   5.546
    2    H2   SER   1           2H       SER   1  13.261   8.216   5.670
    3    H3   SER   1           3H       SER   1  12.618   7.183   6.853
    4    HA   SER   1           HA       SER   1  14.154   6.179   5.126
    5    HB2  SER   1           2HB      SER   1  11.638   4.644   5.032
    6    HB3  SER   1           1HB      SER   1  13.213   4.187   5.682
    7    HG   SER   1           HG       SER   1  11.658   4.360   7.342
    8    H    ALA   2           H        ALA   2  14.430   5.665   2.980
    9    HA   ALA   2           HA       ALA   2  12.282   6.543   1.157
   10    HB1  ALA   2           1HB      ALA   2  13.736   8.039   0.382
   11    HB2  ALA   2           2HB      ALA   2  15.061   7.336   1.313
   12    HB3  ALA   2           3HB      ALA   2  14.658   6.688  -0.278
   13    H    THR   3           H        THR   3  11.448   4.965   0.001
   14    HA   THR   3           HA       THR   3  13.204   2.885  -1.077
   15    HB   THR   3           HB       THR   3  10.554   1.890  -0.267
   16    HG1  THR   3           1HG      THR   3  11.761   3.329   1.498
   17   HG21  THR   3          3HG2      THR   3  12.143   0.049   0.637
   18   HG22  THR   3          1HG2      THR   3  13.392   0.918  -0.255
   19   HG23  THR   3          2HG2      THR   3  11.996   0.261  -1.107
   20    H    THR   4           H        THR   4  12.376   1.899  -3.017
   21    HA   THR   4           HA       THR   4  10.967   3.812  -4.622
   22    HB   THR   4           HB       THR   4  11.447   1.156  -5.787
   23    HG1  THR   4           1HG      THR   4  13.638   1.173  -5.570
   24   HG21  THR   4          3HG2      THR   4  12.848   3.548  -6.776
   25   HG22  THR   4          1HG2      THR   4  11.091   3.665  -6.746
   26   HG23  THR   4          2HG2      THR   4  11.872   2.365  -7.646
   27    H    ILE   5           H        ILE   5   8.934   3.736  -5.406
   28    HA   ILE   5           HA       ILE   5   7.211   1.594  -4.380
   29    HB   ILE   5           HB       ILE   5   6.347   4.253  -5.510
   30   HG12  ILE   5          2HG1      ILE   5   6.625   3.424  -2.612
   31   HG13  ILE   5          1HG1      ILE   5   7.700   4.535  -3.455
   32   HG21  ILE   5          1HG2      ILE   5   4.983   1.855  -4.555
   33   HG22  ILE   5          2HG2      ILE   5   4.391   3.353  -3.838
   34   HG23  ILE   5          3HG2      ILE   5   4.399   3.161  -5.588
   35   HD11  ILE   5          3HD1      ILE   5   4.975   4.949  -2.412
   36   HD12  ILE   5          1HD1      ILE   5   6.346   6.058  -2.487
   37   HD13  ILE   5          2HD1      ILE   5   5.377   5.752  -3.931
   38    H    GLY   6           H        GLY   6   6.448   0.118  -5.706
   39    HA2  GLY   6           1HA      GLY   6   5.449   0.847  -8.311
   40    HA3  GLY   6           2HA      GLY   6   6.826  -0.251  -8.354
   41    HA   PRO   7           HA       PRO   7   2.608  -2.431  -7.421
   42    HB2  PRO   7           2HB      PRO   7   2.249  -3.524  -9.920
   43    HB3  PRO   7           1HB      PRO   7   1.456  -2.049  -9.358
   44    HG2  PRO   7           2HG      PRO   7   3.909  -2.357 -11.042
   45    HG3  PRO   7           1HG      PRO   7   2.558  -1.224 -11.229
   46    HD2  PRO   7           2HD      PRO   7   4.883  -0.439 -10.163
   47    HD3  PRO   7           1HD      PRO   7   3.333   0.176  -9.539
   48    H    ASN   8           H        ASN   8   5.746  -3.005  -8.524
   49    HA   ASN   8           HA       ASN   8   5.423  -5.901  -8.170
   50    HB2  ASN   8           2HB      ASN   8   6.620  -4.623 -10.266
   51    HB3  ASN   8           1HB      ASN   8   8.001  -4.987  -9.234
   52   HD21  ASN   8          1HD2      ASN   8   8.173  -7.238  -8.477
   53   HD22  ASN   8          2HD2      ASN   8   7.674  -8.507  -9.549
   54    H    THR   9           H        THR   9   6.190  -3.323  -6.344
   55    HA   THR   9           HA       THR   9   8.476  -4.170  -4.930
   56    HB   THR   9           HB       THR   9   6.040  -2.805  -3.737
   57    HG1  THR   9           1HG      THR   9   8.296  -1.341  -4.521
   58   HG21  THR   9          3HG2      THR   9   8.888  -3.145  -2.853
   59   HG22  THR   9          1HG2      THR   9   7.400  -3.422  -1.946
   60   HG23  THR   9          2HG2      THR   9   7.923  -1.773  -2.298
   61    H    CYS  10           H        CYS  10   5.027  -4.793  -4.384
   62    HA   CYS  10           HA       CYS  10   5.695  -7.262  -2.975
   63    HB2  CYS  10           2HB      CYS  10   2.906  -6.324  -3.599
   64    HB3  CYS  10           1HB      CYS  10   3.458  -7.334  -2.266
   65    H    SER  11           H        SER  11   4.302  -9.262  -3.779
   66    HA   SER  11           HA       SER  11   3.852  -9.443  -6.570
   67    HB2  SER  11           2HB      SER  11   6.178 -11.068  -6.392
   68    HB3  SER  11           1HB      SER  11   5.933  -9.652  -7.412
   69    HG   SER  11           HG       SER  11   6.823  -8.369  -5.836
   70    H    ILE  12           H        ILE  12   2.679 -10.220  -4.172
   71    HA   ILE  12           HA       ILE  12   2.930 -13.134  -4.270
   72    HB   ILE  12           HB       ILE  12   2.193 -12.662  -1.670
   73   HG12  ILE  12          2HG1      ILE  12   4.363 -10.661  -2.357
   74   HG13  ILE  12          1HG1      ILE  12   2.702 -10.245  -1.947
   75   HG21  ILE  12          1HG2      ILE  12   4.732 -13.379  -3.038
   76   HG22  ILE  12          2HG2      ILE  12   4.768 -13.098  -1.297
   77   HG23  ILE  12          3HG2      ILE  12   3.713 -14.342  -1.969
   78   HD11  ILE  12          3HD1      ILE  12   3.141 -11.491   0.247
   79   HD12  ILE  12          1HD1      ILE  12   4.846 -11.364  -0.191
   80   HD13  ILE  12          2HD1      ILE  12   3.880  -9.905   0.022
   81    H    ASP  13           H        ASP  13   0.919 -11.808  -1.873
   82    HA   ASP  13           HA       ASP  13  -1.361 -12.884  -3.341
   83    HB2  ASP  13           2HB      ASP  13  -0.561 -13.742  -1.081
   84    HB3  ASP  13           1HB      ASP  13  -1.227 -12.256  -0.413
   85    H    ASP  14           H        ASP  14  -1.649 -10.902  -4.564
   86    HA   ASP  14           HA       ASP  14  -2.656  -8.906  -5.021
   87    HB2  ASP  14           2HB      ASP  14  -4.570 -10.391  -4.299
   88    HB3  ASP  14           1HB      ASP  14  -4.468  -9.636  -2.713
   89    H    TYR  15           H        TYR  15  -0.431  -8.536  -3.479
   90    HA   TYR  15           HA       TYR  15  -1.231  -6.511  -1.508
   91    HB2  TYR  15           2HB      TYR  15   1.231  -8.227  -1.763
   92    HB3  TYR  15           1HB      TYR  15   1.230  -6.773  -0.772
   93    HD1  TYR  15           1HD      TYR  15  -1.488  -6.891   0.404
   94    HD2  TYR  15           2HD      TYR  15   1.382  -9.970  -0.220
   95    HE1  TYR  15           1HE      TYR  15  -2.465  -8.174   2.265
   96    HE2  TYR  15           2HE      TYR  15   0.414 -11.258   1.635
   97    HH   TYR  15           HH       TYR  15  -2.091 -11.298   2.735
   98    H    LYS  16           H        LYS  16  -0.648  -4.437  -1.776
   99    HA   LYS  16           HA       LYS  16   1.072  -3.796  -4.081
  100    HB2  LYS  16           2HB      LYS  16  -0.719  -1.635  -3.522
  101    HB3  LYS  16           1HB      LYS  16  -0.576  -2.581  -4.994
  102    HG2  LYS  16           2HG      LYS  16  -2.050  -3.941  -2.872
  103    HG3  LYS  16           1HG      LYS  16  -2.790  -2.430  -3.405
  104    HD2  LYS  16           2HD      LYS  16  -2.883  -3.185  -5.666
  105    HD3  LYS  16           1HD      LYS  16  -1.890  -4.596  -5.292
  106    HE2  LYS  16           2HE      LYS  16  -3.649  -5.506  -3.903
  107    HE3  LYS  16           1HE      LYS  16  -4.630  -4.063  -4.155
  108    HZ1  LYS  16           3HZ      LYS  16  -5.287  -4.758  -6.168
  109    HZ2  LYS  16           1HZ      LYS  16  -4.840  -6.297  -5.606
  110    HZ3  LYS  16           2HZ      LYS  16  -3.771  -5.403  -6.573
  111    HA   PRO  17           HA       PRO  17   3.477  -1.293  -1.330
  112    HB2  PRO  17           2HB      PRO  17   4.050   0.904  -2.808
  113    HB3  PRO  17           1HB      PRO  17   4.769  -0.677  -3.145
  114    HG2  PRO  17           2HG      PRO  17   2.396   0.633  -4.439
  115    HG3  PRO  17           1HG      PRO  17   3.780  -0.165  -5.209
  116    HD2  PRO  17           2HD      PRO  17   1.439  -1.434  -4.890
  117    HD3  PRO  17           1HD      PRO  17   2.982  -2.295  -4.710
  118    H    TYR  18           H        TYR  18   2.520  -0.418   0.399
  119    HA   TYR  18           HA       TYR  18   0.818   1.949  -0.010
  120    HB2  TYR  18           2HB      TYR  18   0.425  -0.443   1.752
  121    HB3  TYR  18           1HB      TYR  18  -0.202   1.118   2.270
  122    HD1  TYR  18           1HD      TYR  18  -0.485  -1.557  -0.233
  123    HD2  TYR  18           2HD      TYR  18  -2.083   2.132   1.147
  124    HE1  TYR  18           1HE      TYR  18  -2.486  -1.912  -1.617
  125    HE2  TYR  18           2HE      TYR  18  -4.087   1.787  -0.229
  126    HH   TYR  18           HH       TYR  18  -4.649   0.470  -2.376
  127    H    CYS  19           H        CYS  19   1.505   3.712   0.964
  128    HA   CYS  19           HA       CYS  19   3.771   3.557   2.772
  129    HB2  CYS  19           2HB      CYS  19   2.799   5.457   0.898
  130    HB3  CYS  19           1HB      CYS  19   2.766   6.226   2.481
  131    H    CYS  20           H        CYS  20   2.827   2.625   4.586
  132    HA   CYS  20           HA       CYS  20   0.554   3.791   5.884
  133    HB2  CYS  20           2HB      CYS  20   2.613   1.849   6.956
  134    HB3  CYS  20           1HB      CYS  20   1.067   2.228   7.707
  135    H    GLN  21           H        GLN  21   0.751   5.813   6.575
  136    HA   GLN  21           HA       GLN  21   3.267   6.754   7.677
  137    HB2  GLN  21           2HB      GLN  21   0.723   8.347   7.439
  138    HB3  GLN  21           1HB      GLN  21   2.377   8.938   7.494
  139    HG2  GLN  21           2HG      GLN  21   2.427   7.374   5.267
  140    HG3  GLN  21           1HG      GLN  21   0.782   8.007   5.229
  141   HE21  GLN  21          1HE2      GLN  21   1.008  10.490   6.187
  142   HE22  GLN  21          2HE2      GLN  21   2.040  11.447   5.181
  143    H    SER  22           H        SER  22   3.161   8.146   9.650
  144    HA   SER  22           HA       SER  22   2.110   6.625  11.816
  145    HB2  SER  22           2HB      SER  22   3.115   9.365  12.323
  146    HB3  SER  22           1HB      SER  22   3.544   7.840  13.099
  147    HG   SER  22           HG       SER  22   4.923   7.364  11.458
  148    H    MET  23           H        MET  23   1.033   7.923  13.681
  149    HA   MET  23           HA       MET  23  -1.493   8.841  12.596
  150    HB2  MET  23           2HB      MET  23  -0.514   8.054  15.322
  151    HB3  MET  23           1HB      MET  23  -2.040   8.911  15.138
  152    HG2  MET  23           2HG      MET  23  -3.065   7.020  14.654
  153    HG3  MET  23           1HG      MET  23  -2.000   6.780  13.272
  154    HE1  MET  23           3HE      MET  23   0.349   4.102  14.179
  155    HE2  MET  23           1HE      MET  23  -1.104   4.219  13.186
  156    HE3  MET  23           2HE      MET  23   0.063   5.542  13.199
  157    H    SER  24           H        SER  24  -0.319  10.811  11.741
  158    HA   SER  24           HA       SER  24   0.299  12.874  13.631
  159    HB2  SER  24           2HB      SER  24  -0.159  14.061  11.134
  160    HB3  SER  24           1HB      SER  24   1.397  13.574  11.809
  161    HG   SER  24           HG       SER  24  -0.195  12.328   9.885
  162    H    GLY  25           H        GLY  25  -2.074  13.102  10.975
  163    HA2  GLY  25           1HA      GLY  25  -3.858  14.556  12.810
  164    HA3  GLY  25           2HA      GLY  25  -3.919  14.613  11.054
  165    H    SER  26           H        SER  26  -3.502  11.517  11.379
  166    HA   SER  26           HA       SER  26  -6.322  10.901  11.946
  167    HB2  SER  26           2HB      SER  26  -4.633   9.378   9.960
  168    HB3  SER  26           1HB      SER  26  -6.387   9.352  10.152
  169    HG   SER  26           HG       SER  26  -6.420  11.531   9.426
  170    H    ALA  27           H        ALA  27  -6.675   9.354  13.420
  171    HA   ALA  27           HA       ALA  27  -4.341   8.115  14.660
  172    HB1  ALA  27           1HB      ALA  27  -6.693   9.178  15.675
  173    HB2  ALA  27           2HB      ALA  27  -6.882   7.435  15.869
  174    HB3  ALA  27           3HB      ALA  27  -5.482   8.253  16.562
  175    H    SER  28           H        SER  28  -4.745   7.085  12.198
  176    HA   SER  28           HA       SER  28  -5.535   4.335  12.795
  177    HB2  SER  28           2HB      SER  28  -6.281   4.931  10.093
  178    HB3  SER  28           1HB      SER  28  -7.309   4.380  11.416
  179    HG   SER  28           HG       SER  28  -7.462   6.680  10.250
  180    H    LEU  29           H        LEU  29  -4.802   2.883  10.859
  181    HA   LEU  29           HA       LEU  29  -2.076   3.560  10.227
  182    HB2  LEU  29           2HB      LEU  29  -3.779   1.203  10.096
  183    HB3  LEU  29           1HB      LEU  29  -2.779   1.369   8.664
  184    HG   LEU  29           HG       LEU  29  -1.824  -0.046  10.534
  185   HD11  LEU  29          1HD1      LEU  29  -0.564   1.276   8.659
  186   HD12  LEU  29          2HD1      LEU  29   0.025   2.232  10.018
  187   HD13  LEU  29          3HD1      LEU  29   0.329   0.496   9.962
  188   HD21  LEU  29          3HD2      LEU  29  -2.040   2.567  11.900
  189   HD22  LEU  29          1HD2      LEU  29  -2.132   0.932  12.555
  190   HD23  LEU  29          2HD2      LEU  29  -0.563   1.644  12.177
  191    H    GLY  30           H        GLY  30  -2.162   5.393   8.980
  192    HA2  GLY  30           1HA      GLY  30  -3.886   5.601   6.694
  193    HA3  GLY  30           2HA      GLY  30  -2.641   6.747   7.171
  194    H    CYS  31           H        CYS  31  -3.025   3.501   5.815
  195    HA   CYS  31           HA       CYS  31  -0.513   3.694   4.397
  196    HB2  CYS  31           2HB      CYS  31  -2.659   1.577   4.172
  197    HB3  CYS  31           1HB      CYS  31  -0.984   1.446   3.643
  198    H    VAL  32           H        VAL  32  -0.787   5.391   2.961
  199    HA   VAL  32           HA       VAL  32  -2.976   5.332   1.062
  200    HB   VAL  32           HB       VAL  32  -0.746   7.073   0.344
  201   HG11  VAL  32          1HG1      VAL  32  -3.689   7.224   0.699
  202   HG12  VAL  32          2HG1      VAL  32  -2.774   8.731   0.737
  203   HG13  VAL  32          3HG1      VAL  32  -2.686   7.684  -0.678
  204   HG21  VAL  32          3HG2      VAL  32  -1.369   8.662   2.311
  205   HG22  VAL  32          1HG2      VAL  32  -1.819   7.168   3.131
  206   HG23  VAL  32          2HG2      VAL  32  -0.168   7.395   2.557
  207    H    VAL  33           H        VAL  33  -2.790   4.848  -1.149
  208    HA   VAL  33           HA       VAL  33  -1.008   2.819  -1.883
  209    HB   VAL  33           HB       VAL  33  -2.234   4.658  -3.927
  210   HG11  VAL  33          1HG1      VAL  33  -1.845   2.996  -5.400
  211   HG12  VAL  33          2HG1      VAL  33  -0.677   2.445  -4.198
  212   HG13  VAL  33          3HG1      VAL  33  -2.291   1.734  -4.251
  213   HG21  VAL  33          3HG2      VAL  33  -4.314   3.469  -3.808
  214   HG22  VAL  33          1HG2      VAL  33  -3.681   2.390  -2.563
  215   HG23  VAL  33          2HG2      VAL  33  -3.943   4.096  -2.201
  216    H    GLY  34           H        GLY  34   0.997   2.819  -2.669
  217    HA2  GLY  34           1HA      GLY  34   2.592   5.136  -2.503
  218    HA3  GLY  34           2HA      GLY  34   3.076   3.603  -3.204
  219    H    VAL  35           H        VAL  35   3.446   6.480  -4.017
  220    HA   VAL  35           HA       VAL  35   2.133   6.648  -6.573
  221    HB   VAL  35           HB       VAL  35   4.580   8.254  -6.142
  222   HG11  VAL  35          1HG1      VAL  35   1.954   9.485  -6.679
  223   HG12  VAL  35          2HG1      VAL  35   3.518   9.755  -7.448
  224   HG13  VAL  35          3HG1      VAL  35   2.549   8.351  -7.895
  225   HG21  VAL  35          3HG2      VAL  35   3.907   8.404  -3.898
  226   HG22  VAL  35          1HG2      VAL  35   3.239   9.846  -4.660
  227   HG23  VAL  35          2HG2      VAL  35   2.196   8.465  -4.325
  228    H    ILE  36           H        ILE  36   2.665   5.101  -7.979
  229    HA   ILE  36           HA       ILE  36   5.053   3.666  -8.062
  230    HB   ILE  36           HB       ILE  36   3.135   4.171 -10.339
  231   HG12  ILE  36          2HG1      ILE  36   2.811   1.585  -9.265
  232   HG13  ILE  36          1HG1      ILE  36   2.880   2.672  -7.884
  233   HG21  ILE  36          1HG2      ILE  36   4.462   1.609 -10.323
  234   HG22  ILE  36          2HG2      ILE  36   4.361   2.816 -11.604
  235   HG23  ILE  36          3HG2      ILE  36   5.625   2.933 -10.379
  236   HD11  ILE  36          3HD1      ILE  36   1.013   2.923 -10.229
  237   HD12  ILE  36          1HD1      ILE  36   0.596   2.314  -8.627
  238   HD13  ILE  36          2HD1      ILE  36   1.076   3.999  -8.833
  239    H    GLY  37           H        GLY  37   7.021   4.285  -8.581
  240    HA2  GLY  37           1HA      GLY  37   8.569   5.140 -10.213
  241    HA3  GLY  37           2HA      GLY  37   7.367   6.339 -10.671
  242    H    SER  38           H        SER  38   7.035   6.341  -7.495
  243    HA   SER  38           HA       SER  38   9.153   8.351  -7.088
  244    HB2  SER  38           2HB      SER  38   6.659   8.316  -5.431
  245    HB3  SER  38           1HB      SER  38   7.672   9.683  -5.906
  246    HG   SER  38           HG       SER  38   6.455   8.334  -7.982
  247    H    GLN  39           H        GLN  39   9.305   8.668  -4.481
  248    HA   GLN  39           HA       GLN  39   9.963   5.983  -3.484
  249    HB2  GLN  39           2HB      GLN  39  11.328   8.560  -3.402
  250    HB3  GLN  39           1HB      GLN  39  11.220   7.803  -1.818
  251    HG2  GLN  39           2HG      GLN  39  13.072   6.722  -2.411
  252    HG3  GLN  39           1HG      GLN  39  12.004   5.717  -3.388
  253   HE21  GLN  39          1HE2      GLN  39  13.618   5.290  -4.890
  254   HE22  GLN  39          2HE2      GLN  39  14.162   6.478  -6.023
  255    H    CYS  40           H        CYS  40   9.232   5.295  -1.534
  256    HA   CYS  40           HA       CYS  40   7.086   6.795  -0.278
  257    HB2  CYS  40           2HB      CYS  40   7.801   4.043  -0.506
  258    HB3  CYS  40           1HB      CYS  40   7.781   4.451   1.206
  259    H    GLY  41           H        GLY  41   7.384   8.106   1.404
  260    HA2  GLY  41           1HA      GLY  41  10.000   8.191   2.686
  261    HA3  GLY  41           2HA      GLY  41   8.712   9.376   2.864
  262    H    ALA  42           H        ALA  42   6.914   6.890   3.301
  263    HA   ALA  42           HA       ALA  42   7.439   6.761   6.185
  264    HB1  ALA  42           1HB      ALA  42   5.170   7.541   4.966
  265    HB2  ALA  42           2HB      ALA  42   4.845   5.815   5.144
  266    HB3  ALA  42           3HB      ALA  42   5.212   6.794   6.565
  267    H    SER  43           H        SER  43   6.020   4.571   6.904
  268    HA   SER  43           HA       SER  43   7.749   2.439   6.280
  269    HB2  SER  43           2HB      SER  43   5.212   1.534   7.319
  270    HB3  SER  43           1HB      SER  43   6.786   1.579   8.114
  271    HG   SER  43           HG       SER  43   4.743   3.521   8.078
  272    H    VAL  44           H        VAL  44   7.838   1.532   4.338
  273    HA   VAL  44           HA       VAL  44   5.558   1.397   2.587
  274    HB   VAL  44           HB       VAL  44   7.996  -0.186   1.967
  275   HG11  VAL  44          1HG1      VAL  44   6.021   0.110   0.445
  276   HG12  VAL  44          2HG1      VAL  44   6.479   1.806   0.295
  277   HG13  VAL  44          3HG1      VAL  44   7.581   0.544  -0.254
  278   HG21  VAL  44          3HG2      VAL  44   8.409   2.566   1.205
  279   HG22  VAL  44          1HG2      VAL  44   8.305   2.403   2.959
  280   HG23  VAL  44          2HG2      VAL  44   9.490   1.462   2.053
  281    H    LYS  45           H        LYS  45   4.022   0.005   3.151
  282    HA   LYS  45           HA       LYS  45   4.837  -2.698   3.984
  283    HB2  LYS  45           2HB      LYS  45   2.393  -1.073   4.676
  284    HB3  LYS  45           1HB      LYS  45   2.538  -2.789   5.027
  285    HG2  LYS  45           2HG      LYS  45   4.657  -0.931   5.989
  286    HG3  LYS  45           1HG      LYS  45   3.110  -0.998   6.836
  287    HD2  LYS  45           2HD      LYS  45   3.996  -2.718   7.965
  288    HD3  LYS  45           1HD      LYS  45   3.725  -3.654   6.494
  289    HE2  LYS  45           2HE      LYS  45   6.082  -2.496   5.897
  290    HE3  LYS  45           1HE      LYS  45   6.231  -2.609   7.650
  291    HZ1  LYS  45           3HZ      LYS  45   5.712  -4.990   7.465
  292    HZ2  LYS  45           1HZ      LYS  45   7.128  -4.564   6.634
  293    HZ3  LYS  45           2HZ      LYS  45   5.694  -4.851   5.772
  294    H    CYS  46           H        CYS  46   3.743  -4.468   3.130
  295    HA   CYS  46           HA       CYS  46   2.478  -3.990   0.553
  296    HB2  CYS  46           2HB      CYS  46   3.596  -6.416   1.928
  297    HB3  CYS  46           1HB      CYS  46   2.511  -6.596   0.553
  298    H    CYS  47           H        CYS  47   0.462  -3.248   1.004
  299    HA   CYS  47           HA       CYS  47  -1.314  -5.070   2.489
  300    HB2  CYS  47           2HB      CYS  47  -1.993  -2.182   2.361
  301    HB3  CYS  47           1HB      CYS  47  -2.269  -3.347   3.652
  302    H    LYS  48           H        LYS  48  -3.722  -4.238   1.956
  303    HA   LYS  48           HA       LYS  48  -4.010  -3.202  -0.716
  304    HB2  LYS  48           2HB      LYS  48  -4.682  -5.055  -1.809
  305    HB3  LYS  48           1HB      LYS  48  -3.864  -5.929  -0.526
  306    HG2  LYS  48           2HG      LYS  48  -6.535  -5.280   0.287
  307    HG3  LYS  48           1HG      LYS  48  -6.550  -6.099  -1.277
  308    HD2  LYS  48           2HD      LYS  48  -4.913  -7.758  -0.161
  309    HD3  LYS  48           1HD      LYS  48  -5.495  -7.066   1.357
  310    HE2  LYS  48           2HE      LYS  48  -6.779  -9.038   0.836
  311    HE3  LYS  48           1HE      LYS  48  -7.802  -7.611   0.678
  312    HZ1  LYS  48           3HZ      LYS  48  -6.499  -8.356  -1.784
  313    HZ2  LYS  48           1HZ      LYS  48  -8.132  -8.004  -1.474
  314    HZ3  LYS  48           2HZ      LYS  48  -7.533  -9.561  -1.181
  315    H    ASP  49           H        ASP  49  -5.914  -2.137  -0.963
  316    HA   ASP  49           HA       ASP  49  -7.615  -1.957   1.389
  317    HB2  ASP  49           2HB      ASP  49  -7.146   0.186   0.584
  318    HB3  ASP  49           1HB      ASP  49  -7.273  -0.311  -1.099
  319    H    ASP  50           H        ASP  50  -8.922  -3.668   1.480
  320    HA   ASP  50           HA       ASP  50 -10.479  -4.361  -0.919
  321    HB2  ASP  50           2HB      ASP  50  -8.999  -6.002   0.743
  322    HB3  ASP  50           1HB      ASP  50 -10.641  -6.224   1.335
  323    H    VAL  51           H        VAL  51 -10.950  -2.173   1.055
  324    HA   VAL  51           HA       VAL  51 -13.644  -3.010   1.898
  325    HB   VAL  51           HB       VAL  51 -12.406  -2.791   3.917
  326   HG11  VAL  51          1HG1      VAL  51 -10.738  -1.353   4.331
  327   HG12  VAL  51          2HG1      VAL  51 -10.752  -1.101   2.586
  328   HG13  VAL  51          3HG1      VAL  51 -11.609   0.018   3.645
  329   HG21  VAL  51          3HG2      VAL  51 -14.623  -1.209   3.363
  330   HG22  VAL  51          1HG2      VAL  51 -14.024  -1.672   4.956
  331   HG23  VAL  51          2HG2      VAL  51 -13.522  -0.143   4.236
  332    H    THR  52           H        THR  52 -11.608  -0.337   0.762
  333    HA   THR  52           HA       THR  52 -13.982   1.278   0.249
  334    HB   THR  52           HB       THR  52 -11.307   2.192  -0.664
  335    HG1  THR  52           1HG      THR  52 -10.771   1.296   1.343
  336   HG21  THR  52          3HG2      THR  52 -13.340   3.586  -0.857
  337   HG22  THR  52          1HG2      THR  52 -12.113   4.327   0.169
  338   HG23  THR  52          2HG2      THR  52 -13.513   3.542   0.897
  339    H    ASN  53           H        ASN  53 -11.098   0.523  -1.706
  340    HA   ASN  53           HA       ASN  53 -10.845  -0.349  -3.787
  341    HB2  ASN  53           2HB      ASN  53 -13.344  -1.402  -3.010
  342    HB3  ASN  53           1HB      ASN  53 -13.546  -0.811  -4.655
  343   HD21  ASN  53          1HD2      ASN  53 -12.858  -3.443  -2.932
  344   HD22  ASN  53          2HD2      ASN  53 -11.851  -4.305  -4.055
  345    H    THR  54           H        THR  54 -12.982   2.252  -3.180
  346    HA   THR  54           HA       THR  54 -13.617   2.889  -5.882
  347    HB   THR  54           HB       THR  54 -13.840   5.173  -4.168
  348    HG1  THR  54           1HG      THR  54 -15.241   2.977  -3.072
  349   HG21  THR  54          3HG2      THR  54 -16.283   4.711  -4.533
  350   HG22  THR  54          1HG2      THR  54 -15.809   3.244  -5.393
  351   HG23  THR  54          2HG2      THR  54 -15.320   4.825  -6.007
  352    H    GLY  55           H        GLY  55 -10.804   3.400  -4.034
  353    HA2  GLY  55           1HA      GLY  55  -8.820   4.396  -4.791
  354    HA3  GLY  55           2HA      GLY  55  -9.727   5.159  -6.094
  355    H    ASN  56           H        ASN  56  -9.561   5.185  -2.553
  356    HA   ASN  56           HA       ASN  56 -10.467   7.964  -2.555
  357    HB2  ASN  56           2HB      ASN  56 -11.715   6.897  -0.957
  358    HB3  ASN  56           1HB      ASN  56 -10.456   5.720  -0.605
  359   HD21  ASN  56          1HD2      ASN  56  -9.295   5.978   1.178
  360   HD22  ASN  56          2HD2      ASN  56  -9.279   7.393   2.175
  361    H    SER  57           H        SER  57  -9.243   9.663  -1.881
  362    HA   SER  57           HA       SER  57  -6.399   9.299  -1.666
  363    HB2  SER  57           2HB      SER  57  -7.396  11.945  -0.933
  364    HB3  SER  57           1HB      SER  57  -6.319  11.477  -2.251
  365    HG   SER  57           HG       SER  57  -9.087  11.807  -2.230
  366    H    GLY  58           H        GLY  58  -5.279   9.000   0.141
  367    HA2  GLY  58           1HA      GLY  58  -4.770   8.993   2.414
  368    HA3  GLY  58           2HA      GLY  58  -6.256   9.889   2.719
  369    H    LEU  59           H        LEU  59  -4.995   6.689   1.915
  370    HA   LEU  59           HA       LEU  59  -7.560   5.481   2.518
  371    HB2  LEU  59           2HB      LEU  59  -5.159   4.710   1.035
  372    HB3  LEU  59           1HB      LEU  59  -5.838   3.411   1.997
  373    HG   LEU  59           HG       LEU  59  -7.363   5.013  -0.059
  374   HD11  LEU  59          1HD1      LEU  59  -7.283   2.435  -0.937
  375   HD12  LEU  59          2HD1      LEU  59  -6.234   3.735  -1.506
  376   HD13  LEU  59          3HD1      LEU  59  -5.670   2.635  -0.248
  377   HD21  LEU  59          3HD2      LEU  59  -8.886   4.243   1.574
  378   HD22  LEU  59          1HD2      LEU  59  -8.993   3.107   0.229
  379   HD23  LEU  59          2HD2      LEU  59  -8.091   2.672   1.683
  380    H    ILE  60           H        ILE  60  -8.006   4.241   4.233
  381    HA   ILE  60           HA       ILE  60  -5.897   3.933   6.256
  382    HB   ILE  60           HB       ILE  60  -8.855   4.422   6.582
  383   HG12  ILE  60          2HG1      ILE  60  -7.379   6.023   8.323
  384   HG13  ILE  60          1HG1      ILE  60  -6.430   6.003   6.841
  385   HG21  ILE  60          1HG2      ILE  60  -7.486   2.637   8.127
  386   HG22  ILE  60          2HG2      ILE  60  -7.301   4.133   9.042
  387   HG23  ILE  60          3HG2      ILE  60  -8.911   3.538   8.638
  388   HD11  ILE  60          3HD1      ILE  60  -7.903   7.874   6.769
  389   HD12  ILE  60          1HD1      ILE  60  -8.476   6.681   5.602
  390   HD13  ILE  60          2HD1      ILE  60  -9.295   6.860   7.153
  391    H    ILE  61           H        ILE  61  -5.242   1.898   6.374
  392    HA   ILE  61           HA       ILE  61  -7.195  -0.250   5.918
  393    HB   ILE  61           HB       ILE  61  -4.208  -0.120   5.634
  394   HG12  ILE  61          2HG1      ILE  61  -5.220  -1.720   3.649
  395   HG13  ILE  61          1HG1      ILE  61  -6.558  -0.613   3.937
  396   HG21  ILE  61          1HG2      ILE  61  -5.546  -2.785   5.585
  397   HG22  ILE  61          2HG2      ILE  61  -3.850  -2.379   5.852
  398   HG23  ILE  61          3HG2      ILE  61  -5.035  -2.106   7.129
  399   HD11  ILE  61          3HD1      ILE  61  -5.525   0.758   2.535
  400   HD12  ILE  61          1HD1      ILE  61  -4.370   1.049   3.835
  401   HD13  ILE  61          2HD1      ILE  61  -4.026  -0.169   2.607
  402    H    ASN  62           H        ASN  62  -7.989  -1.210   7.672
  403    HA   ASN  62           HA       ASN  62  -7.007  -0.403  10.249
  404    HB2  ASN  62           2HB      ASN  62  -9.487  -1.144   9.256
  405    HB3  ASN  62           1HB      ASN  62  -9.038  -2.487  10.306
  406   HD21  ASN  62          1HD2      ASN  62 -10.769  -1.853  11.681
  407   HD22  ASN  62          2HD2      ASN  62 -10.567  -0.533  12.788
  408    H    ALA  63           H        ALA  63  -4.928  -1.589   9.451
  409    HA   ALA  63           HA       ALA  63  -3.316  -2.980  10.186
  410    HB1  ALA  63           1HB      ALA  63  -5.305  -3.130  12.243
  411    HB2  ALA  63           2HB      ALA  63  -4.481  -4.681  12.068
  412    HB3  ALA  63           3HB      ALA  63  -3.548  -3.213  12.366
  413    H    ALA  64           H        ALA  64  -6.227  -5.053  10.377
  414    HA   ALA  64           HA       ALA  64  -4.712  -7.334   9.515
  415    HB1  ALA  64           1HB      ALA  64  -6.478  -8.601  10.207
  416    HB2  ALA  64           2HB      ALA  64  -6.739  -7.146  11.169
  417    HB3  ALA  64           3HB      ALA  64  -7.676  -7.412   9.699
  418    H    ASN  65           H        ASN  65  -4.422  -5.718   7.453
  419    HA   ASN  65           HA       ASN  65  -5.532  -7.307   5.316
  420    HB2  ASN  65           2HB      ASN  65  -6.752  -4.785   5.920
  421    HB3  ASN  65           1HB      ASN  65  -5.869  -4.623   4.405
  422   HD21  ASN  65          1HD2      ASN  65  -7.754  -7.238   5.896
  423   HD22  ASN  65          2HD2      ASN  65  -8.794  -7.484   4.535
  424    H    CYS  66           H        CYS  66  -3.001  -6.758   6.574
  425    HA   CYS  66           HA       CYS  66  -1.391  -6.058   4.301
  426    HB2  CYS  66           2HB      CYS  66  -2.027  -3.830   5.213
  427    HB3  CYS  66           1HB      CYS  66  -1.323  -4.290   6.761
  428    H    VAL  67           H        VAL  67   0.760  -6.756   4.566
  429    HA   VAL  67           HA       VAL  67   1.214  -8.434   6.907
  430    HB   VAL  67           HB       VAL  67   3.482  -8.825   5.609
  431   HG11  VAL  67          1HG1      VAL  67   2.181 -10.582   4.214
  432   HG12  VAL  67          2HG1      VAL  67   2.151 -10.674   5.974
  433   HG13  VAL  67          3HG1      VAL  67   0.778  -9.990   5.107
  434   HG21  VAL  67          3HG2      VAL  67   3.223  -8.718   3.193
  435   HG22  VAL  67          1HG2      VAL  67   1.627  -7.991   3.381
  436   HG23  VAL  67          2HG2      VAL  67   3.063  -7.112   3.907
  437    H    ALA  68           H        ALA  68   1.864  -7.356   8.631
  438    HA   ALA  68           HA       ALA  68   3.412  -4.936   8.439
  439    HB1  ALA  68           1HB      ALA  68   3.318  -5.833  11.115
  440    HB2  ALA  68           2HB      ALA  68   2.390  -4.533  10.366
  441    HB3  ALA  68           3HB      ALA  68   1.746  -6.175  10.391
  Start of MODEL    6
    1    H1   SER   1           1H       SER   1  12.216   5.024   7.344
    2    H2   SER   1           2H       SER   1  11.088   5.497   6.173
    3    H3   SER   1           3H       SER   1  11.738   6.648   7.236
    4    HA   SER   1           HA       SER   1  13.490   6.998   5.981
    5    HB2  SER   1           2HB      SER   1  13.803   4.096   5.268
    6    HB3  SER   1           1HB      SER   1  15.050   5.322   5.509
    7    HG   SER   1           HG       SER   1  14.641   5.267   7.726
    8    H    ALA   2           H        ALA   2  14.102   7.161   3.722
    9    HA   ALA   2           HA       ALA   2  11.741   7.057   2.044
   10    HB1  ALA   2           1HB      ALA   2  14.334   8.020   0.976
   11    HB2  ALA   2           2HB      ALA   2  12.711   8.684   0.788
   12    HB3  ALA   2           3HB      ALA   2  13.600   8.940   2.289
   13    H    THR   3           H        THR   3  11.317   5.490   0.685
   14    HA   THR   3           HA       THR   3  13.528   4.031  -0.576
   15    HB   THR   3           HB       THR   3  11.084   2.447  -0.194
   16    HG1  THR   3           1HG      THR   3  12.726   2.989   2.091
   17   HG21  THR   3          3HG2      THR   3  13.724   1.558   0.812
   18   HG22  THR   3          1HG2      THR   3  13.616   1.899  -0.915
   19   HG23  THR   3          2HG2      THR   3  12.542   0.707  -0.184
   20    H    THR   4           H        THR   4  13.213   3.533  -2.741
   21    HA   THR   4           HA       THR   4  11.253   5.102  -4.114
   22    HB   THR   4           HB       THR   4  12.771   3.062  -5.629
   23    HG1  THR   4           1HG      THR   4  14.635   4.726  -5.325
   24   HG21  THR   4          3HG2      THR   4  13.077   4.848  -7.175
   25   HG22  THR   4          1HG2      THR   4  12.656   6.060  -5.963
   26   HG23  THR   4          2HG2      THR   4  11.417   4.974  -6.591
   27    H    ILE   5           H        ILE   5   9.307   4.489  -4.799
   28    HA   ILE   5           HA       ILE   5   8.452   1.795  -4.130
   29    HB   ILE   5           HB       ILE   5   6.819   4.166  -5.033
   30   HG12  ILE   5          2HG1      ILE   5   6.849   3.026  -2.257
   31   HG13  ILE   5          1HG1      ILE   5   8.076   4.191  -2.744
   32   HG21  ILE   5          1HG2      ILE   5   5.315   2.559  -5.470
   33   HG22  ILE   5          2HG2      ILE   5   6.172   1.354  -4.507
   34   HG23  ILE   5          3HG2      ILE   5   5.113   2.521  -3.717
   35   HD11  ILE   5          3HD1      ILE   5   6.524   5.583  -1.842
   36   HD12  ILE   5          1HD1      ILE   5   5.975   5.567  -3.519
   37   HD13  ILE   5          2HD1      ILE   5   5.166   4.561  -2.316
   38    H    GLY   6           H        GLY   6   8.242   0.238  -5.545
   39    HA2  GLY   6           1HA      GLY   6   7.428   0.925  -8.298
   40    HA3  GLY   6           2HA      GLY   6   8.541  -0.398  -7.948
   41    HA   PRO   7           HA       PRO   7   3.593  -1.083  -7.282
   42    HB2  PRO   7           2HB      PRO   7   3.903  -2.033 -10.099
   43    HB3  PRO   7           1HB      PRO   7   2.489  -1.339  -9.296
   44    HG2  PRO   7           2HG      PRO   7   4.008   0.127 -10.929
   45    HG3  PRO   7           1HG      PRO   7   3.282   0.820  -9.470
   46    HD2  PRO   7           2HD      PRO   7   6.107   0.140 -10.028
   47    HD3  PRO   7           1HD      PRO   7   5.428   1.335  -8.903
   48    H    ASN   8           H        ASN   8   6.125  -2.941  -8.963
   49    HA   ASN   8           HA       ASN   8   4.796  -5.424  -8.278
   50    HB2  ASN   8           2HB      ASN   8   6.190  -4.772 -10.456
   51    HB3  ASN   8           1HB      ASN   8   7.499  -5.464  -9.499
   52   HD21  ASN   8          1HD2      ASN   8   7.822  -7.356 -10.508
   53   HD22  ASN   8          2HD2      ASN   8   6.615  -8.578 -10.726
   54    H    THR   9           H        THR   9   5.856  -3.802  -6.092
   55    HA   THR   9           HA       THR   9   8.058  -5.270  -4.990
   56    HB   THR   9           HB       THR   9   6.725  -4.205  -2.829
   57    HG1  THR   9           1HG      THR   9   6.408  -2.348  -4.970
   58   HG21  THR   9          3HG2      THR   9   8.607  -2.989  -2.636
   59   HG22  THR   9          1HG2      THR   9   8.397  -2.250  -4.222
   60   HG23  THR   9          2HG2      THR   9   9.135  -3.846  -4.086
   61    H    CYS  10           H        CYS  10   4.563  -5.233  -4.562
   62    HA   CYS  10           HA       CYS  10   4.676  -8.046  -3.747
   63    HB2  CYS  10           2HB      CYS  10   3.392  -5.758  -2.342
   64    HB3  CYS  10           1HB      CYS  10   2.485  -7.266  -2.403
   65    H    SER  11           H        SER  11   3.025  -9.329  -4.573
   66    HA   SER  11           HA       SER  11   0.867  -8.234  -6.108
   67    HB2  SER  11           2HB      SER  11   2.220  -9.743  -8.089
   68    HB3  SER  11           1HB      SER  11   1.871  -8.017  -8.113
   69    HG   SER  11           HG       SER  11   4.009  -7.985  -8.208
   70    H    ILE  12           H        ILE  12   1.781 -10.277  -4.066
   71    HA   ILE  12           HA       ILE  12   1.238 -12.835  -5.254
   72    HB   ILE  12           HB       ILE  12   1.084 -13.307  -2.580
   73   HG12  ILE  12          2HG1      ILE  12   2.889 -10.904  -2.929
   74   HG13  ILE  12          1HG1      ILE  12   1.408 -10.965  -1.980
   75   HG21  ILE  12          1HG2      ILE  12   2.565 -14.375  -4.255
   76   HG22  ILE  12          2HG2      ILE  12   3.663 -13.002  -4.116
   77   HG23  ILE  12          3HG2      ILE  12   3.375 -14.045  -2.723
   78   HD11  ILE  12          3HD1      ILE  12   2.482 -12.667  -0.532
   79   HD12  ILE  12          1HD1      ILE  12   3.980 -12.417  -1.426
   80   HD13  ILE  12          2HD1      ILE  12   3.272 -11.091  -0.503
   81    H    ASP  13           H        ASP  13  -0.221 -11.642  -2.291
   82    HA   ASP  13           HA       ASP  13  -2.738 -12.868  -3.134
   83    HB2  ASP  13           2HB      ASP  13  -1.323 -13.287  -0.920
   84    HB3  ASP  13           1HB      ASP  13  -2.280 -11.922  -0.357
   85    H    ASP  14           H        ASP  14  -2.592 -10.610  -4.436
   86    HA   ASP  14           HA       ASP  14  -3.455  -8.545  -4.831
   87    HB2  ASP  14           2HB      ASP  14  -5.558  -9.702  -3.930
   88    HB3  ASP  14           1HB      ASP  14  -5.230  -8.878  -2.408
   89    H    TYR  15           H        TYR  15  -1.289  -9.051  -2.852
   90    HA   TYR  15           HA       TYR  15  -1.447  -6.864  -0.991
   91    HB2  TYR  15           2HB      TYR  15   0.565  -8.968  -1.676
   92    HB3  TYR  15           1HB      TYR  15   1.118  -7.527  -0.832
   93    HD1  TYR  15           2HD      TYR  15  -2.040  -9.489  -0.472
   94    HD2  TYR  15           1HD      TYR  15   1.562  -8.159   1.347
   95    HE1  TYR  15           2HE      TYR  15  -2.769 -10.458   1.663
   96    HE2  TYR  15           1HE      TYR  15   0.845  -9.130   3.486
   97    HH   TYR  15           HH       TYR  15  -1.499 -11.363   3.795
   98    H    LYS  16           H        LYS  16  -0.740  -4.831  -1.322
   99    HA   LYS  16           HA       LYS  16   0.809  -4.313  -3.774
  100    HB2  LYS  16           2HB      LYS  16  -1.349  -2.493  -2.698
  101    HB3  LYS  16           1HB      LYS  16  -0.506  -2.365  -4.236
  102    HG2  LYS  16           2HG      LYS  16  -1.724  -4.066  -5.199
  103    HG3  LYS  16           1HG      LYS  16  -2.118  -4.802  -3.645
  104    HD2  LYS  16           2HD      LYS  16  -3.199  -2.161  -3.732
  105    HD3  LYS  16           1HD      LYS  16  -3.689  -3.039  -5.184
  106    HE2  LYS  16           2HE      LYS  16  -3.889  -4.721  -2.858
  107    HE3  LYS  16           1HE      LYS  16  -4.795  -3.227  -2.620
  108    HZ1  LYS  16           3HZ      LYS  16  -5.109  -4.678  -5.154
  109    HZ2  LYS  16           1HZ      LYS  16  -6.226  -3.716  -4.315
  110    HZ3  LYS  16           2HZ      LYS  16  -5.881  -5.291  -3.773
  111    HA   PRO  17           HA       PRO  17   3.474  -1.824  -1.206
  112    HB2  PRO  17           2HB      PRO  17   4.152   0.172  -2.923
  113    HB3  PRO  17           1HB      PRO  17   4.816  -1.461  -3.039
  114    HG2  PRO  17           2HG      PRO  17   2.582  -0.212  -4.588
  115    HG3  PRO  17           1HG      PRO  17   3.905  -1.241  -5.167
  116    HD2  PRO  17           2HD      PRO  17   1.414  -2.198  -4.730
  117    HD3  PRO  17           1HD      PRO  17   2.866  -3.183  -4.461
  118    H    TYR  18           H        TYR  18   2.566  -0.720   0.410
  119    HA   TYR  18           HA       TYR  18   0.927   1.628  -0.275
  120    HB2  TYR  18           2HB      TYR  18   0.567  -0.505   1.785
  121    HB3  TYR  18           1HB      TYR  18  -0.028   1.116   2.128
  122    HD1  TYR  18           2HD      TYR  18  -1.855   2.068   0.818
  123    HD2  TYR  18           1HD      TYR  18  -0.481  -1.888   0.095
  124    HE1  TYR  18           2HE      TYR  18  -3.885   1.608  -0.478
  125    HE2  TYR  18           1HE      TYR  18  -2.507  -2.364  -1.215
  126    HH   TYR  18           HH       TYR  18  -5.232  -0.421  -1.151
  127    H    CYS  19           H        CYS  19   1.480   3.520   0.572
  128    HA   CYS  19           HA       CYS  19   3.910   3.713   2.127
  129    HB2  CYS  19           2HB      CYS  19   2.449   5.405   0.358
  130    HB3  CYS  19           1HB      CYS  19   2.569   6.230   1.907
  131    H    CYS  20           H        CYS  20   3.295   2.736   4.078
  132    HA   CYS  20           HA       CYS  20   0.943   3.570   5.475
  133    HB2  CYS  20           2HB      CYS  20   3.117   1.585   5.942
  134    HB3  CYS  20           1HB      CYS  20   2.100   2.064   7.298
  135    H    GLN  21           H        GLN  21   1.524   5.858   5.599
  136    HA   GLN  21           HA       GLN  21   3.462   6.651   7.575
  137    HB2  GLN  21           2HB      GLN  21   1.415   7.990   5.892
  138    HB3  GLN  21           1HB      GLN  21   1.808   8.782   7.414
  139    HG2  GLN  21           2HG      GLN  21   3.209   9.736   5.782
  140    HG3  GLN  21           1HG      GLN  21   4.222   8.656   6.735
  141   HE21  GLN  21          1HE2      GLN  21   2.112   8.453   3.879
  142   HE22  GLN  21          2HE2      GLN  21   3.235   7.551   2.920
  143    H    SER  22           H        SER  22   3.122   6.900   9.770
  144    HA   SER  22           HA       SER  22   0.423   6.454  10.799
  145    HB2  SER  22           2HB      SER  22   1.974   4.657  12.280
  146    HB3  SER  22           1HB      SER  22   0.754   4.251  11.073
  147    HG   SER  22           HG       SER  22   2.588   4.590   9.522
  148    H    MET  23           H        MET  23   0.596   6.190  13.300
  149    HA   MET  23           HA       MET  23   2.773   7.720  14.480
  150    HB2  MET  23           2HB      MET  23   0.784   8.754  15.957
  151    HB3  MET  23           1HB      MET  23   1.413   9.555  14.526
  152    HG2  MET  23           2HG      MET  23  -0.722   7.673  13.928
  153    HG3  MET  23           1HG      MET  23  -1.212   8.952  15.035
  154    HE1  MET  23           3HE      MET  23  -2.512   8.345  12.586
  155    HE2  MET  23           1HE      MET  23  -2.624   9.759  11.538
  156    HE3  MET  23           2HE      MET  23  -1.520   8.444  11.132
  157    H    SER  24           H        SER  24   2.345   7.641  17.023
  158    HA   SER  24           HA       SER  24   2.713   5.001  17.748
  159    HB2  SER  24           2HB      SER  24   1.665   6.595  19.940
  160    HB3  SER  24           1HB      SER  24   3.280   5.925  19.706
  161    HG   SER  24           HG       SER  24   3.903   7.867  19.245
  162    H    GLY  25           H        GLY  25  -0.089   6.887  18.920
  163    HA2  GLY  25           1HA      GLY  25  -1.514   4.381  19.336
  164    HA3  GLY  25           2HA      GLY  25  -2.003   5.967  19.914
  165    H    SER  26           H        SER  26  -1.483   4.297  16.808
  166    HA   SER  26           HA       SER  26  -4.206   4.862  16.042
  167    HB2  SER  26           2HB      SER  26  -1.903   6.058  14.478
  168    HB3  SER  26           1HB      SER  26  -3.577   6.011  13.929
  169    HG   SER  26           HG       SER  26  -3.416   7.039  16.427
  170    H    ALA  27           H        ALA  27  -4.614   2.743  15.734
  171    HA   ALA  27           HA       ALA  27  -2.876   1.052  14.177
  172    HB1  ALA  27           1HB      ALA  27  -4.771  -0.585  14.381
  173    HB2  ALA  27           2HB      ALA  27  -4.126   0.000  15.915
  174    HB3  ALA  27           3HB      ALA  27  -5.645   0.646  15.293
  175    H    SER  28           H        SER  28  -5.633   3.072  13.634
  176    HA   SER  28           HA       SER  28  -6.283   2.159  11.028
  177    HB2  SER  28           2HB      SER  28  -6.762   5.004  11.622
  178    HB3  SER  28           1HB      SER  28  -7.902   3.747  11.135
  179    HG   SER  28           HG       SER  28  -7.807   4.757  13.460
  180    H    LEU  29           H        LEU  29  -4.767   2.106   9.518
  181    HA   LEU  29           HA       LEU  29  -2.540   3.963   9.602
  182    HB2  LEU  29           2HB      LEU  29  -3.127   1.344   8.367
  183    HB3  LEU  29           1HB      LEU  29  -2.025   2.381   7.484
  184    HG   LEU  29           HG       LEU  29  -1.553   1.835  10.389
  185   HD11  LEU  29          1HD1      LEU  29  -0.777   0.057   8.082
  186   HD12  LEU  29          2HD1      LEU  29  -0.124  -0.061   9.716
  187   HD13  LEU  29          3HD1      LEU  29  -1.839  -0.358   9.427
  188   HD21  LEU  29          3HD2      LEU  29  -0.094   3.456   9.653
  189   HD22  LEU  29          1HD2      LEU  29   0.842   1.988   9.370
  190   HD23  LEU  29          2HD2      LEU  29   0.009   2.777   8.028
  191    H    GLY  30           H        GLY  30  -1.928   5.336   7.953
  192    HA2  GLY  30           1HA      GLY  30  -4.038   5.958   5.994
  193    HA3  GLY  30           2HA      GLY  30  -2.818   7.088   6.565
  194    H    CYS  31           H        CYS  31  -2.574   3.781   5.326
  195    HA   CYS  31           HA       CYS  31  -0.313   4.477   3.712
  196    HB2  CYS  31           2HB      CYS  31  -1.745   1.871   3.446
  197    HB3  CYS  31           1HB      CYS  31  -0.018   2.205   3.398
  198    H    VAL  32           H        VAL  32  -0.706   5.697   1.981
  199    HA   VAL  32           HA       VAL  32  -2.912   5.108   0.195
  200    HB   VAL  32           HB       VAL  32  -1.817   6.892  -1.247
  201   HG11  VAL  32          1HG1      VAL  32  -2.587   8.737   0.191
  202   HG12  VAL  32          2HG1      VAL  32  -3.720   7.386   0.162
  203   HG13  VAL  32          3HG1      VAL  32  -2.664   7.619   1.553
  204   HG21  VAL  32          3HG2      VAL  32   0.393   6.478   0.210
  205   HG22  VAL  32          1HG2      VAL  32   0.057   8.005  -0.608
  206   HG23  VAL  32          2HG2      VAL  32  -0.295   7.829   1.111
  207    H    VAL  33           H        VAL  33  -2.413   4.790  -2.167
  208    HA   VAL  33           HA       VAL  33  -0.810   2.481  -2.471
  209    HB   VAL  33           HB       VAL  33  -1.942   4.266  -4.636
  210   HG11  VAL  33          1HG1      VAL  33  -0.070   2.338  -4.985
  211   HG12  VAL  33          2HG1      VAL  33  -1.551   1.390  -5.138
  212   HG13  VAL  33          3HG1      VAL  33  -1.277   2.776  -6.194
  213   HG21  VAL  33          3HG2      VAL  33  -3.576   3.277  -2.973
  214   HG22  VAL  33          1HG2      VAL  33  -3.862   2.891  -4.670
  215   HG23  VAL  33          2HG2      VAL  33  -3.117   1.697  -3.606
  216    H    GLY  34           H        GLY  34   1.237   2.210  -3.135
  217    HA2  GLY  34           1HA      GLY  34   3.062   4.361  -3.151
  218    HA3  GLY  34           2HA      GLY  34   3.398   2.723  -3.692
  219    H    VAL  35           H        VAL  35   3.279   5.863  -4.640
  220    HA   VAL  35           HA       VAL  35   2.272   5.516  -7.306
  221    HB   VAL  35           HB       VAL  35   3.991   7.856  -6.696
  222   HG11  VAL  35          1HG1      VAL  35   1.622   8.793  -7.616
  223   HG12  VAL  35          2HG1      VAL  35   2.968   8.304  -8.645
  224   HG13  VAL  35          3HG1      VAL  35   1.648   7.180  -8.329
  225   HG21  VAL  35          3HG2      VAL  35   1.931   8.897  -5.533
  226   HG22  VAL  35          1HG2      VAL  35   1.478   7.227  -5.193
  227   HG23  VAL  35          2HG2      VAL  35   3.006   7.868  -4.591
  228    H    ILE  36           H        ILE  36   3.396   5.164  -9.144
  229    HA   ILE  36           HA       ILE  36   5.915   3.897  -8.971
  230    HB   ILE  36           HB       ILE  36   4.900   4.999 -11.566
  231   HG12  ILE  36          2HG1      ILE  36   3.813   2.402 -10.565
  232   HG13  ILE  36          1HG1      ILE  36   3.063   3.895 -10.009
  233   HG21  ILE  36          1HG2      ILE  36   6.998   3.409 -10.956
  234   HG22  ILE  36          2HG2      ILE  36   5.758   2.200 -11.290
  235   HG23  ILE  36          3HG2      ILE  36   6.168   3.404 -12.512
  236   HD11  ILE  36          3HD1      ILE  36   2.658   4.539 -12.341
  237   HD12  ILE  36          1HD1      ILE  36   3.377   3.019 -12.870
  238   HD13  ILE  36          2HD1      ILE  36   1.890   3.007 -11.924
  239    H    GLY  37           H        GLY  37   7.747   4.929  -8.537
  240    HA2  GLY  37           1HA      GLY  37   9.544   6.291  -9.374
  241    HA3  GLY  37           2HA      GLY  37   8.345   7.388 -10.046
  242    H    SER  38           H        SER  38   7.007   6.781  -7.242
  243    HA   SER  38           HA       SER  38   8.171   9.144  -6.014
  244    HB2  SER  38           2HB      SER  38   5.687   7.531  -5.427
  245    HB3  SER  38           1HB      SER  38   6.223   8.866  -4.409
  246    HG   SER  38           HG       SER  38   5.774   9.119  -7.207
  247    H    GLN  39           H        GLN  39   8.294   9.039  -3.527
  248    HA   GLN  39           HA       GLN  39   9.542   6.499  -2.718
  249    HB2  GLN  39           2HB      GLN  39  10.504   9.324  -2.382
  250    HB3  GLN  39           1HB      GLN  39  10.966   8.094  -1.214
  251    HG2  GLN  39           2HG      GLN  39  12.702   7.769  -2.586
  252    HG3  GLN  39           1HG      GLN  39  11.551   6.834  -3.535
  253   HE21  GLN  39          1HE2      GLN  39  10.990   7.527  -5.524
  254   HE22  GLN  39          2HE2      GLN  39  11.590   8.973  -6.258
  255    H    CYS  40           H        CYS  40   9.043   5.766  -0.702
  256    HA   CYS  40           HA       CYS  40   6.747   6.907   0.586
  257    HB2  CYS  40           2HB      CYS  40   7.844   4.384   0.473
  258    HB3  CYS  40           1HB      CYS  40   8.236   4.896   2.111
  259    H    GLY  41           H        GLY  41   6.633   7.846   2.628
  260    HA2  GLY  41           1HA      GLY  41   9.038   9.276   3.394
  261    HA3  GLY  41           2HA      GLY  41   7.419   9.531   4.034
  262    H    ALA  42           H        ALA  42   6.682   7.176   5.041
  263    HA   ALA  42           HA       ALA  42   8.529   6.854   7.269
  264    HB1  ALA  42           1HB      ALA  42   6.650   6.689   8.433
  265    HB2  ALA  42           2HB      ALA  42   5.704   6.728   6.947
  266    HB3  ALA  42           3HB      ALA  42   6.269   5.187   7.589
  267    H    SER  43           H        SER  43   6.451   4.280   6.114
  268    HA   SER  43           HA       SER  43   8.755   2.761   5.169
  269    HB2  SER  43           2HB      SER  43   7.071   1.061   6.800
  270    HB3  SER  43           1HB      SER  43   8.813   1.320   6.892
  271    HG   SER  43           HG       SER  43   8.395   3.190   8.136
  272    H    VAL  44           H        VAL  44   8.282   1.409   3.515
  273    HA   VAL  44           HA       VAL  44   5.609   1.432   2.425
  274    HB   VAL  44           HB       VAL  44   7.661  -0.429   1.336
  275   HG11  VAL  44          1HG1      VAL  44   6.749   0.884  -0.766
  276   HG12  VAL  44          2HG1      VAL  44   5.838  -0.431  -0.025
  277   HG13  VAL  44          3HG1      VAL  44   5.424   1.246   0.340
  278   HG21  VAL  44          3HG2      VAL  44   9.261   1.070   1.012
  279   HG22  VAL  44          1HG2      VAL  44   8.127   2.115   0.159
  280   HG23  VAL  44          2HG2      VAL  44   8.326   2.269   1.905
  281    H    LYS  45           H        LYS  45   4.080  -0.035   2.818
  282    HA   LYS  45           HA       LYS  45   4.912  -2.619   3.973
  283    HB2  LYS  45           2HB      LYS  45   2.541  -0.868   4.577
  284    HB3  LYS  45           1HB      LYS  45   2.506  -2.590   4.926
  285    HG2  LYS  45           2HG      LYS  45   4.904  -1.312   5.947
  286    HG3  LYS  45           1HG      LYS  45   3.425  -0.600   6.593
  287    HD2  LYS  45           2HD      LYS  45   3.013  -2.380   7.868
  288    HD3  LYS  45           1HD      LYS  45   3.302  -3.496   6.532
  289    HE2  LYS  45           2HE      LYS  45   5.712  -3.307   6.903
  290    HE3  LYS  45           1HE      LYS  45   5.418  -2.197   8.240
  291    HZ1  LYS  45           3HZ      LYS  45   5.843  -4.471   8.984
  292    HZ2  LYS  45           1HZ      LYS  45   4.481  -5.016   8.131
  293    HZ3  LYS  45           2HZ      LYS  45   4.293  -3.946   9.436
  294    H    CYS  46           H        CYS  46   3.567  -4.444   3.429
  295    HA   CYS  46           HA       CYS  46   2.373  -4.174   0.757
  296    HB2  CYS  46           2HB      CYS  46   3.572  -6.491   2.260
  297    HB3  CYS  46           1HB      CYS  46   2.504  -6.763   0.887
  298    H    CYS  47           H        CYS  47   0.280  -3.622   1.055
  299    HA   CYS  47           HA       CYS  47  -1.234  -5.209   3.018
  300    HB2  CYS  47           2HB      CYS  47  -2.069  -2.465   2.107
  301    HB3  CYS  47           1HB      CYS  47  -2.570  -3.346   3.545
  302    H    LYS  48           H        LYS  48  -3.255  -5.938   2.515
  303    HA   LYS  48           HA       LYS  48  -3.878  -6.078  -0.344
  304    HB2  LYS  48           2HB      LYS  48  -3.816  -8.242   0.547
  305    HB3  LYS  48           1HB      LYS  48  -4.570  -7.750   2.055
  306    HG2  LYS  48           2HG      LYS  48  -6.695  -7.420   0.824
  307    HG3  LYS  48           1HG      LYS  48  -5.912  -8.055  -0.624
  308    HD2  LYS  48           2HD      LYS  48  -6.698 -10.035   0.092
  309    HD3  LYS  48           1HD      LYS  48  -5.323  -9.985   1.197
  310    HE2  LYS  48           2HE      LYS  48  -6.708  -9.983   2.931
  311    HE3  LYS  48           1HE      LYS  48  -7.431  -8.481   2.357
  312    HZ1  LYS  48           3HZ      LYS  48  -8.568 -11.040   2.432
  313    HZ2  LYS  48           1HZ      LYS  48  -8.441 -10.578   0.806
  314    HZ3  LYS  48           2HZ      LYS  48  -9.278  -9.590   1.905
  315    H    ASP  49           H        ASP  49  -5.760  -5.272  -1.178
  316    HA   ASP  49           HA       ASP  49  -7.138  -3.346   0.497
  317    HB2  ASP  49           2HB      ASP  49  -6.351  -2.830  -1.849
  318    HB3  ASP  49           1HB      ASP  49  -7.618  -3.904  -2.432
  319    H    ASP  50           H        ASP  50  -8.284  -4.737   1.851
  320    HA   ASP  50           HA       ASP  50 -10.171  -6.632   0.819
  321    HB2  ASP  50           2HB      ASP  50  -9.013  -6.155   3.287
  322    HB3  ASP  50           1HB      ASP  50 -10.679  -5.639   3.527
  323    H    VAL  51           H        VAL  51 -10.860  -3.905   2.961
  324    HA   VAL  51           HA       VAL  51 -12.950  -2.974   1.116
  325    HB   VAL  51           HB       VAL  51 -14.250  -2.390   3.302
  326   HG11  VAL  51          1HG1      VAL  51 -14.122  -5.223   2.273
  327   HG12  VAL  51          2HG1      VAL  51 -15.449  -4.524   3.202
  328   HG13  VAL  51          3HG1      VAL  51 -15.081  -3.907   1.590
  329   HG21  VAL  51          3HG2      VAL  51 -12.996  -2.979   5.103
  330   HG22  VAL  51          1HG2      VAL  51 -13.840  -4.509   4.867
  331   HG23  VAL  51          2HG2      VAL  51 -12.197  -4.304   4.256
  332    H    THR  52           H        THR  52 -10.300  -2.071   1.525
  333    HA   THR  52           HA       THR  52 -10.447   0.217   3.325
  334    HB   THR  52           HB       THR  52  -7.932   0.261   2.268
  335    HG1  THR  52           1HG      THR  52  -8.386  -1.684   1.063
  336   HG21  THR  52          3HG2      THR  52  -9.129  -0.277   4.713
  337   HG22  THR  52          1HG2      THR  52  -7.404  -0.071   4.413
  338   HG23  THR  52          2HG2      THR  52  -8.113  -1.686   4.410
  339    H    ASN  53           H        ASN  53 -10.858  -0.466   0.053
  340    HA   ASN  53           HA       ASN  53  -9.659   1.696  -1.236
  341    HB2  ASN  53           2HB      ASN  53 -10.828  -0.461  -2.162
  342    HB3  ASN  53           1HB      ASN  53 -12.246   0.581  -2.240
  343   HD21  ASN  53          1HD2      ASN  53  -9.114  -0.104  -3.502
  344   HD22  ASN  53          2HD2      ASN  53  -9.206   0.964  -4.871
  345    H    THR  54           H        THR  54 -12.652   1.548   0.548
  346    HA   THR  54           HA       THR  54 -13.763   3.939  -0.567
  347    HB   THR  54           HB       THR  54 -14.678   3.197   2.118
  348    HG1  THR  54           1HG      THR  54 -14.829   1.301  -0.028
  349   HG21  THR  54          3HG2      THR  54 -15.900   3.653  -0.587
  350   HG22  THR  54          1HG2      THR  54 -16.094   4.596   0.890
  351   HG23  THR  54          2HG2      THR  54 -16.848   3.009   0.752
  352    H    GLY  55           H        GLY  55 -11.853   5.325  -0.308
  353    HA2  GLY  55           1HA      GLY  55 -11.979   6.705   2.272
  354    HA3  GLY  55           2HA      GLY  55 -10.409   6.122   1.738
  355    H    ASN  56           H        ASN  56 -12.388   7.000  -0.824
  356    HA   ASN  56           HA       ASN  56 -12.551   8.749  -2.240
  357    HB2  ASN  56           2HB      ASN  56 -11.655  10.291   0.186
  358    HB3  ASN  56           1HB      ASN  56 -11.988  11.069  -1.356
  359   HD21  ASN  56          1HD2      ASN  56 -14.156  10.552  -2.296
  360   HD22  ASN  56          2HD2      ASN  56 -15.494  10.502  -1.194
  361    H    SER  57           H        SER  57  -9.754  10.124  -0.551
  362    HA   SER  57           HA       SER  57  -8.150   9.523  -2.953
  363    HB2  SER  57           2HB      SER  57  -7.246  11.795  -1.337
  364    HB3  SER  57           1HB      SER  57  -7.461  11.666  -3.082
  365    HG   SER  57           HG       SER  57  -9.497  12.122  -1.139
  366    H    GLY  58           H        GLY  58  -8.512   8.159  -0.253
  367    HA2  GLY  58           1HA      GLY  58  -5.719   7.511   0.080
  368    HA3  GLY  58           2HA      GLY  58  -6.445   8.298   1.478
  369    H    LEU  59           H        LEU  59  -5.445   5.758   1.725
  370    HA   LEU  59           HA       LEU  59  -7.892   4.132   1.900
  371    HB2  LEU  59           2HB      LEU  59  -5.077   3.358   1.203
  372    HB3  LEU  59           1HB      LEU  59  -6.177   2.184   1.899
  373    HG   LEU  59           HG       LEU  59  -7.667   3.253  -0.156
  374   HD11  LEU  59          1HD1      LEU  59  -6.323   3.364  -2.100
  375   HD12  LEU  59          2HD1      LEU  59  -5.558   4.408  -0.901
  376   HD13  LEU  59          3HD1      LEU  59  -4.894   2.808  -1.229
  377   HD21  LEU  59          3HD2      LEU  59  -6.158   0.964  -1.034
  378   HD22  LEU  59          1HD2      LEU  59  -6.644   0.789   0.652
  379   HD23  LEU  59          2HD2      LEU  59  -7.860   1.086  -0.589
  380    H    ILE  60           H        ILE  60  -8.537   4.032   3.930
  381    HA   ILE  60           HA       ILE  60  -6.653   4.347   6.106
  382    HB   ILE  60           HB       ILE  60  -9.594   3.743   6.384
  383   HG12  ILE  60          2HG1      ILE  60  -8.861   6.548   6.665
  384   HG13  ILE  60          1HG1      ILE  60  -8.561   5.951   5.037
  385   HG21  ILE  60          1HG2      ILE  60  -7.691   5.248   8.174
  386   HG22  ILE  60          2HG2      ILE  60  -9.369   4.836   8.527
  387   HG23  ILE  60          3HG2      ILE  60  -8.156   3.561   8.390
  388   HD11  ILE  60          3HD1      ILE  60 -11.161   5.209   6.173
  389   HD12  ILE  60          1HD1      ILE  60 -10.917   6.935   5.898
  390   HD13  ILE  60          2HD1      ILE  60 -10.743   5.795   4.563
  391    H    ILE  61           H        ILE  61  -5.415   2.496   5.953
  392    HA   ILE  61           HA       ILE  61  -6.424  -0.125   5.708
  393    HB   ILE  61           HB       ILE  61  -3.792   0.813   6.863
  394   HG12  ILE  61          2HG1      ILE  61  -4.215   1.516   4.522
  395   HG13  ILE  61          1HG1      ILE  61  -2.869   0.390   4.660
  396   HG21  ILE  61          1HG2      ILE  61  -4.119  -1.406   7.611
  397   HG22  ILE  61          2HG2      ILE  61  -4.732  -1.918   6.039
  398   HG23  ILE  61          3HG2      ILE  61  -3.030  -1.499   6.226
  399   HD11  ILE  61          3HD1      ILE  61  -3.919  -0.525   2.870
  400   HD12  ILE  61          1HD1      ILE  61  -4.794  -1.367   4.151
  401   HD13  ILE  61          2HD1      ILE  61  -5.511   0.044   3.375
  402    H    ASN  62           H        ASN  62  -7.259  -1.489   7.155
  403    HA   ASN  62           HA       ASN  62  -7.749  -0.479   9.833
  404    HB2  ASN  62           2HB      ASN  62  -9.299  -1.874   8.054
  405    HB3  ASN  62           1HB      ASN  62  -8.786  -3.143   9.160
  406   HD21  ASN  62          1HD2      ASN  62 -11.423  -1.906   8.698
  407   HD22  ASN  62          2HD2      ASN  62 -11.939  -1.337  10.250
  408    H    ALA  63           H        ALA  63  -5.118  -1.045   9.479
  409    HA   ALA  63           HA       ALA  63  -3.360  -1.972  10.548
  410    HB1  ALA  63           1HB      ALA  63  -4.014  -3.599  12.509
  411    HB2  ALA  63           2HB      ALA  63  -4.226  -1.854  12.652
  412    HB3  ALA  63           3HB      ALA  63  -5.606  -2.882  12.263
  413    H    ALA  64           H        ALA  64  -5.761  -4.621  10.512
  414    HA   ALA  64           HA       ALA  64  -3.660  -6.522   9.948
  415    HB1  ALA  64           1HB      ALA  64  -5.178  -8.180  10.499
  416    HB2  ALA  64           2HB      ALA  64  -5.711  -6.825  11.495
  417    HB3  ALA  64           3HB      ALA  64  -6.568  -7.216  10.003
  418    H    ASN  65           H        ASN  65  -3.608  -4.945   7.815
  419    HA   ASN  65           HA       ASN  65  -4.814  -6.643   5.724
  420    HB2  ASN  65           2HB      ASN  65  -4.374  -3.649   5.593
  421    HB3  ASN  65           1HB      ASN  65  -4.913  -4.649   4.249
  422   HD21  ASN  65          1HD2      ASN  65  -6.866  -6.096   4.954
  423   HD22  ASN  65          2HD2      ASN  65  -8.142  -5.244   5.753
  424    H    CYS  66           H        CYS  66  -2.009  -5.395   7.117
  425    HA   CYS  66           HA       CYS  66  -0.478  -5.712   4.627
  426    HB2  CYS  66           2HB      CYS  66   0.513  -4.270   7.079
  427    HB3  CYS  66           1HB      CYS  66   1.095  -4.144   5.423
  428    H    VAL  67           H        VAL  67  -0.259  -7.930   4.790
  429    HA   VAL  67           HA       VAL  67   0.708  -9.905   5.331
  430    HB   VAL  67           HB       VAL  67   3.023  -8.403   6.526
  431   HG11  VAL  67          1HG1      VAL  67   4.237 -10.199   5.165
  432   HG12  VAL  67          2HG1      VAL  67   3.358 -10.719   6.604
  433   HG13  VAL  67          3HG1      VAL  67   2.657 -10.964   5.004
  434   HG21  VAL  67          3HG2      VAL  67   2.988  -7.105   4.670
  435   HG22  VAL  67          1HG2      VAL  67   3.756  -8.519   3.949
  436   HG23  VAL  67          2HG2      VAL  67   2.024  -8.255   3.747
  437    H    ALA  68           H        ALA  68   2.596  -8.695   7.912
  438    HA   ALA  68           HA       ALA  68   0.791  -9.353  10.031
  439    HB1  ALA  68           1HB      ALA  68   1.464 -11.612   9.229
  440    HB2  ALA  68           2HB      ALA  68   3.142 -11.198   9.583
  441    HB3  ALA  68           3HB      ALA  68   1.959 -11.282  10.889
  Start of MODEL    7
    1    H1   SER   1           1H       SER   1  17.609   7.167   4.125
    2    H2   SER   1           2H       SER   1  16.871   8.634   3.711
    3    H3   SER   1           3H       SER   1  18.515   8.393   3.386
    4    HA   SER   1           HA       SER   1  17.298   8.186   1.364
    5    HB2  SER   1           2HB      SER   1  17.805   5.326   1.872
    6    HB3  SER   1           1HB      SER   1  18.516   6.401   0.668
    7    HG   SER   1           HG       SER   1  20.168   6.663   1.926
    8    H    ALA   2           H        ALA   2  15.280   8.090   0.643
    9    HA   ALA   2           HA       ALA   2  13.289   6.572   2.113
   10    HB1  ALA   2           1HB      ALA   2  12.055   8.329   1.535
   11    HB2  ALA   2           2HB      ALA   2  13.280   8.890   0.398
   12    HB3  ALA   2           3HB      ALA   2  12.066   7.718  -0.119
   13    H    THR   3           H        THR   3  11.800   5.144   1.028
   14    HA   THR   3           HA       THR   3  13.186   3.440  -0.873
   15    HB   THR   3           HB       THR   3  10.443   2.778   0.060
   16    HG1  THR   3           1HG      THR   3  12.713   3.037   1.758
   17   HG21  THR   3          3HG2      THR   3  12.028   0.638   0.573
   18   HG22  THR   3          1HG2      THR   3  12.917   1.401  -0.745
   19   HG23  THR   3          2HG2      THR   3  11.231   0.934  -0.974
   20    H    THR   4           H        THR   4  12.890   3.665  -2.992
   21    HA   THR   4           HA       THR   4  10.748   5.292  -4.027
   22    HB   THR   4           HB       THR   4  12.153   3.782  -6.056
   23    HG1  THR   4           1HG      THR   4  13.770   5.257  -4.208
   24   HG21  THR   4          3HG2      THR   4  11.031   6.225  -5.845
   25   HG22  THR   4          1HG2      THR   4  12.209   5.796  -7.086
   26   HG23  THR   4          2HG2      THR   4  12.729   6.646  -5.630
   27    H    ILE   5           H        ILE   5   8.796   4.582  -4.561
   28    HA   ILE   5           HA       ILE   5   8.266   1.747  -4.297
   29    HB   ILE   5           HB       ILE   5   6.374   4.071  -4.648
   30   HG12  ILE   5          2HG1      ILE   5   6.910   2.409  -2.180
   31   HG13  ILE   5          1HG1      ILE   5   7.712   3.945  -2.499
   32   HG21  ILE   5          1HG2      ILE   5   4.683   2.366  -3.823
   33   HG22  ILE   5          2HG2      ILE   5   5.254   2.181  -5.483
   34   HG23  ILE   5          3HG2      ILE   5   5.890   1.138  -4.206
   35   HD11  ILE   5          3HD1      ILE   5   5.654   5.123  -2.375
   36   HD12  ILE   5          1HD1      ILE   5   4.729   3.621  -2.328
   37   HD13  ILE   5          2HD1      ILE   5   5.755   4.071  -0.965
   38    H    GLY   6           H        GLY   6   8.086   0.402  -5.900
   39    HA2  GLY   6           1HA      GLY   6   6.907   1.353  -8.440
   40    HA3  GLY   6           2HA      GLY   6   7.997  -0.030  -8.320
   41    HA   PRO   7           HA       PRO   7   3.376  -0.872  -7.059
   42    HB2  PRO   7           2HB      PRO   7   1.978  -1.074  -9.353
   43    HB3  PRO   7           1HB      PRO   7   2.224   0.469  -8.525
   44    HG2  PRO   7           2HG      PRO   7   3.709  -0.677 -10.862
   45    HG3  PRO   7           1HG      PRO   7   3.073   0.965 -10.642
   46    HD2  PRO   7           2HD      PRO   7   5.673   0.356 -10.223
   47    HD3  PRO   7           1HD      PRO   7   4.820   1.597  -9.282
   48    H    ASN   8           H        ASN   8   5.582  -2.641  -7.498
   49    HA   ASN   8           HA       ASN   8   4.060  -5.050  -7.929
   50    HB2  ASN   8           2HB      ASN   8   5.254  -4.120 -10.183
   51    HB3  ASN   8           1HB      ASN   8   6.541  -5.130  -9.528
   52   HD21  ASN   8          1HD2      ASN   8   5.047  -5.568 -11.929
   53   HD22  ASN   8          2HD2      ASN   8   4.207  -7.074 -11.740
   54    H    THR   9           H        THR   9   5.675  -3.637  -5.841
   55    HA   THR   9           HA       THR   9   7.923  -5.291  -5.264
   56    HB   THR   9           HB       THR   9   6.765  -4.235  -2.860
   57    HG1  THR   9           1HG      THR   9   7.199  -2.034  -4.434
   58   HG21  THR   9          3HG2      THR   9   8.944  -3.824  -2.567
   59   HG22  THR   9          1HG2      THR   9   8.892  -2.604  -3.840
   60   HG23  THR   9          2HG2      THR   9   9.250  -4.283  -4.241
   61    H    CYS  10           H        CYS  10   4.724  -5.064  -3.752
   62    HA   CYS  10           HA       CYS  10   4.897  -7.827  -2.845
   63    HB2  CYS  10           2HB      CYS  10   2.379  -6.408  -2.374
   64    HB3  CYS  10           1HB      CYS  10   3.440  -7.215  -1.227
   65    H    SER  11           H        SER  11   3.667  -9.475  -3.689
   66    HA   SER  11           HA       SER  11   1.542  -9.094  -5.530
   67    HB2  SER  11           2HB      SER  11   4.270  -9.110  -6.605
   68    HB3  SER  11           1HB      SER  11   3.239 -10.341  -7.330
   69    HG   SER  11           HG       SER  11   3.320  -7.888  -8.053
   70    H    ILE  12           H        ILE  12   2.454 -10.689  -3.189
   71    HA   ILE  12           HA       ILE  12   2.575 -13.415  -4.117
   72    HB   ILE  12           HB       ILE  12   1.751 -13.480  -1.455
   73   HG12  ILE  12          2HG1      ILE  12   3.804 -11.281  -1.777
   74   HG13  ILE  12          1HG1      ILE  12   2.110 -11.001  -1.386
   75   HG21  ILE  12          1HG2      ILE  12   4.269 -13.852  -2.948
   76   HG22  ILE  12          2HG2      ILE  12   4.385 -13.743  -1.192
   77   HG23  ILE  12          3HG2      ILE  12   3.368 -14.979  -1.932
   78   HD11  ILE  12          3HD1      ILE  12   4.316 -11.880   0.312
   79   HD12  ILE  12          1HD1      ILE  12   2.820 -11.046   0.728
   80   HD13  ILE  12          2HD1      ILE  12   2.827 -12.798   0.528
   81    H    ASP  13           H        ASP  13   0.286 -11.835  -1.949
   82    HA   ASP  13           HA       ASP  13  -1.933 -13.158  -3.319
   83    HB2  ASP  13           2HB      ASP  13  -1.545 -13.037  -0.710
   84    HB3  ASP  13           1HB      ASP  13  -2.250 -11.435  -0.889
   85    H    ASP  14           H        ASP  14  -3.797 -11.019  -2.432
   86    HA   ASP  14           HA       ASP  14  -3.240  -9.050  -4.484
   87    HB2  ASP  14           2HB      ASP  14  -5.568  -9.977  -3.680
   88    HB3  ASP  14           1HB      ASP  14  -5.422  -8.726  -2.450
   89    H    TYR  15           H        TYR  15  -1.244  -9.178  -2.610
   90    HA   TYR  15           HA       TYR  15  -1.563  -7.048  -0.681
   91    HB2  TYR  15           2HB      TYR  15   0.537  -9.039  -1.374
   92    HB3  TYR  15           1HB      TYR  15   1.063  -7.554  -0.596
   93    HD1  TYR  15           1HD      TYR  15  -1.223  -7.081   1.250
   94    HD2  TYR  15           2HD      TYR  15   0.855 -10.661   0.271
   95    HE1  TYR  15           1HE      TYR  15  -1.815  -8.018   3.442
   96    HE2  TYR  15           2HE      TYR  15   0.271 -11.604   2.463
   97    HH   TYR  15           HH       TYR  15  -2.101 -10.451   4.394
   98    H    LYS  16           H        LYS  16  -1.518  -5.021  -1.372
   99    HA   LYS  16           HA       LYS  16   0.162  -4.370  -3.691
  100    HB2  LYS  16           2HB      LYS  16  -1.630  -2.270  -2.688
  101    HB3  LYS  16           1HB      LYS  16  -1.388  -2.854  -4.327
  102    HG2  LYS  16           2HG      LYS  16  -2.782  -4.771  -2.647
  103    HG3  LYS  16           1HG      LYS  16  -3.632  -3.230  -2.784
  104    HD2  LYS  16           2HD      LYS  16  -2.695  -3.881  -5.364
  105    HD3  LYS  16           1HD      LYS  16  -3.406  -5.350  -4.696
  106    HE2  LYS  16           2HE      LYS  16  -5.081  -3.120  -4.072
  107    HE3  LYS  16           1HE      LYS  16  -4.728  -3.115  -5.799
  108    HZ1  LYS  16           3HZ      LYS  16  -5.290  -5.747  -5.087
  109    HZ2  LYS  16           1HZ      LYS  16  -6.231  -4.703  -6.038
  110    HZ3  LYS  16           2HZ      LYS  16  -6.485  -4.785  -4.363
  111    HA   PRO  17           HA       PRO  17   3.024  -2.129  -1.105
  112    HB2  PRO  17           2HB      PRO  17   3.749  -0.224  -2.965
  113    HB3  PRO  17           1HB      PRO  17   4.439  -1.848  -2.883
  114    HG2  PRO  17           2HG      PRO  17   2.271  -0.796  -4.654
  115    HG3  PRO  17           1HG      PRO  17   3.611  -1.889  -5.050
  116    HD2  PRO  17           2HD      PRO  17   1.125  -2.817  -4.655
  117    HD3  PRO  17           1HD      PRO  17   2.549  -3.731  -4.119
  118    H    TYR  18           H        TYR  18   2.467  -0.713   0.411
  119    HA   TYR  18           HA       TYR  18   0.854   1.619  -0.353
  120    HB2  TYR  18           2HB      TYR  18   0.167  -0.523   1.592
  121    HB3  TYR  18           1HB      TYR  18  -0.205   1.131   2.066
  122    HD1  TYR  18           1HD      TYR  18  -1.792   2.467   0.735
  123    HD2  TYR  18           2HD      TYR  18  -1.081  -1.634  -0.119
  124    HE1  TYR  18           1HE      TYR  18  -3.835   2.406  -0.620
  125    HE2  TYR  18           2HE      TYR  18  -3.125  -1.710  -1.482
  126    HH   TYR  18           HH       TYR  18  -5.523   0.202  -1.342
  127    H    CYS  19           H        CYS  19   1.714   3.441   0.341
  128    HA   CYS  19           HA       CYS  19   3.934   3.349   2.217
  129    HB2  CYS  19           2HB      CYS  19   4.095   4.694   0.124
  130    HB3  CYS  19           1HB      CYS  19   2.783   5.712   0.709
  131    H    CYS  20           H        CYS  20   2.985   2.963   4.190
  132    HA   CYS  20           HA       CYS  20   0.815   4.532   5.182
  133    HB2  CYS  20           2HB      CYS  20   2.749   2.839   6.779
  134    HB3  CYS  20           1HB      CYS  20   1.120   3.331   7.240
  135    H    GLN  21           H        GLN  21   1.151   6.624   5.356
  136    HA   GLN  21           HA       GLN  21   3.608   7.566   6.684
  137    HB2  GLN  21           2HB      GLN  21   2.742   8.051   4.030
  138    HB3  GLN  21           1HB      GLN  21   2.547   9.556   4.917
  139    HG2  GLN  21           2HG      GLN  21   5.044   8.678   5.689
  140    HG3  GLN  21           1HG      GLN  21   4.956   8.235   3.985
  141   HE21  GLN  21          1HE2      GLN  21   6.303  10.425   5.714
  142   HE22  GLN  21          2HE2      GLN  21   6.034  11.859   4.783
  143    H    SER  22           H        SER  22   0.178   7.791   6.314
  144    HA   SER  22           HA       SER  22  -0.097  10.266   7.736
  145    HB2  SER  22           2HB      SER  22  -2.368   8.355   7.361
  146    HB3  SER  22           1HB      SER  22  -2.358  10.116   7.254
  147    HG   SER  22           HG       SER  22  -0.972   9.740   5.314
  148    H    MET  23           H        MET  23   1.281   9.423   9.511
  149    HA   MET  23           HA       MET  23  -0.464   8.362  11.627
  150    HB2  MET  23           2HB      MET  23   1.799   7.055  10.540
  151    HB3  MET  23           1HB      MET  23   2.276   7.646  12.125
  152    HG2  MET  23           2HG      MET  23   0.982   6.167  13.203
  153    HG3  MET  23           1HG      MET  23  -0.337   6.324  12.044
  154    HE1  MET  23           3HE      MET  23   1.427   4.343   9.061
  155    HE2  MET  23           1HE      MET  23  -0.252   4.626   9.521
  156    HE3  MET  23           2HE      MET  23   0.891   5.971   9.482
  157    H    SER  24           H        SER  24   0.380  11.047  10.774
  158    HA   SER  24           HA       SER  24   2.254  11.944  12.788
  159    HB2  SER  24           2HB      SER  24   0.927  14.091  11.414
  160    HB3  SER  24           1HB      SER  24   2.609  13.571  11.286
  161    HG   SER  24           HG       SER  24   1.975  13.103   9.313
  162    H    GLY  25           H        GLY  25  -1.170  12.393  11.993
  163    HA2  GLY  25           1HA      GLY  25  -1.582  13.416  14.741
  164    HA3  GLY  25           2HA      GLY  25  -2.542  13.929  13.359
  165    H    SER  26           H        SER  26  -1.765  10.692  13.174
  166    HA   SER  26           HA       SER  26  -4.118   9.770  14.620
  167    HB2  SER  26           2HB      SER  26  -3.863   8.692  11.871
  168    HB3  SER  26           1HB      SER  26  -5.313   9.075  12.800
  169    HG   SER  26           HG       SER  26  -5.153  11.186  12.202
  170    H    ALA  27           H        ALA  27  -4.022   7.530  15.122
  171    HA   ALA  27           HA       ALA  27  -1.375   6.328  14.731
  172    HB1  ALA  27           1HB      ALA  27  -2.679   6.565  17.014
  173    HB2  ALA  27           2HB      ALA  27  -3.437   5.069  16.470
  174    HB3  ALA  27           3HB      ALA  27  -1.686   5.149  16.669
  175    H    SER  28           H        SER  28  -3.987   6.473  13.004
  176    HA   SER  28           HA       SER  28  -4.600   3.697  12.548
  177    HB2  SER  28           2HB      SER  28  -5.500   5.620  10.532
  178    HB3  SER  28           1HB      SER  28  -6.445   4.521  11.543
  179    HG   SER  28           HG       SER  28  -6.164   6.037  13.274
  180    H    LEU  29           H        LEU  29  -4.395   2.726  10.384
  181    HA   LEU  29           HA       LEU  29  -1.730   3.120   9.374
  182    HB2  LEU  29           2HB      LEU  29  -3.817   1.076   9.208
  183    HB3  LEU  29           1HB      LEU  29  -2.946   1.293   7.705
  184    HG   LEU  29           HG       LEU  29  -2.189  -0.285   9.873
  185   HD11  LEU  29          1HD1      LEU  29  -0.625   0.700   7.498
  186   HD12  LEU  29          2HD1      LEU  29  -0.151  -0.652   8.528
  187   HD13  LEU  29          3HD1      LEU  29  -1.638  -0.742   7.585
  188   HD21  LEU  29          3HD2      LEU  29  -0.485   2.195   9.715
  189   HD22  LEU  29          1HD2      LEU  29  -1.339   1.565  11.123
  190   HD23  LEU  29          2HD2      LEU  29   0.034   0.682  10.460
  191    H    GLY  30           H        GLY  30  -2.106   5.323   8.589
  192    HA2  GLY  30           1HA      GLY  30  -3.768   5.670   6.253
  193    HA3  GLY  30           2HA      GLY  30  -2.670   6.860   6.941
  194    H    CYS  31           H        CYS  31  -2.951   4.107   4.814
  195    HA   CYS  31           HA       CYS  31  -0.215   4.571   3.856
  196    HB2  CYS  31           2HB      CYS  31  -1.862   2.122   3.274
  197    HB3  CYS  31           1HB      CYS  31  -0.110   2.309   3.220
  198    H    VAL  32           H        VAL  32  -0.132   5.756   2.060
  199    HA   VAL  32           HA       VAL  32  -2.368   5.885   0.240
  200    HB   VAL  32           HB       VAL  32  -0.172   7.003  -1.079
  201   HG11  VAL  32          1HG1      VAL  32  -1.506   8.810  -1.161
  202   HG12  VAL  32          2HG1      VAL  32  -2.695   7.719  -0.449
  203   HG13  VAL  32          3HG1      VAL  32  -1.782   8.822   0.582
  204   HG21  VAL  32          3HG2      VAL  32   0.046   7.362   1.886
  205   HG22  VAL  32          1HG2      VAL  32   1.316   7.098   0.690
  206   HG23  VAL  32          2HG2      VAL  32   0.521   8.668   0.797
  207    H    VAL  33           H        VAL  33  -2.255   5.305  -1.993
  208    HA   VAL  33           HA       VAL  33  -1.377   2.719  -2.496
  209    HB   VAL  33           HB       VAL  33  -2.384   4.956  -4.187
  210   HG11  VAL  33          1HG1      VAL  33  -1.074   2.502  -5.353
  211   HG12  VAL  33          2HG1      VAL  33  -2.111   3.613  -6.250
  212   HG13  VAL  33          3HG1      VAL  33  -0.580   4.179  -5.584
  213   HG21  VAL  33          3HG2      VAL  33  -3.935   3.458  -3.082
  214   HG22  VAL  33          1HG2      VAL  33  -4.037   3.254  -4.831
  215   HG23  VAL  33          2HG2      VAL  33  -3.173   2.067  -3.855
  216    H    GLY  34           H        GLY  34   0.457   1.840  -3.321
  217    HA2  GLY  34           1HA      GLY  34   2.876   3.283  -3.363
  218    HA3  GLY  34           2HA      GLY  34   2.629   1.673  -4.027
  219    H    VAL  35           H        VAL  35   2.563   5.081  -4.674
  220    HA   VAL  35           HA       VAL  35   1.894   4.801  -7.453
  221    HB   VAL  35           HB       VAL  35   2.865   7.158  -5.827
  222   HG11  VAL  35          1HG1      VAL  35   3.568   7.919  -7.842
  223   HG12  VAL  35          2HG1      VAL  35   2.481   6.862  -8.744
  224   HG13  VAL  35          3HG1      VAL  35   1.861   8.335  -7.999
  225   HG21  VAL  35          3HG2      VAL  35   0.721   7.580  -5.384
  226   HG22  VAL  35          1HG2      VAL  35   0.249   7.332  -7.066
  227   HG23  VAL  35          2HG2      VAL  35   0.378   5.954  -5.973
  228    H    ILE  36           H        ILE  36   3.240   4.769  -9.162
  229    HA   ILE  36           HA       ILE  36   5.890   3.876  -8.829
  230    HB   ILE  36           HB       ILE  36   5.123   5.146 -11.407
  231   HG12  ILE  36          2HG1      ILE  36   3.928   2.487 -10.633
  232   HG13  ILE  36          1HG1      ILE  36   3.051   3.994 -10.392
  233   HG21  ILE  36          1HG2      ILE  36   6.762   2.906 -10.424
  234   HG22  ILE  36          2HG2      ILE  36   5.946   2.640 -11.965
  235   HG23  ILE  36          3HG2      ILE  36   7.038   4.011 -11.771
  236   HD11  ILE  36          3HD1      ILE  36   2.275   3.208 -12.425
  237   HD12  ILE  36          1HD1      ILE  36   3.483   4.409 -12.881
  238   HD13  ILE  36          2HD1      ILE  36   3.876   2.691 -12.949
  239    H    GLY  37           H        GLY  37   7.452   5.115  -8.015
  240    HA2  GLY  37           1HA      GLY  37   9.111   6.792  -8.577
  241    HA3  GLY  37           2HA      GLY  37   7.809   7.794  -9.199
  242    H    SER  38           H        SER  38   6.501   6.555  -6.520
  243    HA   SER  38           HA       SER  38   6.970   8.945  -5.004
  244    HB2  SER  38           2HB      SER  38   5.347   6.453  -4.480
  245    HB3  SER  38           1HB      SER  38   5.477   7.769  -3.311
  246    HG   SER  38           HG       SER  38   4.827   9.104  -5.278
  247    H    GLN  39           H        GLN  39   8.435   9.265  -3.477
  248    HA   GLN  39           HA       GLN  39  10.110   7.028  -2.638
  249    HB2  GLN  39           2HB      GLN  39  10.436  10.001  -2.168
  250    HB3  GLN  39           1HB      GLN  39  11.602   8.760  -1.728
  251    HG2  GLN  39           2HG      GLN  39  11.368   8.204  -4.326
  252    HG3  GLN  39           1HG      GLN  39  10.968   9.924  -4.367
  253   HE21  GLN  39          1HE2      GLN  39  12.520  11.431  -3.648
  254   HE22  GLN  39          2HE2      GLN  39  14.204  11.026  -3.612
  255    H    CYS  40           H        CYS  40   8.947   5.943  -1.121
  256    HA   CYS  40           HA       CYS  40   7.461   7.281   0.938
  257    HB2  CYS  40           2HB      CYS  40   6.923   4.998  -0.058
  258    HB3  CYS  40           1HB      CYS  40   8.263   4.369   0.897
  259    H    GLY  41           H        GLY  41   8.316   8.155   2.685
  260    HA2  GLY  41           1HA      GLY  41  11.000   7.335   3.522
  261    HA3  GLY  41           2HA      GLY  41  10.166   8.804   4.009
  262    H    ALA  42           H        ALA  42   7.908   6.459   4.246
  263    HA   ALA  42           HA       ALA  42   8.566   6.024   7.079
  264    HB1  ALA  42           1HB      ALA  42   5.852   5.712   6.949
  265    HB2  ALA  42           2HB      ALA  42   6.688   7.183   7.445
  266    HB3  ALA  42           3HB      ALA  42   6.136   7.002   5.780
  267    H    SER  43           H        SER  43   5.859   4.387   6.752
  268    HA   SER  43           HA       SER  43   7.286   1.885   6.515
  269    HB2  SER  43           2HB      SER  43   4.428   2.499   7.298
  270    HB3  SER  43           1HB      SER  43   5.151   0.888   7.318
  271    HG   SER  43           HG       SER  43   6.774   1.850   8.755
  272    H    VAL  44           H        VAL  44   7.692   1.474   4.408
  273    HA   VAL  44           HA       VAL  44   5.628   1.574   2.395
  274    HB   VAL  44           HB       VAL  44   8.048  -0.077   1.924
  275   HG11  VAL  44          1HG1      VAL  44   7.951   0.852  -0.244
  276   HG12  VAL  44          2HG1      VAL  44   6.280   0.531   0.223
  277   HG13  VAL  44          3HG1      VAL  44   6.914   2.176   0.290
  278   HG21  VAL  44          3HG2      VAL  44   9.316   1.492   2.999
  279   HG22  VAL  44          1HG2      VAL  44   9.219   2.223   1.397
  280   HG23  VAL  44          2HG2      VAL  44   8.166   2.793   2.690
  281    H    LYS  45           H        LYS  45   4.028   0.265   3.357
  282    HA   LYS  45           HA       LYS  45   4.739  -2.448   4.125
  283    HB2  LYS  45           2HB      LYS  45   2.336  -0.698   4.515
  284    HB3  LYS  45           1HB      LYS  45   2.241  -2.427   4.804
  285    HG2  LYS  45           2HG      LYS  45   4.468  -1.782   6.208
  286    HG3  LYS  45           1HG      LYS  45   3.500  -0.317   6.387
  287    HD2  LYS  45           2HD      LYS  45   1.601  -2.141   6.835
  288    HD3  LYS  45           1HD      LYS  45   3.007  -3.057   7.381
  289    HE2  LYS  45           2HE      LYS  45   3.208  -0.415   8.398
  290    HE3  LYS  45           1HE      LYS  45   1.587  -1.018   8.732
  291    HZ1  LYS  45           3HZ      LYS  45   2.364  -2.436  10.245
  292    HZ2  LYS  45           1HZ      LYS  45   3.810  -1.551  10.194
  293    HZ3  LYS  45           2HZ      LYS  45   3.644  -2.955   9.256
  294    H    CYS  46           H        CYS  46   2.947  -4.074   3.663
  295    HA   CYS  46           HA       CYS  46   1.966  -3.828   0.903
  296    HB2  CYS  46           2HB      CYS  46   3.193  -6.274   2.210
  297    HB3  CYS  46           1HB      CYS  46   2.360  -6.289   0.659
  298    H    CYS  47           H        CYS  47  -0.177  -3.620   1.149
  299    HA   CYS  47           HA       CYS  47  -1.482  -5.273   3.216
  300    HB2  CYS  47           2HB      CYS  47  -2.096  -2.430   2.400
  301    HB3  CYS  47           1HB      CYS  47  -3.147  -3.405   3.422
  302    H    LYS  48           H        LYS  48  -3.550  -6.058   2.778
  303    HA   LYS  48           HA       LYS  48  -4.022  -6.501  -0.048
  304    HB2  LYS  48           2HB      LYS  48  -4.203  -8.125   2.118
  305    HB3  LYS  48           1HB      LYS  48  -5.886  -7.648   1.926
  306    HG2  LYS  48           2HG      LYS  48  -6.029  -8.596  -0.198
  307    HG3  LYS  48           1HG      LYS  48  -4.276  -8.674  -0.383
  308    HD2  LYS  48           2HD      LYS  48  -4.534 -10.823   0.207
  309    HD3  LYS  48           1HD      LYS  48  -4.648 -10.177   1.847
  310    HE2  LYS  48           2HE      LYS  48  -6.631 -11.198   1.937
  311    HE3  LYS  48           1HE      LYS  48  -7.208  -9.894   0.902
  312    HZ1  LYS  48           3HZ      LYS  48  -6.810 -12.668   0.292
  313    HZ2  LYS  48           1HZ      LYS  48  -6.097 -11.640  -0.850
  314    HZ3  LYS  48           2HZ      LYS  48  -7.756 -11.511  -0.504
  315    H    ASP  49           H        ASP  49  -4.917  -4.666  -0.879
  316    HA   ASP  49           HA       ASP  49  -7.470  -3.785   0.275
  317    HB2  ASP  49           2HB      ASP  49  -5.408  -2.243  -0.520
  318    HB3  ASP  49           1HB      ASP  49  -6.293  -2.341  -2.037
  319    H    ASP  50           H        ASP  50  -9.050  -5.042  -0.492
  320    HA   ASP  50           HA       ASP  50  -8.898  -6.486  -2.914
  321    HB2  ASP  50           2HB      ASP  50 -10.312  -7.032  -0.860
  322    HB3  ASP  50           1HB      ASP  50 -11.456  -5.830  -1.452
  323    H    VAL  51           H        VAL  51 -11.097  -3.828  -2.043
  324    HA   VAL  51           HA       VAL  51 -11.748  -3.411  -4.833
  325    HB   VAL  51           HB       VAL  51 -13.134  -1.477  -3.847
  326   HG11  VAL  51          1HG1      VAL  51 -14.929  -2.985  -3.219
  327   HG12  VAL  51          2HG1      VAL  51 -14.056  -3.623  -4.614
  328   HG13  VAL  51          3HG1      VAL  51 -13.774  -4.303  -3.012
  329   HG21  VAL  51          3HG2      VAL  51 -13.058  -2.923  -1.263
  330   HG22  VAL  51          1HG2      VAL  51 -11.720  -1.829  -1.616
  331   HG23  VAL  51          2HG2      VAL  51 -13.375  -1.221  -1.602
  332    H    THR  52           H        THR  52 -11.865  -0.991  -5.515
  333    HA   THR  52           HA       THR  52  -9.227   0.157  -4.956
  334    HB   THR  52           HB       THR  52 -10.580   1.243  -7.294
  335    HG1  THR  52           1HG      THR  52  -9.965  -1.558  -7.288
  336   HG21  THR  52          3HG2      THR  52  -8.352   1.674  -7.376
  337   HG22  THR  52          1HG2      THR  52  -8.321   0.125  -8.223
  338   HG23  THR  52          2HG2      THR  52  -7.927   0.201  -6.505
  339    H    ASN  53           H        ASN  53  -9.052   2.436  -4.805
  340    HA   ASN  53           HA       ASN  53  -9.639   4.553  -4.289
  341    HB2  ASN  53           2HB      ASN  53 -11.333   4.158  -6.186
  342    HB3  ASN  53           1HB      ASN  53 -12.520   3.943  -4.907
  343   HD21  ASN  53          1HD2      ASN  53 -10.008   6.201  -5.983
  344   HD22  ASN  53          2HD2      ASN  53 -10.876   7.640  -5.543
  345    H    THR  54           H        THR  54  -9.879   2.214  -2.417
  346    HA   THR  54           HA       THR  54 -11.920   2.890  -0.533
  347    HB   THR  54           HB       THR  54  -9.757   1.441   0.679
  348    HG1  THR  54           1HG      THR  54  -9.194   0.066  -0.848
  349   HG21  THR  54          3HG2      THR  54 -12.600   1.288   0.320
  350   HG22  THR  54          1HG2      THR  54 -11.595   0.520   1.548
  351   HG23  THR  54          2HG2      THR  54 -11.879  -0.289   0.007
  352    H    GLY  55           H        GLY  55 -11.429   5.203  -0.379
  353    HA2  GLY  55           1HA      GLY  55 -10.661   6.513   1.605
  354    HA3  GLY  55           2HA      GLY  55  -9.088   5.772   1.337
  355    H    ASN  56           H        ASN  56  -9.934   6.047  -1.648
  356    HA   ASN  56           HA       ASN  56  -9.524   7.433  -3.392
  357    HB2  ASN  56           2HB      ASN  56 -11.084   8.937  -1.583
  358    HB3  ASN  56           1HB      ASN  56  -9.817  10.019  -2.151
  359   HD21  ASN  56          1HD2      ASN  56 -12.850   9.336  -2.671
  360   HD22  ASN  56          2HD2      ASN  56 -12.968   9.545  -4.388
  361    H    SER  57           H        SER  57  -8.539  10.181  -1.600
  362    HA   SER  57           HA       SER  57  -5.815   9.836  -2.535
  363    HB2  SER  57           2HB      SER  57  -6.270  12.247  -1.012
  364    HB3  SER  57           1HB      SER  57  -5.888  12.071  -2.726
  365    HG   SER  57           HG       SER  57  -7.881  12.550  -3.134
  366    H    GLY  58           H        GLY  58  -7.552   9.230   0.279
  367    HA2  GLY  58           1HA      GLY  58  -5.054   9.050   1.827
  368    HA3  GLY  58           2HA      GLY  58  -6.481   9.799   2.538
  369    H    LEU  59           H        LEU  59  -5.100   6.810   1.353
  370    HA   LEU  59           HA       LEU  59  -7.442   5.265   1.997
  371    HB2  LEU  59           2HB      LEU  59  -4.685   4.397   1.128
  372    HB3  LEU  59           1HB      LEU  59  -6.066   3.329   1.296
  373    HG   LEU  59           HG       LEU  59  -7.021   5.273  -0.406
  374   HD11  LEU  59          1HD1      LEU  59  -4.798   4.783  -2.039
  375   HD12  LEU  59          2HD1      LEU  59  -5.330   6.329  -1.376
  376   HD13  LEU  59          3HD1      LEU  59  -4.152   5.354  -0.499
  377   HD21  LEU  59          3HD2      LEU  59  -5.892   3.181  -1.954
  378   HD22  LEU  59          1HD2      LEU  59  -6.425   2.497  -0.418
  379   HD23  LEU  59          2HD2      LEU  59  -7.564   3.385  -1.429
  380    H    ILE  60           H        ILE  60  -7.716   5.544   4.217
  381    HA   ILE  60           HA       ILE  60  -5.678   4.644   6.045
  382    HB   ILE  60           HB       ILE  60  -8.620   5.124   6.583
  383   HG12  ILE  60          2HG1      ILE  60  -6.346   6.990   7.252
  384   HG13  ILE  60          1HG1      ILE  60  -7.208   7.092   5.722
  385   HG21  ILE  60          1HG2      ILE  60  -7.235   5.575   8.915
  386   HG22  ILE  60          2HG2      ILE  60  -8.153   4.122   8.522
  387   HG23  ILE  60          3HG2      ILE  60  -6.415   4.173   8.230
  388   HD11  ILE  60          3HD1      ILE  60  -9.239   7.637   6.809
  389   HD12  ILE  60          1HD1      ILE  60  -8.564   7.256   8.394
  390   HD13  ILE  60          2HD1      ILE  60  -7.979   8.661   7.503
  391    H    ILE  61           H        ILE  61  -5.138   2.573   5.943
  392    HA   ILE  61           HA       ILE  61  -7.118   0.638   5.062
  393    HB   ILE  61           HB       ILE  61  -4.350   0.972   4.613
  394   HG12  ILE  61          2HG1      ILE  61  -5.975  -1.409   3.754
  395   HG13  ILE  61          1HG1      ILE  61  -6.300   0.206   3.132
  396   HG21  ILE  61          1HG2      ILE  61  -3.484  -0.364   6.235
  397   HG22  ILE  61          2HG2      ILE  61  -4.938  -1.356   6.354
  398   HG23  ILE  61          3HG2      ILE  61  -3.819  -1.587   5.009
  399   HD11  ILE  61          3HD1      ILE  61  -3.993   0.330   2.306
  400   HD12  ILE  61          1HD1      ILE  61  -3.726  -1.320   2.869
  401   HD13  ILE  61          2HD1      ILE  61  -4.904  -1.002   1.595
  402    H    ASN  62           H        ASN  62  -7.686  -1.189   6.162
  403    HA   ASN  62           HA       ASN  62  -7.624  -1.134   8.999
  404    HB2  ASN  62           2HB      ASN  62  -9.500  -2.215   8.077
  405    HB3  ASN  62           1HB      ASN  62  -8.523  -3.137   6.941
  406   HD21  ASN  62          1HD2      ASN  62  -8.823  -5.196   7.402
  407   HD22  ASN  62          2HD2      ASN  62  -8.727  -5.900   8.981
  408    H    ALA  63           H        ALA  63  -6.057  -1.815  10.325
  409    HA   ALA  63           HA       ALA  63  -3.623  -2.836   9.178
  410    HB1  ALA  63           1HB      ALA  63  -2.878  -2.699  11.638
  411    HB2  ALA  63           2HB      ALA  63  -3.255  -1.201  10.785
  412    HB3  ALA  63           3HB      ALA  63  -4.427  -1.898  11.905
  413    H    ALA  64           H        ALA  64  -5.822  -4.680   9.057
  414    HA   ALA  64           HA       ALA  64  -4.660  -6.862  10.654
  415    HB1  ALA  64           1HB      ALA  64  -7.291  -7.616  10.215
  416    HB2  ALA  64           2HB      ALA  64  -6.605  -7.037  11.732
  417    HB3  ALA  64           3HB      ALA  64  -7.398  -5.907  10.633
  418    H    ASN  65           H        ASN  65  -4.605  -5.740   7.746
  419    HA   ASN  65           HA       ASN  65  -4.778  -8.385   6.502
  420    HB2  ASN  65           2HB      ASN  65  -6.706  -6.441   6.044
  421    HB3  ASN  65           1HB      ASN  65  -5.614  -6.269   4.671
  422   HD21  ASN  65          1HD2      ASN  65  -8.404  -7.385   5.061
  423   HD22  ASN  65          2HD2      ASN  65  -8.343  -8.935   4.284
  424    H    CYS  66           H        CYS  66  -2.523  -6.977   7.436
  425    HA   CYS  66           HA       CYS  66  -1.101  -6.638   4.883
  426    HB2  CYS  66           2HB      CYS  66  -0.384  -5.112   7.391
  427    HB3  CYS  66           1HB      CYS  66   0.210  -4.848   5.755
  428    H    VAL  67           H        VAL  67   1.129  -7.320   4.938
  429    HA   VAL  67           HA       VAL  67   1.539  -9.623   6.577
  430    HB   VAL  67           HB       VAL  67   4.032  -8.999   5.504
  431   HG11  VAL  67          1HG1      VAL  67   2.266 -10.621   3.810
  432   HG12  VAL  67          2HG1      VAL  67   3.803 -11.030   4.573
  433   HG13  VAL  67          3HG1      VAL  67   2.313 -11.092   5.510
  434   HG21  VAL  67          3HG2      VAL  67   3.835  -7.760   3.669
  435   HG22  VAL  67          1HG2      VAL  67   2.535  -8.786   3.062
  436   HG23  VAL  67          2HG2      VAL  67   2.164  -7.427   4.122
  437    H    ALA  68           H        ALA  68   3.490  -6.646   6.268
  438    HA   ALA  68           HA       ALA  68   3.732  -6.418   9.125
  439    HB1  ALA  68           1HB      ALA  68   5.478  -7.970   8.986
  440    HB2  ALA  68           2HB      ALA  68   6.041  -7.343   7.437
  441    HB3  ALA  68           3HB      ALA  68   6.307  -6.415   8.913
  Start of MODEL    8
    1    H1   SER   1           1H       SER   1  15.932   5.350   5.803
    2    H2   SER   1           2H       SER   1  16.434   6.408   4.583
    3    H3   SER   1           3H       SER   1  15.473   5.069   4.194
    4    HA   SER   1           HA       SER   1  13.821   6.143   5.858
    5    HB2  SER   1           2HB      SER   1  14.625   8.748   4.863
    6    HB3  SER   1           1HB      SER   1  14.287   8.237   6.519
    7    HG   SER   1           HG       SER   1  16.567   8.940   5.763
    8    H    ALA   2           H        ALA   2  15.327   6.704   2.726
    9    HA   ALA   2           HA       ALA   2  12.656   7.100   1.554
   10    HB1  ALA   2           1HB      ALA   2  15.151   7.499  -0.023
   11    HB2  ALA   2           2HB      ALA   2  13.595   8.320  -0.147
   12    HB3  ALA   2           3HB      ALA   2  14.695   8.709   1.176
   13    H    THR   3           H        THR   3  11.939   5.799  -0.105
   14    HA   THR   3           HA       THR   3  13.639   3.624  -1.050
   15    HB   THR   3           HB       THR   3  11.101   2.453  -0.555
   16    HG1  THR   3           1HG      THR   3  11.742   4.279   1.323
   17   HG21  THR   3          3HG2      THR   3  12.858   0.972  -0.560
   18   HG22  THR   3          1HG2      THR   3  12.625   1.168   1.177
   19   HG23  THR   3          2HG2      THR   3  13.911   2.051   0.355
   20    H    THR   4           H        THR   4  13.348   3.383  -3.208
   21    HA   THR   4           HA       THR   4  11.269   4.852  -4.531
   22    HB   THR   4           HB       THR   4  12.831   2.831  -6.048
   23    HG1  THR   4           1HG      THR   4  14.683   4.238  -5.993
   24   HG21  THR   4          3HG2      THR   4  12.327   4.183  -7.757
   25   HG22  THR   4          1HG2      THR   4  12.933   5.603  -6.903
   26   HG23  THR   4          2HG2      THR   4  11.278   5.055  -6.640
   27    H    ILE   5           H        ILE   5   9.331   4.163  -5.089
   28    HA   ILE   5           HA       ILE   5   8.578   1.485  -4.256
   29    HB   ILE   5           HB       ILE   5   6.877   3.825  -5.115
   30   HG12  ILE   5          2HG1      ILE   5   6.853   2.802  -2.336
   31   HG13  ILE   5          1HG1      ILE   5   8.312   3.648  -2.839
   32   HG21  ILE   5          1HG2      ILE   5   5.225   2.237  -3.700
   33   HG22  ILE   5          2HG2      ILE   5   5.364   2.202  -5.459
   34   HG23  ILE   5          3HG2      ILE   5   6.243   1.027  -4.482
   35   HD11  ILE   5          3HD1      ILE   5   5.520   4.680  -2.636
   36   HD12  ILE   5          1HD1      ILE   5   7.003   5.310  -1.916
   37   HD13  ILE   5          2HD1      ILE   5   6.720   5.485  -3.650
   38    H    GLY   6           H        GLY   6   8.307  -0.135  -5.580
   39    HA2  GLY   6           1HA      GLY   6   7.401   0.399  -8.336
   40    HA3  GLY   6           2HA      GLY   6   8.273  -1.051  -7.837
   41    HA   PRO   7           HA       PRO   7   3.409  -1.006  -7.089
   42    HB2  PRO   7           2HB      PRO   7   2.516  -1.980  -9.495
   43    HB3  PRO   7           1HB      PRO   7   2.557  -0.263  -9.067
   44    HG2  PRO   7           2HG      PRO   7   4.541  -1.872 -10.647
   45    HG3  PRO   7           1HG      PRO   7   3.882  -0.260 -10.992
   46    HD2  PRO   7           2HD      PRO   7   6.303  -0.531  -9.926
   47    HD3  PRO   7           1HD      PRO   7   5.212   0.766  -9.382
   48    H    ASN   8           H        ASN   8   5.836  -3.152  -8.002
   49    HA   ASN   8           HA       ASN   8   4.086  -5.448  -7.438
   50    HB2  ASN   8           2HB      ASN   8   5.314  -5.110  -9.797
   51    HB3  ASN   8           1HB      ASN   8   6.614  -5.916  -8.922
   52   HD21  ASN   8          1HD2      ASN   8   6.573  -7.870  -9.892
   53   HD22  ASN   8          2HD2      ASN   8   5.204  -8.942  -9.868
   54    H    THR   9           H        THR   9   5.517  -3.856  -5.487
   55    HA   THR   9           HA       THR   9   7.868  -5.131  -4.606
   56    HB   THR   9           HB       THR   9   6.365  -4.221  -2.354
   57    HG1  THR   9           1HG      THR   9   6.370  -2.371  -4.534
   58   HG21  THR   9          3HG2      THR   9   8.866  -3.670  -3.739
   59   HG22  THR   9          1HG2      THR   9   8.498  -3.622  -2.016
   60   HG23  THR   9          2HG2      THR   9   8.156  -2.219  -3.029
   61    H    CYS  10           H        CYS  10   4.472  -5.791  -4.122
   62    HA   CYS  10           HA       CYS  10   5.184  -8.445  -3.125
   63    HB2  CYS  10           2HB      CYS  10   3.083  -6.606  -1.963
   64    HB3  CYS  10           1HB      CYS  10   3.183  -8.325  -1.602
   65    H    SER  11           H        SER  11   3.624 -10.093  -3.736
   66    HA   SER  11           HA       SER  11   1.701  -9.360  -5.771
   67    HB2  SER  11           2HB      SER  11   3.701 -11.307  -6.769
   68    HB3  SER  11           1HB      SER  11   2.841 -10.032  -7.632
   69    HG   SER  11           HG       SER  11   4.355  -8.599  -7.077
   70    H    ILE  12           H        ILE  12   2.115 -10.959  -3.172
   71    HA   ILE  12           HA       ILE  12   1.422 -13.656  -3.914
   72    HB   ILE  12           HB       ILE  12   0.868 -12.584  -1.182
   73   HG12  ILE  12          2HG1      ILE  12   3.616 -13.482  -1.437
   74   HG13  ILE  12          1HG1      ILE  12   3.309 -12.062  -2.430
   75   HG21  ILE  12          1HG2      ILE  12   0.370 -14.857  -1.451
   76   HG22  ILE  12          2HG2      ILE  12   1.871 -15.172  -2.325
   77   HG23  ILE  12          3HG2      ILE  12   1.913 -14.818  -0.597
   78   HD11  ILE  12          3HD1      ILE  12   2.243 -11.900   0.287
   79   HD12  ILE  12          1HD1      ILE  12   4.000 -11.994   0.176
   80   HD13  ILE  12          2HD1      ILE  12   3.130 -10.710  -0.665
   81    H    ASP  13           H        ASP  13  -0.288 -11.445  -1.772
   82    HA   ASP  13           HA       ASP  13  -2.831 -12.138  -3.002
   83    HB2  ASP  13           2HB      ASP  13  -2.239 -11.831  -0.432
   84    HB3  ASP  13           1HB      ASP  13  -2.539 -10.139  -0.796
   85    H    ASP  14           H        ASP  14  -4.152  -9.685  -2.584
   86    HA   ASP  14           HA       ASP  14  -3.071  -8.042  -4.698
   87    HB2  ASP  14           2HB      ASP  14  -5.563  -8.431  -4.173
   88    HB3  ASP  14           1HB      ASP  14  -5.340  -7.284  -2.855
   89    H    TYR  15           H        TYR  15  -1.241  -8.314  -2.731
   90    HA   TYR  15           HA       TYR  15  -1.414  -6.129  -0.843
   91    HB2  TYR  15           2HB      TYR  15   0.567  -8.356  -1.298
   92    HB3  TYR  15           1HB      TYR  15   0.894  -7.040  -0.177
   93    HD1  TYR  15           1HD      TYR  15  -2.083  -6.798   0.702
   94    HD2  TYR  15           2HD      TYR  15   0.608 -10.075   0.393
   95    HE1  TYR  15           1HE      TYR  15  -3.341  -7.986   2.440
   96    HE2  TYR  15           2HE      TYR  15  -0.646 -11.277   2.135
   97    HH   TYR  15           HH       TYR  15  -2.291 -10.391   4.184
   98    H    LYS  16           H        LYS  16  -1.469  -4.574  -2.683
   99    HA   LYS  16           HA       LYS  16   1.009  -4.130  -4.085
  100    HB2  LYS  16           2HB      LYS  16  -0.105  -2.209  -5.072
  101    HB3  LYS  16           1HB      LYS  16  -1.170  -3.606  -5.127
  102    HG2  LYS  16           2HG      LYS  16  -2.297  -2.735  -3.091
  103    HG3  LYS  16           1HG      LYS  16  -1.325  -1.271  -3.245
  104    HD2  LYS  16           2HD      LYS  16  -2.785  -0.459  -4.703
  105    HD3  LYS  16           1HD      LYS  16  -2.467  -1.824  -5.776
  106    HE2  LYS  16           2HE      LYS  16  -4.223  -3.096  -4.842
  107    HE3  LYS  16           1HE      LYS  16  -4.378  -2.005  -3.464
  108    HZ1  LYS  16           3HZ      LYS  16  -5.217  -1.571  -6.262
  109    HZ2  LYS  16           1HZ      LYS  16  -4.980  -0.267  -5.207
  110    HZ3  LYS  16           2HZ      LYS  16  -6.143  -1.439  -4.842
  111    HA   PRO  17           HA       PRO  17   3.122  -1.547  -1.245
  112    HB2  PRO  17           2HB      PRO  17   3.999   0.500  -2.850
  113    HB3  PRO  17           1HB      PRO  17   4.746  -1.101  -2.792
  114    HG2  PRO  17           2HG      PRO  17   2.743  -0.017  -4.737
  115    HG3  PRO  17           1HG      PRO  17   4.205  -0.966  -5.058
  116    HD2  PRO  17           2HD      PRO  17   1.796  -2.116  -5.058
  117    HD3  PRO  17           1HD      PRO  17   3.203  -2.962  -4.374
  118    H    TYR  18           H        TYR  18   2.343  -0.296   0.237
  119    HA   TYR  18           HA       TYR  18   0.715   2.029  -0.534
  120    HB2  TYR  18           2HB      TYR  18   0.188  -0.091   1.510
  121    HB3  TYR  18           1HB      TYR  18  -0.366   1.549   1.818
  122    HD1  TYR  18           2HD      TYR  18  -1.737   2.647  -0.149
  123    HD2  TYR  18           1HD      TYR  18  -1.195  -1.536   0.371
  124    HE1  TYR  18           2HE      TYR  18  -3.739   2.227  -1.512
  125    HE2  TYR  18           1HE      TYR  18  -3.190  -1.972  -0.991
  126    HH   TYR  18           HH       TYR  18  -5.497  -0.023  -1.558
  127    H    CYS  19           H        CYS  19   1.587   3.859   0.142
  128    HA   CYS  19           HA       CYS  19   3.689   3.875   2.126
  129    HB2  CYS  19           2HB      CYS  19   2.431   5.914   0.327
  130    HB3  CYS  19           1HB      CYS  19   3.332   6.466   1.735
  131    H    CYS  20           H        CYS  20   2.482   3.038   3.879
  132    HA   CYS  20           HA       CYS  20   0.172   4.413   4.863
  133    HB2  CYS  20           2HB      CYS  20   1.878   2.325   6.234
  134    HB3  CYS  20           1HB      CYS  20   0.243   2.803   6.683
  135    H    GLN  21           H        GLN  21   0.215   6.220   5.989
  136    HA   GLN  21           HA       GLN  21   2.560   7.354   7.061
  137    HB2  GLN  21           2HB      GLN  21  -0.186   8.098   6.776
  138    HB3  GLN  21           1HB      GLN  21   0.304   8.403   8.438
  139    HG2  GLN  21           2HG      GLN  21   1.853   9.373   6.050
  140    HG3  GLN  21           1HG      GLN  21   0.590  10.315   6.844
  141   HE21  GLN  21          1HE2      GLN  21   1.303  11.717   8.264
  142   HE22  GLN  21          2HE2      GLN  21   2.761  11.583   9.199
  143    H    SER  22           H        SER  22   3.143   7.688   9.238
  144    HA   SER  22           HA       SER  22   3.284   5.445  10.817
  145    HB2  SER  22           2HB      SER  22   3.309   7.985  12.308
  146    HB3  SER  22           1HB      SER  22   4.562   6.750  12.161
  147    HG   SER  22           HG       SER  22   4.014   8.953  10.494
  148    H    MET  23           H        MET  23   1.768   4.341  11.831
  149    HA   MET  23           HA       MET  23  -0.780   5.514  12.450
  150    HB2  MET  23           2HB      MET  23  -1.476   3.397  12.281
  151    HB3  MET  23           1HB      MET  23   0.178   2.919  11.949
  152    HG2  MET  23           2HG      MET  23   0.395   2.853  14.541
  153    HG3  MET  23           1HG      MET  23  -1.363   2.756  14.495
  154    HE1  MET  23           3HE      MET  23   1.567  -0.252  12.656
  155    HE2  MET  23           1HE      MET  23   1.759   1.500  12.768
  156    HE3  MET  23           2HE      MET  23   1.939   0.497  14.207
  157    H    SER  24           H        SER  24  -1.419   6.349  14.321
  158    HA   SER  24           HA       SER  24   0.281   5.926  16.678
  159    HB2  SER  24           2HB      SER  24  -0.884   8.512  16.836
  160    HB3  SER  24           1HB      SER  24   0.823   8.099  16.682
  161    HG   SER  24           HG       SER  24   0.214   7.870  14.319
  162    H    GLY  25           H        GLY  25  -1.070   4.531  17.727
  163    HA2  GLY  25           1HA      GLY  25  -2.722   4.235  19.370
  164    HA3  GLY  25           2HA      GLY  25  -3.495   5.721  18.833
  165    H    SER  26           H        SER  26  -3.954   5.348  16.231
  166    HA   SER  26           HA       SER  26  -6.148   3.572  16.153
  167    HB2  SER  26           2HB      SER  26  -5.240   4.249  13.516
  168    HB3  SER  26           1HB      SER  26  -6.636   4.877  14.395
  169    HG   SER  26           HG       SER  26  -5.513   6.584  15.035
  170    H    ALA  27           H        ALA  27  -6.418   1.657  14.931
  171    HA   ALA  27           HA       ALA  27  -3.970   0.093  14.637
  172    HB1  ALA  27           1HB      ALA  27  -5.358  -1.831  14.581
  173    HB2  ALA  27           2HB      ALA  27  -6.001  -0.781  15.845
  174    HB3  ALA  27           3HB      ALA  27  -6.798  -0.861  14.274
  175    H    SER  28           H        SER  28  -5.783   2.099  12.796
  176    HA   SER  28           HA       SER  28  -5.231   0.641  10.305
  177    HB2  SER  28           2HB      SER  28  -6.898   3.078  10.180
  178    HB3  SER  28           1HB      SER  28  -7.140   1.506   9.421
  179    HG   SER  28           HG       SER  28  -7.405   1.298  12.095
  180    H    LEU  29           H        LEU  29  -3.885   1.519   8.807
  181    HA   LEU  29           HA       LEU  29  -2.457   3.947   9.652
  182    HB2  LEU  29           2HB      LEU  29  -1.307   2.422   7.436
  183    HB3  LEU  29           1HB      LEU  29  -0.547   3.032   8.893
  184    HG   LEU  29           HG       LEU  29  -2.084   0.921   9.822
  185   HD11  LEU  29          1HD1      LEU  29  -2.416  -0.581   8.230
  186   HD12  LEU  29          2HD1      LEU  29  -1.759   0.542   7.039
  187   HD13  LEU  29          3HD1      LEU  29  -0.693  -0.599   7.859
  188   HD21  LEU  29          3HD2      LEU  29  -0.084   0.106  10.541
  189   HD22  LEU  29          1HD2      LEU  29   0.720   0.407   9.001
  190   HD23  LEU  29          2HD2      LEU  29   0.419   1.741  10.114
  191    H    GLY  30           H        GLY  30  -2.035   5.610   8.174
  192    HA2  GLY  30           1HA      GLY  30  -4.067   5.947   6.153
  193    HA3  GLY  30           2HA      GLY  30  -2.830   7.116   6.596
  194    H    CYS  31           H        CYS  31  -3.408   4.134   4.818
  195    HA   CYS  31           HA       CYS  31  -0.854   4.307   3.483
  196    HB2  CYS  31           2HB      CYS  31  -3.101   2.359   2.975
  197    HB3  CYS  31           1HB      CYS  31  -1.412   2.183   2.514
  198    H    VAL  32           H        VAL  32  -0.560   5.542   1.761
  199    HA   VAL  32           HA       VAL  32  -2.741   5.754  -0.209
  200    HB   VAL  32           HB       VAL  32  -0.669   7.383  -1.114
  201   HG11  VAL  32          1HG1      VAL  32  -2.600   8.871   0.432
  202   HG12  VAL  32          2HG1      VAL  32  -2.389   8.776  -1.317
  203   HG13  VAL  32          3HG1      VAL  32  -3.375   7.576  -0.480
  204   HG21  VAL  32          3HG2      VAL  32   0.144   7.004   1.368
  205   HG22  VAL  32          1HG2      VAL  32   0.265   8.583   0.597
  206   HG23  VAL  32          2HG2      VAL  32  -1.060   8.246   1.709
  207    H    VAL  33           H        VAL  33  -2.334   5.127  -2.377
  208    HA   VAL  33           HA       VAL  33  -0.722   2.862  -2.659
  209    HB   VAL  33           HB       VAL  33  -2.593   3.104  -4.116
  210   HG11  VAL  33          1HG1      VAL  33  -3.073   5.281  -4.533
  211   HG12  VAL  33          2HG1      VAL  33  -1.382   5.730  -4.757
  212   HG13  VAL  33          3HG1      VAL  33  -2.251   4.896  -6.046
  213   HG21  VAL  33          3HG2      VAL  33  -1.552   1.948  -5.705
  214   HG22  VAL  33          1HG2      VAL  33  -0.797   3.414  -6.330
  215   HG23  VAL  33          2HG2      VAL  33  -0.010   2.495  -5.047
  216    H    GLY  34           H        GLY  34   1.325   2.529  -3.199
  217    HA2  GLY  34           1HA      GLY  34   3.173   4.683  -3.263
  218    HA3  GLY  34           2HA      GLY  34   3.538   2.995  -3.600
  219    H    VAL  35           H        VAL  35   3.544   6.003  -4.896
  220    HA   VAL  35           HA       VAL  35   2.617   5.391  -7.545
  221    HB   VAL  35           HB       VAL  35   4.295   7.771  -6.754
  222   HG11  VAL  35          1HG1      VAL  35   4.129   7.841  -9.044
  223   HG12  VAL  35          2HG1      VAL  35   2.546   7.062  -9.062
  224   HG13  VAL  35          3HG1      VAL  35   2.691   8.752  -8.580
  225   HG21  VAL  35          3HG2      VAL  35   1.797   8.757  -6.712
  226   HG22  VAL  35          1HG2      VAL  35   1.489   7.133  -6.098
  227   HG23  VAL  35          2HG2      VAL  35   2.638   8.184  -5.272
  228    H    ILE  36           H        ILE  36   3.753   4.663  -9.201
  229    HA   ILE  36           HA       ILE  36   6.244   3.452  -8.926
  230    HB   ILE  36           HB       ILE  36   5.341   4.463 -11.600
  231   HG12  ILE  36          2HG1      ILE  36   4.102   1.972 -11.210
  232   HG13  ILE  36          1HG1      ILE  36   3.714   2.921  -9.779
  233   HG21  ILE  36          1HG2      ILE  36   6.439   2.645 -12.467
  234   HG22  ILE  36          2HG2      ILE  36   7.421   2.984 -11.041
  235   HG23  ILE  36          3HG2      ILE  36   6.230   1.684 -11.003
  236   HD11  ILE  36          3HD1      ILE  36   2.050   3.760 -10.989
  237   HD12  ILE  36          1HD1      ILE  36   3.286   4.693 -11.835
  238   HD13  ILE  36          2HD1      ILE  36   2.732   3.155 -12.498
  239    H    GLY  37           H        GLY  37   8.191   4.314  -8.713
  240    HA2  GLY  37           1HA      GLY  37  10.029   5.558  -9.531
  241    HA3  GLY  37           2HA      GLY  37   8.908   6.643 -10.338
  242    H    SER  38           H        SER  38   7.590   6.309  -7.397
  243    HA   SER  38           HA       SER  38   8.874   8.762  -6.443
  244    HB2  SER  38           2HB      SER  38   6.368   7.414  -5.405
  245    HB3  SER  38           1HB      SER  38   6.932   9.042  -5.019
  246    HG   SER  38           HG       SER  38   6.521   8.344  -7.704
  247    H    GLN  39           H        GLN  39   9.123   8.942  -4.005
  248    HA   GLN  39           HA       GLN  39  10.322   6.445  -3.001
  249    HB2  GLN  39           2HB      GLN  39  11.153   9.312  -2.523
  250    HB3  GLN  39           1HB      GLN  39  11.849   7.929  -1.691
  251    HG2  GLN  39           2HG      GLN  39  13.088   7.311  -3.465
  252    HG3  GLN  39           1HG      GLN  39  11.860   7.805  -4.632
  253   HE21  GLN  39          1HE2      GLN  39  13.249   8.918  -5.949
  254   HE22  GLN  39          2HE2      GLN  39  14.015  10.397  -5.476
  255    H    CYS  40           H        CYS  40   9.434   5.627  -1.230
  256    HA   CYS  40           HA       CYS  40   7.448   7.130   0.230
  257    HB2  CYS  40           2HB      CYS  40   7.575   4.534  -0.324
  258    HB3  CYS  40           1HB      CYS  40   8.449   4.493   1.204
  259    H    GLY  41           H        GLY  41   7.674   8.086   2.161
  260    HA2  GLY  41           1HA      GLY  41  10.297   7.847   3.496
  261    HA3  GLY  41           2HA      GLY  41   9.309   9.302   3.514
  262    H    ALA  42           H        ALA  42   7.277   6.718   3.745
  263    HA   ALA  42           HA       ALA  42   7.303   6.804   6.684
  264    HB1  ALA  42           1HB      ALA  42   5.217   7.572   6.656
  265    HB2  ALA  42           2HB      ALA  42   5.247   7.601   4.893
  266    HB3  ALA  42           3HB      ALA  42   4.699   6.155   5.743
  267    H    SER  43           H        SER  43   5.181   4.854   6.888
  268    HA   SER  43           HA       SER  43   6.789   2.490   6.643
  269    HB2  SER  43           2HB      SER  43   3.907   2.339   7.376
  270    HB3  SER  43           1HB      SER  43   5.295   1.537   8.106
  271    HG   SER  43           HG       SER  43   5.860   3.821   8.778
  272    H    VAL  44           H        VAL  44   7.051   2.112   4.442
  273    HA   VAL  44           HA       VAL  44   4.768   1.867   2.710
  274    HB   VAL  44           HB       VAL  44   6.704   2.573   1.583
  275   HG11  VAL  44          1HG1      VAL  44   8.160   0.299   2.908
  276   HG12  VAL  44          2HG1      VAL  44   8.830   1.258   1.587
  277   HG13  VAL  44          3HG1      VAL  44   8.423   2.031   3.120
  278   HG21  VAL  44          3HG2      VAL  44   7.240   0.700   0.003
  279   HG22  VAL  44          1HG2      VAL  44   6.248  -0.345   1.020
  280   HG23  VAL  44          2HG2      VAL  44   5.523   1.045   0.212
  281    H    LYS  45           H        LYS  45   3.427   0.258   2.902
  282    HA   LYS  45           HA       LYS  45   4.453  -2.381   3.724
  283    HB2  LYS  45           2HB      LYS  45   1.798  -1.070   4.341
  284    HB3  LYS  45           1HB      LYS  45   2.186  -2.743   4.718
  285    HG2  LYS  45           2HG      LYS  45   3.941  -0.555   5.737
  286    HG3  LYS  45           1HG      LYS  45   2.408  -0.910   6.540
  287    HD2  LYS  45           2HD      LYS  45   3.140  -3.297   6.692
  288    HD3  LYS  45           1HD      LYS  45   4.719  -2.787   6.088
  289    HE2  LYS  45           2HE      LYS  45   4.994  -1.307   7.984
  290    HE3  LYS  45           1HE      LYS  45   3.387  -1.732   8.574
  291    HZ1  LYS  45           3HZ      LYS  45   5.701  -3.573   8.304
  292    HZ2  LYS  45           1HZ      LYS  45   4.147  -4.032   8.809
  293    HZ3  LYS  45           2HZ      LYS  45   5.074  -2.967   9.756
  294    H    CYS  46           H        CYS  46   2.926  -4.172   3.087
  295    HA   CYS  46           HA       CYS  46   1.766  -3.663   0.427
  296    HB2  CYS  46           2HB      CYS  46   2.700  -6.309   1.564
  297    HB3  CYS  46           1HB      CYS  46   2.093  -6.027  -0.062
  298    H    CYS  47           H        CYS  47  -0.346  -3.290   0.746
  299    HA   CYS  47           HA       CYS  47  -1.801  -5.154   2.500
  300    HB2  CYS  47           2HB      CYS  47  -1.696  -2.239   2.566
  301    HB3  CYS  47           1HB      CYS  47  -3.343  -2.845   2.439
  302    H    LYS  48           H        LYS  48  -4.066  -5.473   1.925
  303    HA   LYS  48           HA       LYS  48  -4.338  -5.507  -0.984
  304    HB2  LYS  48           2HB      LYS  48  -5.949  -7.263  -0.691
  305    HB3  LYS  48           1HB      LYS  48  -4.539  -7.642   0.288
  306    HG2  LYS  48           2HG      LYS  48  -6.193  -6.226   2.002
  307    HG3  LYS  48           1HG      LYS  48  -7.291  -7.250   1.077
  308    HD2  LYS  48           2HD      LYS  48  -4.817  -8.236   2.490
  309    HD3  LYS  48           1HD      LYS  48  -6.450  -8.315   3.157
  310    HE2  LYS  48           2HE      LYS  48  -7.159  -9.845   1.518
  311    HE3  LYS  48           1HE      LYS  48  -5.764  -9.513   0.490
  312    HZ1  LYS  48           3HZ      LYS  48  -5.153 -11.490   1.423
  313    HZ2  LYS  48           1HZ      LYS  48  -5.951 -11.182   2.894
  314    HZ3  LYS  48           2HZ      LYS  48  -4.472 -10.424   2.555
  315    H    ASP  49           H        ASP  49  -6.355  -4.985  -1.975
  316    HA   ASP  49           HA       ASP  49  -7.553  -2.630  -0.840
  317    HB2  ASP  49           2HB      ASP  49  -7.135  -3.574  -3.410
  318    HB3  ASP  49           1HB      ASP  49  -8.876  -3.736  -3.198
  319    H    ASP  50           H        ASP  50  -8.304  -3.987   1.061
  320    HA   ASP  50           HA       ASP  50 -10.524  -5.748   0.695
  321    HB2  ASP  50           2HB      ASP  50  -8.804  -5.268   2.760
  322    HB3  ASP  50           1HB      ASP  50 -10.264  -4.464   3.332
  323    H    VAL  51           H        VAL  51 -10.168  -2.371   0.867
  324    HA   VAL  51           HA       VAL  51 -13.094  -2.067   0.986
  325    HB   VAL  51           HB       VAL  51 -11.948   0.464   1.429
  326   HG11  VAL  51          1HG1      VAL  51 -13.122  -1.330   3.538
  327   HG12  VAL  51          2HG1      VAL  51 -13.192   0.430   3.437
  328   HG13  VAL  51          3HG1      VAL  51 -14.087  -0.556   2.280
  329   HG21  VAL  51          3HG2      VAL  51 -10.914  -0.940   3.741
  330   HG22  VAL  51          1HG2      VAL  51 -10.073  -1.409   2.264
  331   HG23  VAL  51          2HG2      VAL  51 -10.150   0.288   2.733
  332    H    THR  52           H        THR  52 -12.731  -2.658  -1.329
  333    HA   THR  52           HA       THR  52 -11.308  -0.852  -3.030
  334    HB   THR  52           HB       THR  52 -13.212  -2.609  -4.368
  335    HG1  THR  52           1HG      THR  52 -11.231  -3.802  -2.677
  336   HG21  THR  52          3HG2      THR  52 -10.338  -3.145  -4.574
  337   HG22  THR  52          1HG2      THR  52 -10.787  -1.476  -4.922
  338   HG23  THR  52          2HG2      THR  52 -11.517  -2.794  -5.837
  339    H    ASN  53           H        ASN  53 -12.950   0.798  -1.788
  340    HA   ASN  53           HA       ASN  53 -14.998   1.438  -3.807
  341    HB2  ASN  53           2HB      ASN  53 -15.712   0.801  -1.346
  342    HB3  ASN  53           1HB      ASN  53 -15.236   2.463  -1.005
  343   HD21  ASN  53          1HD2      ASN  53 -17.503   2.705  -0.450
  344   HD22  ASN  53          2HD2      ASN  53 -18.641   3.040  -1.713
  345    H    THR  54           H        THR  54 -14.057   2.929  -5.024
  346    HA   THR  54           HA       THR  54 -11.949   4.594  -4.251
  347    HB   THR  54           HB       THR  54 -13.319   5.799  -6.425
  348    HG1  THR  54           1HG      THR  54 -12.998   3.094  -7.078
  349   HG21  THR  54          3HG2      THR  54 -11.390   5.145  -7.668
  350   HG22  THR  54          1HG2      THR  54 -11.035   3.834  -6.542
  351   HG23  THR  54          2HG2      THR  54 -10.847   5.511  -6.030
  352    H    GLY  55           H        GLY  55 -11.822   6.724  -3.667
  353    HA2  GLY  55           1HA      GLY  55 -14.163   8.408  -3.564
  354    HA3  GLY  55           2HA      GLY  55 -13.574   7.902  -1.984
  355    H    ASN  56           H        ASN  56 -13.196  10.177  -1.591
  356    HA   ASN  56           HA       ASN  56 -10.835  11.243  -2.998
  357    HB2  ASN  56           2HB      ASN  56 -13.226  12.474  -1.768
  358    HB3  ASN  56           1HB      ASN  56 -11.711  13.319  -1.469
  359   HD21  ASN  56          1HD2      ASN  56 -13.976  12.256  -3.894
  360   HD22  ASN  56          2HD2      ASN  56 -13.410  13.302  -5.157
  361    H    SER  57           H        SER  57 -11.139   9.261  -0.692
  362    HA   SER  57           HA       SER  57  -9.460  10.666   1.271
  363    HB2  SER  57           2HB      SER  57 -11.030   8.223   1.993
  364    HB3  SER  57           1HB      SER  57 -10.533   9.577   3.008
  365    HG   SER  57           HG       SER  57 -12.182  10.767   2.291
  366    H    GLY  58           H        GLY  58  -7.858   9.344   2.378
  367    HA2  GLY  58           1HA      GLY  58  -6.490   7.561   0.588
  368    HA3  GLY  58           2HA      GLY  58  -5.981   8.002   2.212
  369    H    LEU  59           H        LEU  59  -5.697   5.418   1.345
  370    HA   LEU  59           HA       LEU  59  -7.995   3.891   2.230
  371    HB2  LEU  59           2HB      LEU  59  -5.576   3.381   0.669
  372    HB3  LEU  59           1HB      LEU  59  -5.972   2.082   1.777
  373    HG   LEU  59           HG       LEU  59  -8.400   2.605   0.596
  374   HD11  LEU  59          1HD1      LEU  59  -6.197   3.258  -1.298
  375   HD12  LEU  59          2HD1      LEU  59  -7.619   2.401  -1.893
  376   HD13  LEU  59          3HD1      LEU  59  -7.798   3.981  -1.131
  377   HD21  LEU  59          3HD2      LEU  59  -8.223   0.462  -0.245
  378   HD22  LEU  59          1HD2      LEU  59  -6.508   0.635  -0.617
  379   HD23  LEU  59          2HD2      LEU  59  -7.032   0.440   1.057
  380    H    ILE  60           H        ILE  60  -8.098   4.358   4.407
  381    HA   ILE  60           HA       ILE  60  -5.854   3.886   6.152
  382    HB   ILE  60           HB       ILE  60  -8.517   3.950   7.394
  383   HG12  ILE  60          2HG1      ILE  60  -8.036   6.662   6.756
  384   HG13  ILE  60          1HG1      ILE  60  -7.958   5.775   5.236
  385   HG21  ILE  60          1HG2      ILE  60  -6.476   4.161   8.674
  386   HG22  ILE  60          2HG2      ILE  60  -6.011   5.586   7.744
  387   HG23  ILE  60          3HG2      ILE  60  -7.425   5.642   8.797
  388   HD11  ILE  60          3HD1      ILE  60 -10.184   4.708   6.316
  389   HD12  ILE  60          1HD1      ILE  60 -10.244   6.338   6.985
  390   HD13  ILE  60          2HD1      ILE  60 -10.174   6.102   5.238
  391    H    ILE  61           H        ILE  61  -5.461   1.687   5.418
  392    HA   ILE  61           HA       ILE  61  -7.423  -0.344   6.068
  393    HB   ILE  61           HB       ILE  61  -4.590  -0.931   5.262
  394   HG12  ILE  61          2HG1      ILE  61  -6.569  -0.716   3.086
  395   HG13  ILE  61          1HG1      ILE  61  -6.086   0.820   3.799
  396   HG21  ILE  61          1HG2      ILE  61  -5.378  -3.002   5.250
  397   HG22  ILE  61          2HG2      ILE  61  -7.004  -2.426   5.610
  398   HG23  ILE  61          3HG2      ILE  61  -6.463  -2.552   3.934
  399   HD11  ILE  61          3HD1      ILE  61  -4.764   0.126   1.814
  400   HD12  ILE  61          1HD1      ILE  61  -3.800   0.426   3.260
  401   HD13  ILE  61          2HD1      ILE  61  -4.150  -1.230   2.761
  402    H    ASN  62           H        ASN  62  -7.065  -2.044   7.566
  403    HA   ASN  62           HA       ASN  62  -5.856  -1.212  10.012
  404    HB2  ASN  62           2HB      ASN  62  -7.913  -2.718   9.693
  405    HB3  ASN  62           1HB      ASN  62  -6.768  -4.018   9.390
  406   HD21  ASN  62          1HD2      ASN  62  -8.491  -2.354  11.716
  407   HD22  ASN  62          2HD2      ASN  62  -7.662  -2.933  13.127
  408    H    ALA  63           H        ALA  63  -3.983  -1.872  10.973
  409    HA   ALA  63           HA       ALA  63  -1.825  -2.602   9.330
  410    HB1  ALA  63           1HB      ALA  63  -2.085  -2.653  12.330
  411    HB2  ALA  63           2HB      ALA  63  -0.567  -2.830  11.451
  412    HB3  ALA  63           3HB      ALA  63  -1.481  -1.324  11.339
  413    H    ALA  64           H        ALA  64  -4.095  -4.532  11.116
  414    HA   ALA  64           HA       ALA  64  -2.484  -6.918  11.096
  415    HB1  ALA  64           1HB      ALA  64  -5.223  -6.196  11.977
  416    HB2  ALA  64           2HB      ALA  64  -4.886  -7.894  11.639
  417    HB3  ALA  64           3HB      ALA  64  -3.935  -7.029  12.847
  418    H    ASN  65           H        ASN  65  -4.123  -5.277   8.721
  419    HA   ASN  65           HA       ASN  65  -4.982  -7.671   7.281
  420    HB2  ASN  65           2HB      ASN  65  -5.876  -4.970   7.361
  421    HB3  ASN  65           1HB      ASN  65  -5.326  -5.307   5.720
  422   HD21  ASN  65          1HD2      ASN  65  -6.121  -7.419   4.825
  423   HD22  ASN  65          2HD2      ASN  65  -7.775  -7.831   5.139
  424    H    CYS  66           H        CYS  66  -2.305  -5.661   7.543
  425    HA   CYS  66           HA       CYS  66  -1.371  -5.997   4.824
  426    HB2  CYS  66           2HB      CYS  66  -0.577  -4.444   7.184
  427    HB3  CYS  66           1HB      CYS  66   0.790  -5.106   6.292
  428    H    VAL  67           H        VAL  67   0.989  -6.839   4.615
  429    HA   VAL  67           HA       VAL  67   1.015  -9.562   5.259
  430    HB   VAL  67           HB       VAL  67   3.666  -9.070   4.854
  431   HG11  VAL  67          1HG1      VAL  67   1.475 -10.120   3.425
  432   HG12  VAL  67          2HG1      VAL  67   2.382  -9.100   2.307
  433   HG13  VAL  67          3HG1      VAL  67   3.195 -10.411   3.162
  434   HG21  VAL  67          3HG2      VAL  67   2.256  -6.637   4.157
  435   HG22  VAL  67          1HG2      VAL  67   3.990  -6.952   4.239
  436   HG23  VAL  67          2HG2      VAL  67   3.094  -7.328   2.767
  437    H    ALA  68           H        ALA  68   2.865  -6.896   6.720
  438    HA   ALA  68           HA       ALA  68   2.977  -8.324   9.230
  439    HB1  ALA  68           1HB      ALA  68   5.465  -8.085   9.370
  440    HB2  ALA  68           2HB      ALA  68   4.917  -9.269   8.185
  441    HB3  ALA  68           3HB      ALA  68   5.469  -7.679   7.654
  Start of MODEL    9
    1    H1   SER   1           1H       SER   1  15.792   7.941   4.219
    2    H2   SER   1           2H       SER   1  16.605   6.451   4.235
    3    H3   SER   1           3H       SER   1  16.146   7.183   5.689
    4    HA   SER   1           HA       SER   1  14.763   5.259   4.528
    5    HB2  SER   1           2HB      SER   1  13.011   7.222   5.806
    6    HB3  SER   1           1HB      SER   1  13.437   5.590   6.323
    7    HG   SER   1           HG       SER   1  14.469   8.018   7.099
    8    H    ALA   2           H        ALA   2  15.378   7.105   2.377
    9    HA   ALA   2           HA       ALA   2  12.717   7.935   1.462
   10    HB1  ALA   2           1HB      ALA   2  15.270   8.404  -0.043
   11    HB2  ALA   2           2HB      ALA   2  13.761   9.315  -0.105
   12    HB3  ALA   2           3HB      ALA   2  14.808   9.439   1.309
   13    H    THR   3           H        THR   3  12.307   5.544   1.437
   14    HA   THR   3           HA       THR   3  13.616   3.881  -0.455
   15    HB   THR   3           HB       THR   3  10.866   3.200   0.427
   16    HG1  THR   3           1HG      THR   3  11.272   3.446   2.496
   17   HG21  THR   3          3HG2      THR   3  13.375   1.875  -0.254
   18   HG22  THR   3          1HG2      THR   3  11.722   1.260  -0.314
   19   HG23  THR   3          2HG2      THR   3  12.624   1.222   1.201
   20    H    THR   4           H        THR   4  13.356   3.808  -2.577
   21    HA   THR   4           HA       THR   4  11.196   5.182  -3.896
   22    HB   THR   4           HB       THR   4  13.125   3.340  -5.290
   23    HG1  THR   4           1HG      THR   4  13.619   5.927  -4.190
   24   HG21  THR   4          3HG2      THR   4  12.850   5.730  -6.671
   25   HG22  THR   4          1HG2      THR   4  11.239   5.426  -6.023
   26   HG23  THR   4          2HG2      THR   4  12.026   4.214  -7.034
   27    H    ILE   5           H        ILE   5   9.429   4.309  -4.845
   28    HA   ILE   5           HA       ILE   5   8.812   1.577  -4.003
   29    HB   ILE   5           HB       ILE   5   6.986   3.808  -4.898
   30   HG12  ILE   5          2HG1      ILE   5   7.079   2.615  -2.147
   31   HG13  ILE   5          1HG1      ILE   5   8.230   3.869  -2.606
   32   HG21  ILE   5          1HG2      ILE   5   6.493   1.067  -4.938
   33   HG22  ILE   5          2HG2      ILE   5   5.703   1.654  -3.474
   34   HG23  ILE   5          3HG2      ILE   5   5.304   2.365  -5.038
   35   HD11  ILE   5          3HD1      ILE   5   6.565   5.467  -2.873
   36   HD12  ILE   5          1HD1      ILE   5   5.286   4.259  -2.976
   37   HD13  ILE   5          2HD1      ILE   5   6.075   4.577  -1.432
   38    H    GLY   6           H        GLY   6   8.452  -0.030  -5.351
   39    HA2  GLY   6           1HA      GLY   6   7.520   0.563  -8.081
   40    HA3  GLY   6           2HA      GLY   6   8.782  -0.640  -7.817
   41    HA   PRO   7           HA       PRO   7   4.153  -1.946  -6.636
   42    HB2  PRO   7           2HB      PRO   7   3.678  -2.442  -9.514
   43    HB3  PRO   7           1HB      PRO   7   2.588  -1.805  -8.278
   44    HG2  PRO   7           2HG      PRO   7   3.654  -0.192 -10.099
   45    HG3  PRO   7           1HG      PRO   7   3.467   0.332  -8.413
   46    HD2  PRO   7           2HD      PRO   7   5.929  -0.597  -9.851
   47    HD3  PRO   7           1HD      PRO   7   5.729   0.724  -8.678
   48    H    ASN   8           H        ASN   8   6.860  -3.204  -8.056
   49    HA   ASN   8           HA       ASN   8   5.853  -5.886  -8.493
   50    HB2  ASN   8           2HB      ASN   8   7.942  -6.401  -9.383
   51    HB3  ASN   8           1HB      ASN   8   7.779  -4.693  -9.778
   52   HD21  ASN   8          1HD2      ASN   8   9.770  -6.999  -8.500
   53   HD22  ASN   8          2HD2      ASN   8  10.881  -5.970  -7.658
   54    H    THR   9           H        THR   9   6.500  -4.146  -5.825
   55    HA   THR   9           HA       THR   9   8.106  -5.801  -4.215
   56    HB   THR   9           HB       THR   9   6.367  -4.540  -2.465
   57    HG1  THR   9           1HG      THR   9   6.828  -2.701  -4.580
   58   HG21  THR   9          3HG2      THR   9   8.783  -4.478  -2.285
   59   HG22  THR   9          1HG2      THR   9   8.166  -2.828  -2.296
   60   HG23  THR   9          2HG2      THR   9   8.900  -3.503  -3.750
   61    H    CYS  10           H        CYS  10   4.575  -5.407  -4.258
   62    HA   CYS  10           HA       CYS  10   4.277  -8.220  -3.483
   63    HB2  CYS  10           2HB      CYS  10   2.154  -6.924  -2.238
   64    HB3  CYS  10           1HB      CYS  10   3.583  -7.569  -1.438
   65    H    SER  11           H        SER  11   2.264  -9.162  -4.210
   66    HA   SER  11           HA       SER  11   0.356  -7.768  -5.743
   67    HB2  SER  11           2HB      SER  11   1.325  -9.145  -7.914
   68    HB3  SER  11           1HB      SER  11   1.564  -7.423  -7.632
   69    HG   SER  11           HG       SER  11   3.588  -7.780  -6.991
   70    H    ILE  12           H        ILE  12   0.990 -10.082  -3.859
   71    HA   ILE  12           HA       ILE  12   0.192 -12.437  -5.294
   72    HB   ILE  12           HB       ILE  12   0.040 -12.604  -2.379
   73   HG12  ILE  12          2HG1      ILE  12   2.849 -12.388  -3.184
   74   HG13  ILE  12          1HG1      ILE  12   1.983 -10.858  -3.257
   75   HG21  ILE  12          1HG2      ILE  12   0.808 -14.184  -4.636
   76   HG22  ILE  12          2HG2      ILE  12   2.082 -14.223  -3.418
   77   HG23  ILE  12          3HG2      ILE  12   0.437 -14.695  -2.990
   78   HD11  ILE  12          3HD1      ILE  12   3.197 -11.575  -1.081
   79   HD12  ILE  12          1HD1      ILE  12   1.613 -10.803  -1.000
   80   HD13  ILE  12          2HD1      ILE  12   1.750 -12.553  -0.822
   81    H    ASP  13           H        ASP  13  -1.146 -11.687  -2.171
   82    HA   ASP  13           HA       ASP  13  -3.799 -12.336  -3.123
   83    HB2  ASP  13           2HB      ASP  13  -2.373 -12.610  -0.735
   84    HB3  ASP  13           1HB      ASP  13  -3.661 -11.465  -0.379
   85    H    ASP  14           H        ASP  14  -3.669 -10.288  -4.498
   86    HA   ASP  14           HA       ASP  14  -4.286  -8.154  -4.973
   87    HB2  ASP  14           2HB      ASP  14  -6.274  -9.205  -3.389
   88    HB3  ASP  14           1HB      ASP  14  -5.885  -7.704  -2.557
   89    H    TYR  15           H        TYR  15  -1.963  -8.633  -3.256
   90    HA   TYR  15           HA       TYR  15  -1.868  -6.326  -1.496
   91    HB2  TYR  15           2HB      TYR  15   0.106  -8.521  -2.124
   92    HB3  TYR  15           1HB      TYR  15   0.536  -7.127  -1.151
   93    HD1  TYR  15           1HD      TYR  15  -1.110  -6.663   0.872
   94    HD2  TYR  15           2HD      TYR  15  -0.612 -10.423  -1.042
   95    HE1  TYR  15           1HE      TYR  15  -1.942  -7.790   2.890
   96    HE2  TYR  15           2HE      TYR  15  -1.449 -11.563   0.969
   97    HH   TYR  15           HH       TYR  15  -2.578 -11.235   2.935
   98    H    LYS  16           H        LYS  16  -0.526  -4.558  -1.788
   99    HA   LYS  16           HA       LYS  16   1.369  -4.454  -3.931
  100    HB2  LYS  16           2HB      LYS  16   0.407  -2.535  -5.104
  101    HB3  LYS  16           1HB      LYS  16  -0.671  -3.918  -5.183
  102    HG2  LYS  16           2HG      LYS  16  -2.126  -2.956  -3.538
  103    HG3  LYS  16           1HG      LYS  16  -0.992  -1.634  -3.249
  104    HD2  LYS  16           2HD      LYS  16  -1.427  -0.644  -5.311
  105    HD3  LYS  16           1HD      LYS  16  -2.095  -2.128  -5.990
  106    HE2  LYS  16           2HE      LYS  16  -3.356  -0.305  -3.950
  107    HE3  LYS  16           1HE      LYS  16  -3.902  -0.613  -5.595
  108    HZ1  LYS  16           3HZ      LYS  16  -4.260  -2.201  -3.195
  109    HZ2  LYS  16           1HZ      LYS  16  -3.939  -3.078  -4.611
  110    HZ3  LYS  16           2HZ      LYS  16  -5.275  -2.029  -4.540
  111    HA   PRO  17           HA       PRO  17   3.448  -1.678  -1.245
  112    HB2  PRO  17           2HB      PRO  17   4.116   0.464  -2.847
  113    HB3  PRO  17           1HB      PRO  17   5.002  -1.067  -2.805
  114    HG2  PRO  17           2HG      PRO  17   2.896  -0.148  -4.721
  115    HG3  PRO  17           1HG      PRO  17   4.415  -0.993  -5.059
  116    HD2  PRO  17           2HD      PRO  17   2.097  -2.312  -5.035
  117    HD3  PRO  17           1HD      PRO  17   3.564  -3.051  -4.354
  118    H    TYR  18           H        TYR  18   2.721  -0.379   0.275
  119    HA   TYR  18           HA       TYR  18   0.805   1.739  -0.431
  120    HB2  TYR  18           2HB      TYR  18   0.554  -0.481   1.539
  121    HB3  TYR  18           1HB      TYR  18  -0.097   1.087   1.993
  122    HD1  TYR  18           2HD      TYR  18  -1.798   2.162   0.388
  123    HD2  TYR  18           1HD      TYR  18  -0.676  -1.932   0.212
  124    HE1  TYR  18           2HE      TYR  18  -3.854   1.659  -0.857
  125    HE2  TYR  18           1HE      TYR  18  -2.727  -2.451  -1.035
  126    HH   TYR  18           HH       TYR  18  -5.303  -0.820  -1.109
  127    H    CYS  19           H        CYS  19   1.264   3.673   0.445
  128    HA   CYS  19           HA       CYS  19   3.525   3.859   2.292
  129    HB2  CYS  19           2HB      CYS  19   2.139   5.772   0.459
  130    HB3  CYS  19           1HB      CYS  19   3.025   6.412   1.836
  131    H    CYS  20           H        CYS  20   2.652   3.273   4.262
  132    HA   CYS  20           HA       CYS  20   0.261   4.574   5.233
  133    HB2  CYS  20           2HB      CYS  20   2.032   2.383   6.198
  134    HB3  CYS  20           1HB      CYS  20   1.084   3.264   7.394
  135    H    GLN  21           H        GLN  21   0.356   6.545   5.965
  136    HA   GLN  21           HA       GLN  21   2.866   7.682   6.841
  137    HB2  GLN  21           2HB      GLN  21   0.125   8.914   6.514
  138    HB3  GLN  21           1HB      GLN  21   1.591   9.804   6.905
  139    HG2  GLN  21           2HG      GLN  21   2.284   9.828   4.787
  140    HG3  GLN  21           1HG      GLN  21   1.848   8.139   4.528
  141   HE21  GLN  21          1HE2      GLN  21  -0.588   7.769   4.396
  142   HE22  GLN  21          2HE2      GLN  21  -1.483   8.915   3.451
  143    H    SER  22           H        SER  22   2.894   6.194   8.721
  144    HA   SER  22           HA       SER  22   1.145   6.651  10.918
  145    HB2  SER  22           2HB      SER  22   3.747   5.668  11.703
  146    HB3  SER  22           1HB      SER  22   2.198   4.822  11.703
  147    HG   SER  22           HG       SER  22   4.182   4.271  10.175
  148    H    MET  23           H        MET  23   1.045   8.559  11.896
  149    HA   MET  23           HA       MET  23   3.241  10.421  11.845
  150    HB2  MET  23           2HB      MET  23   0.998  10.999  13.668
  151    HB3  MET  23           1HB      MET  23   1.708  11.997  12.406
  152    HG2  MET  23           2HG      MET  23  -0.373  11.660  11.547
  153    HG3  MET  23           1HG      MET  23   0.487  10.304  10.822
  154    HE1  MET  23           3HE      MET  23  -1.921   9.861  10.308
  155    HE2  MET  23           1HE      MET  23  -1.688   8.159  10.709
  156    HE3  MET  23           2HE      MET  23  -3.062   9.040  11.375
  157    H    SER  24           H        SER  24   1.759   8.258  14.152
  158    HA   SER  24           HA       SER  24   4.089   8.245  15.796
  159    HB2  SER  24           2HB      SER  24   2.526   8.885  17.859
  160    HB3  SER  24           1HB      SER  24   3.394  10.118  16.944
  161    HG   SER  24           HG       SER  24   1.537  10.938  16.439
  162    H    GLY  25           H        GLY  25   1.324   7.734  17.662
  163    HA2  GLY  25           1HA      GLY  25   1.597   4.847  17.405
  164    HA3  GLY  25           2HA      GLY  25   0.652   5.708  18.615
  165    H    SER  26           H        SER  26   0.725   4.654  15.265
  166    HA   SER  26           HA       SER  26  -2.189   5.058  15.142
  167    HB2  SER  26           2HB      SER  26  -0.641   4.767  12.623
  168    HB3  SER  26           1HB      SER  26  -2.010   5.819  12.995
  169    HG   SER  26           HG       SER  26  -0.452   7.003  14.352
  170    H    ALA  27           H        ALA  27  -3.201   3.191  15.434
  171    HA   ALA  27           HA       ALA  27  -2.027   0.662  14.687
  172    HB1  ALA  27           1HB      ALA  27  -4.845   0.517  15.269
  173    HB2  ALA  27           2HB      ALA  27  -3.483  -0.168  16.155
  174    HB3  ALA  27           3HB      ALA  27  -4.006   1.486  16.481
  175    H    SER  28           H        SER  28  -4.943   2.467  13.732
  176    HA   SER  28           HA       SER  28  -5.110   1.004  11.234
  177    HB2  SER  28           2HB      SER  28  -6.698   3.452  12.018
  178    HB3  SER  28           1HB      SER  28  -7.142   2.187  10.870
  179    HG   SER  28           HG       SER  28  -6.991   0.756  12.830
  180    H    LEU  29           H        LEU  29  -3.448   1.485   9.936
  181    HA   LEU  29           HA       LEU  29  -2.253   4.113  10.000
  182    HB2  LEU  29           2HB      LEU  29  -1.148   2.382   7.985
  183    HB3  LEU  29           1HB      LEU  29  -0.393   3.052   9.418
  184    HG   LEU  29           HG       LEU  29  -2.031   0.942  10.323
  185   HD11  LEU  29          1HD1      LEU  29  -0.578  -0.812   8.889
  186   HD12  LEU  29          2HD1      LEU  29  -2.230  -0.345   8.487
  187   HD13  LEU  29          3HD1      LEU  29  -0.872   0.424   7.667
  188   HD21  LEU  29          3HD2      LEU  29   0.344  -0.107  10.599
  189   HD22  LEU  29          1HD2      LEU  29   0.890   1.485  10.074
  190   HD23  LEU  29          2HD2      LEU  29  -0.109   1.327  11.517
  191    H    GLY  30           H        GLY  30  -2.276   5.624   8.441
  192    HA2  GLY  30           1HA      GLY  30  -4.256   5.369   6.337
  193    HA3  GLY  30           2HA      GLY  30  -3.357   6.819   6.758
  194    H    CYS  31           H        CYS  31  -3.446   3.976   4.827
  195    HA   CYS  31           HA       CYS  31  -0.812   4.467   3.691
  196    HB2  CYS  31           2HB      CYS  31  -2.594   2.184   3.988
  197    HB3  CYS  31           1HB      CYS  31  -1.949   2.320   2.355
  198    H    VAL  32           H        VAL  32  -0.451   4.921   1.543
  199    HA   VAL  32           HA       VAL  32  -2.801   5.269  -0.201
  200    HB   VAL  32           HB       VAL  32  -1.162   6.963  -1.414
  201   HG11  VAL  32          1HG1      VAL  32  -2.169   8.643   0.522
  202   HG12  VAL  32          2HG1      VAL  32  -3.007   8.112  -0.937
  203   HG13  VAL  32          3HG1      VAL  32  -3.251   7.250   0.582
  204   HG21  VAL  32          3HG2      VAL  32   0.104   8.321   0.190
  205   HG22  VAL  32          1HG2      VAL  32  -0.295   7.172   1.465
  206   HG23  VAL  32          2HG2      VAL  32   0.710   6.667   0.108
  207    H    VAL  33           H        VAL  33  -2.142   5.085  -2.582
  208    HA   VAL  33           HA       VAL  33  -0.826   2.573  -2.869
  209    HB   VAL  33           HB       VAL  33  -1.670   4.519  -5.021
  210   HG11  VAL  33          1HG1      VAL  33  -1.289   2.896  -6.611
  211   HG12  VAL  33          2HG1      VAL  33   0.051   2.606  -5.503
  212   HG13  VAL  33          3HG1      VAL  33  -1.381   1.575  -5.447
  213   HG21  VAL  33          3HG2      VAL  33  -3.622   2.954  -5.242
  214   HG22  VAL  33          1HG2      VAL  33  -3.108   2.205  -3.729
  215   HG23  VAL  33          2HG2      VAL  33  -3.591   3.900  -3.753
  216    H    GLY  34           H        GLY  34   1.235   2.110  -3.231
  217    HA2  GLY  34           1HA      GLY  34   3.268   4.061  -3.280
  218    HA3  GLY  34           2HA      GLY  34   3.466   2.357  -3.674
  219    H    VAL  35           H        VAL  35   3.570   5.470  -4.875
  220    HA   VAL  35           HA       VAL  35   2.764   4.883  -7.572
  221    HB   VAL  35           HB       VAL  35   4.423   7.273  -7.215
  222   HG11  VAL  35          1HG1      VAL  35   2.717   8.298  -8.496
  223   HG12  VAL  35          2HG1      VAL  35   2.931   6.676  -9.155
  224   HG13  VAL  35          3HG1      VAL  35   1.557   7.027  -8.103
  225   HG21  VAL  35          3HG2      VAL  35   2.084   6.784  -5.423
  226   HG22  VAL  35          1HG2      VAL  35   3.611   7.599  -5.084
  227   HG23  VAL  35          2HG2      VAL  35   2.374   8.409  -6.047
  228    H    ILE  36           H        ILE  36   3.974   4.170  -9.175
  229    HA   ILE  36           HA       ILE  36   6.484   3.023  -8.790
  230    HB   ILE  36           HB       ILE  36   5.625   3.938 -11.519
  231   HG12  ILE  36          2HG1      ILE  36   4.446   1.507 -11.359
  232   HG13  ILE  36          1HG1      ILE  36   4.167   2.084  -9.719
  233   HG21  ILE  36          1HG2      ILE  36   7.312   1.809 -10.356
  234   HG22  ILE  36          2HG2      ILE  36   6.401   1.396 -11.808
  235   HG23  ILE  36          3HG2      ILE  36   7.529   2.753 -11.831
  236   HD11  ILE  36          3HD1      ILE  36   2.614   2.599 -11.935
  237   HD12  ILE  36          1HD1      ILE  36   2.557   3.462 -10.399
  238   HD13  ILE  36          2HD1      ILE  36   3.538   4.087 -11.724
  239    H    GLY  37           H        GLY  37   8.471   3.832  -8.721
  240    HA2  GLY  37           1HA      GLY  37  10.299   5.121  -9.311
  241    HA3  GLY  37           2HA      GLY  37   9.279   5.986 -10.452
  242    H    SER  38           H        SER  38   8.026   5.827  -7.287
  243    HA   SER  38           HA       SER  38   9.038   8.540  -6.743
  244    HB2  SER  38           2HB      SER  38   6.455   7.616  -5.566
  245    HB3  SER  38           1HB      SER  38   6.951   9.235  -6.063
  246    HG   SER  38           HG       SER  38   6.441   7.111  -7.874
  247    H    GLN  39           H        GLN  39   9.025   9.076  -4.356
  248    HA   GLN  39           HA       GLN  39  10.186   6.769  -2.967
  249    HB2  GLN  39           2HB      GLN  39  10.538   9.529  -1.926
  250    HB3  GLN  39           1HB      GLN  39  11.666   8.182  -1.934
  251    HG2  GLN  39           2HG      GLN  39  10.922   9.423  -4.522
  252    HG3  GLN  39           1HG      GLN  39  12.032  10.284  -3.459
  253   HE21  GLN  39          1HE2      GLN  39  13.124   9.731  -5.702
  254   HE22  GLN  39          2HE2      GLN  39  14.162   8.344  -5.647
  255    H    CYS  40           H        CYS  40   9.801   6.494  -0.711
  256    HA   CYS  40           HA       CYS  40   7.347   7.793   0.265
  257    HB2  CYS  40           2HB      CYS  40   7.256   5.259  -0.321
  258    HB3  CYS  40           1HB      CYS  40   8.176   5.050   1.167
  259    H    GLY  41           H        GLY  41   7.603   8.945   2.047
  260    HA2  GLY  41           1HA      GLY  41  10.098   8.668   3.558
  261    HA3  GLY  41           2HA      GLY  41   8.969  10.012   3.659
  262    H    ALA  42           H        ALA  42   7.317   7.118   3.669
  263    HA   ALA  42           HA       ALA  42   7.282   7.006   6.606
  264    HB1  ALA  42           1HB      ALA  42   5.086   7.458   4.724
  265    HB2  ALA  42           2HB      ALA  42   4.773   6.178   5.895
  266    HB3  ALA  42           3HB      ALA  42   5.187   7.801   6.450
  267    H    SER  43           H        SER  43   5.578   4.834   6.860
  268    HA   SER  43           HA       SER  43   7.362   2.689   6.290
  269    HB2  SER  43           2HB      SER  43   4.715   1.835   7.098
  270    HB3  SER  43           1HB      SER  43   6.240   1.719   7.977
  271    HG   SER  43           HG       SER  43   4.266   3.699   8.073
  272    H    VAL  44           H        VAL  44   7.499   1.627   4.433
  273    HA   VAL  44           HA       VAL  44   5.307   1.670   2.519
  274    HB   VAL  44           HB       VAL  44   7.914   0.178   2.227
  275   HG11  VAL  44          1HG1      VAL  44   5.624   0.293   0.648
  276   HG12  VAL  44          2HG1      VAL  44   6.780   1.357  -0.155
  277   HG13  VAL  44          3HG1      VAL  44   7.207  -0.322   0.176
  278   HG21  VAL  44          3HG2      VAL  44   8.929   2.074   1.247
  279   HG22  VAL  44          1HG2      VAL  44   7.412   2.974   1.241
  280   HG23  VAL  44          2HG2      VAL  44   8.226   2.629   2.768
  281    H    LYS  45           H        LYS  45   3.700   0.324   2.979
  282    HA   LYS  45           HA       LYS  45   4.322  -2.285   4.179
  283    HB2  LYS  45           2HB      LYS  45   1.587  -1.036   3.954
  284    HB3  LYS  45           1HB      LYS  45   2.106  -2.325   5.029
  285    HG2  LYS  45           2HG      LYS  45   3.687   0.009   5.506
  286    HG3  LYS  45           1HG      LYS  45   1.974   0.424   5.566
  287    HD2  LYS  45           2HD      LYS  45   2.121  -0.295   7.694
  288    HD3  LYS  45           1HD      LYS  45   1.988  -1.897   6.965
  289    HE2  LYS  45           2HE      LYS  45   4.631  -1.528   6.741
  290    HE3  LYS  45           1HE      LYS  45   4.320  -0.539   8.168
  291    HZ1  LYS  45           3HZ      LYS  45   2.936  -2.814   8.663
  292    HZ2  LYS  45           1HZ      LYS  45   4.467  -2.439   9.282
  293    HZ3  LYS  45           2HZ      LYS  45   4.322  -3.394   7.884
  294    H    CYS  46           H        CYS  46   2.984  -4.112   3.514
  295    HA   CYS  46           HA       CYS  46   2.201  -3.959   0.672
  296    HB2  CYS  46           2HB      CYS  46   3.523  -6.147   2.250
  297    HB3  CYS  46           1HB      CYS  46   2.520  -6.556   0.866
  298    H    CYS  47           H        CYS  47   0.071  -3.394   1.055
  299    HA   CYS  47           HA       CYS  47  -1.472  -5.197   2.797
  300    HB2  CYS  47           2HB      CYS  47  -2.100  -2.325   2.086
  301    HB3  CYS  47           1HB      CYS  47  -2.997  -3.345   3.208
  302    H    LYS  48           H        LYS  48  -3.764  -5.435   2.218
  303    HA   LYS  48           HA       LYS  48  -4.005  -6.121  -0.574
  304    HB2  LYS  48           2HB      LYS  48  -5.935  -6.366   1.741
  305    HB3  LYS  48           1HB      LYS  48  -6.262  -6.955   0.118
  306    HG2  LYS  48           2HG      LYS  48  -4.729  -8.678   0.298
  307    HG3  LYS  48           1HG      LYS  48  -3.836  -7.882   1.597
  308    HD2  LYS  48           2HD      LYS  48  -5.052  -9.700   2.556
  309    HD3  LYS  48           1HD      LYS  48  -5.839  -8.203   3.057
  310    HE2  LYS  48           2HE      LYS  48  -7.238  -8.685   0.838
  311    HE3  LYS  48           1HE      LYS  48  -6.792 -10.340   1.246
  312    HZ1  LYS  48           3HZ      LYS  48  -8.121  -8.452   3.119
  313    HZ2  LYS  48           1HZ      LYS  48  -7.809 -10.100   3.387
  314    HZ3  LYS  48           2HZ      LYS  48  -8.933  -9.627   2.204
  315    H    ASP  49           H        ASP  49  -6.041  -5.582  -1.740
  316    HA   ASP  49           HA       ASP  49  -6.854  -2.814  -1.362
  317    HB2  ASP  49           2HB      ASP  49  -6.540  -4.372  -3.616
  318    HB3  ASP  49           1HB      ASP  49  -8.287  -4.381  -3.394
  319    H    ASP  50           H        ASP  50  -7.513  -4.131   0.803
  320    HA   ASP  50           HA       ASP  50 -10.404  -4.513   0.645
  321    HB2  ASP  50           2HB      ASP  50 -10.144  -6.738   0.892
  322    HB3  ASP  50           1HB      ASP  50  -8.426  -6.576   1.223
  323    H    VAL  51           H        VAL  51 -11.364  -3.280   2.094
  324    HA   VAL  51           HA       VAL  51 -10.021  -2.619   4.593
  325    HB   VAL  51           HB       VAL  51 -10.909  -0.135   3.948
  326   HG11  VAL  51          1HG1      VAL  51  -8.332   0.045   3.138
  327   HG12  VAL  51          2HG1      VAL  51  -8.843  -0.041   4.824
  328   HG13  VAL  51          3HG1      VAL  51  -8.308  -1.501   3.987
  329   HG21  VAL  51          3HG2      VAL  51  -9.432  -0.561   1.480
  330   HG22  VAL  51          1HG2      VAL  51 -10.975  -1.415   1.500
  331   HG23  VAL  51          2HG2      VAL  51 -10.928   0.330   1.762
  332    H    THR  52           H        THR  52 -11.444  -2.962   6.115
  333    HA   THR  52           HA       THR  52 -14.288  -2.384   5.586
  334    HB   THR  52           HB       THR  52 -13.694  -3.960   7.979
  335    HG1  THR  52           1HG      THR  52 -13.072  -5.021   5.397
  336   HG21  THR  52          3HG2      THR  52 -15.685  -4.924   7.480
  337   HG22  THR  52          1HG2      THR  52 -15.302  -5.061   5.764
  338   HG23  THR  52          2HG2      THR  52 -15.865  -3.524   6.421
  339    H    ASN  53           H        ASN  53 -11.638  -1.093   7.071
  340    HA   ASN  53           HA       ASN  53 -13.257   0.126   9.209
  341    HB2  ASN  53           2HB      ASN  53 -11.395   0.137  10.681
  342    HB3  ASN  53           1HB      ASN  53 -11.479  -1.484  10.003
  343   HD21  ASN  53          1HD2      ASN  53  -9.503   1.131  10.631
  344   HD22  ASN  53          2HD2      ASN  53  -8.160   0.688   9.638
  345    H    THR  54           H        THR  54 -12.421   0.947   6.364
  346    HA   THR  54           HA       THR  54 -11.107   3.488   7.046
  347    HB   THR  54           HB       THR  54 -10.119   2.031   5.227
  348    HG1  THR  54           1HG      THR  54 -10.317   4.097   3.693
  349   HG21  THR  54          3HG2      THR  54 -11.400   1.287   3.573
  350   HG22  THR  54          1HG2      THR  54 -11.720   2.948   3.072
  351   HG23  THR  54          2HG2      THR  54 -12.784   2.157   4.238
  352    H    GLY  55           H        GLY  55 -11.920   5.428   5.793
  353    HA2  GLY  55           1HA      GLY  55 -14.459   5.480   4.600
  354    HA3  GLY  55           2HA      GLY  55 -14.661   5.818   6.312
  355    H    ASN  56           H        ASN  56 -12.232   6.775   3.886
  356    HA   ASN  56           HA       ASN  56 -13.085   9.473   3.824
  357    HB2  ASN  56           2HB      ASN  56 -11.157  10.526   4.936
  358    HB3  ASN  56           1HB      ASN  56 -12.122   9.578   6.058
  359   HD21  ASN  56          1HD2      ASN  56 -11.228   7.831   7.058
  360   HD22  ASN  56          2HD2      ASN  56  -9.553   7.417   6.922
  361    H    SER  57           H        SER  57 -10.428  10.577   3.357
  362    HA   SER  57           HA       SER  57 -10.381   9.938   0.568
  363    HB2  SER  57           2HB      SER  57  -8.245  11.663   1.212
  364    HB3  SER  57           1HB      SER  57  -9.821  12.106   0.554
  365    HG   SER  57           HG       SER  57  -9.042  13.015   2.716
  366    H    GLY  58           H        GLY  58  -8.602   8.883   3.307
  367    HA2  GLY  58           1HA      GLY  58  -6.460   7.844   1.558
  368    HA3  GLY  58           2HA      GLY  58  -6.299   8.109   3.291
  369    H    LEU  59           H        LEU  59  -5.638   5.674   2.109
  370    HA   LEU  59           HA       LEU  59  -7.869   3.883   2.606
  371    HB2  LEU  59           2HB      LEU  59  -5.276   3.715   1.264
  372    HB3  LEU  59           1HB      LEU  59  -5.651   2.297   2.225
  373    HG   LEU  59           HG       LEU  59  -7.946   3.027   0.651
  374   HD11  LEU  59          1HD1      LEU  59  -5.647   3.773  -0.650
  375   HD12  LEU  59          2HD1      LEU  59  -5.928   2.139  -1.251
  376   HD13  LEU  59          3HD1      LEU  59  -7.183   3.368  -1.419
  377   HD21  LEU  59          3HD2      LEU  59  -7.405   0.686  -0.288
  378   HD22  LEU  59          1HD2      LEU  59  -6.129   0.658   0.930
  379   HD23  LEU  59          2HD2      LEU  59  -7.813   0.831   1.424
  380    H    ILE  60           H        ILE  60  -8.273   3.976   4.762
  381    HA   ILE  60           HA       ILE  60  -6.159   3.732   6.706
  382    HB   ILE  60           HB       ILE  60  -9.140   3.536   7.171
  383   HG12  ILE  60          2HG1      ILE  60  -8.595   5.651   6.056
  384   HG13  ILE  60          1HG1      ILE  60  -9.062   5.926   7.731
  385   HG21  ILE  60          1HG2      ILE  60  -7.690   2.697   8.981
  386   HG22  ILE  60          2HG2      ILE  60  -6.917   4.279   9.065
  387   HG23  ILE  60          3HG2      ILE  60  -8.629   4.111   9.455
  388   HD11  ILE  60          3HD1      ILE  60  -7.233   7.188   7.847
  389   HD12  ILE  60          1HD1      ILE  60  -6.337   5.671   7.891
  390   HD13  ILE  60          2HD1      ILE  60  -6.570   6.511   6.359
  391    H    ILE  61           H        ILE  61  -5.159   1.820   6.679
  392    HA   ILE  61           HA       ILE  61  -6.789  -0.625   6.645
  393    HB   ILE  61           HB       ILE  61  -3.820  -0.318   6.145
  394   HG12  ILE  61          2HG1      ILE  61  -5.778  -1.084   4.022
  395   HG13  ILE  61          1HG1      ILE  61  -5.661   0.615   4.471
  396   HG21  ILE  61          1HG2      ILE  61  -5.123  -2.562   6.947
  397   HG22  ILE  61          2HG2      ILE  61  -5.247  -2.700   5.192
  398   HG23  ILE  61          3HG2      ILE  61  -3.664  -2.556   5.955
  399   HD11  ILE  61          3HD1      ILE  61  -4.007   0.756   3.009
  400   HD12  ILE  61          1HD1      ILE  61  -3.035  -0.183   4.144
  401   HD13  ILE  61          2HD1      ILE  61  -3.910  -0.997   2.846
  402    H    ASN  62           H        ASN  62  -6.745  -2.020   8.348
  403    HA   ASN  62           HA       ASN  62  -5.632  -0.929  10.802
  404    HB2  ASN  62           2HB      ASN  62  -8.031  -1.912  10.441
  405    HB3  ASN  62           1HB      ASN  62  -7.231  -3.460  10.698
  406   HD21  ASN  62          1HD2      ASN  62  -7.800  -4.075  12.656
  407   HD22  ASN  62          2HD2      ASN  62  -7.655  -3.136  14.100
  408    H    ALA  63           H        ALA  63  -3.782  -2.033   8.913
  409    HA   ALA  63           HA       ALA  63  -1.783  -3.082   9.010
  410    HB1  ALA  63           1HB      ALA  63  -1.206  -2.562  11.128
  411    HB2  ALA  63           2HB      ALA  63  -2.655  -3.282  11.830
  412    HB3  ALA  63           3HB      ALA  63  -1.320  -4.312  11.313
  413    H    ALA  64           H        ALA  64  -4.424  -5.052  10.310
  414    HA   ALA  64           HA       ALA  64  -3.232  -7.562   9.970
  415    HB1  ALA  64           1HB      ALA  64  -5.085  -8.219  10.988
  416    HB2  ALA  64           2HB      ALA  64  -5.698  -6.569  10.870
  417    HB3  ALA  64           3HB      ALA  64  -6.064  -7.740   9.602
  418    H    ASN  65           H        ASN  65  -4.764  -5.468   7.666
  419    HA   ASN  65           HA       ASN  65  -5.160  -7.567   5.705
  420    HB2  ASN  65           2HB      ASN  65  -5.356  -4.644   5.048
  421    HB3  ASN  65           1HB      ASN  65  -6.286  -5.991   4.407
  422   HD21  ASN  65          1HD2      ASN  65  -8.249  -6.339   5.202
  423   HD22  ASN  65          2HD2      ASN  65  -8.876  -5.627   6.655
  424    H    CYS  66           H        CYS  66  -2.437  -6.792   6.745
  425    HA   CYS  66           HA       CYS  66  -1.170  -6.483   4.113
  426    HB2  CYS  66           2HB      CYS  66   0.101  -5.297   6.559
  427    HB3  CYS  66           1HB      CYS  66   0.393  -4.914   4.868
  428    H    VAL  67           H        VAL  67   0.634  -7.749   3.761
  429    HA   VAL  67           HA       VAL  67   1.180  -9.821   5.733
  430    HB   VAL  67           HB       VAL  67   2.953 -10.445   3.856
  431   HG11  VAL  67          1HG1      VAL  67   1.320 -12.011   4.392
  432   HG12  VAL  67          2HG1      VAL  67   0.002 -10.952   3.893
  433   HG13  VAL  67          3HG1      VAL  67   1.042 -11.695   2.679
  434   HG21  VAL  67          3HG2      VAL  67   2.775  -9.448   1.870
  435   HG22  VAL  67          1HG2      VAL  67   1.014  -9.552   1.886
  436   HG23  VAL  67          2HG2      VAL  67   1.824  -8.210   2.694
  437    H    ALA  68           H        ALA  68   2.524  -6.887   4.583
  438    HA   ALA  68           HA       ALA  68   4.737  -7.171   6.472
  439    HB1  ALA  68           1HB      ALA  68   6.366  -6.398   4.966
  440    HB2  ALA  68           2HB      ALA  68   5.460  -7.601   4.048
  441    HB3  ALA  68           3HB      ALA  68   5.160  -5.882   3.786
  Start of MODEL   10
    1    H1   SER   1           1H       SER   1  16.886   7.129   4.399
    2    H2   SER   1           2H       SER   1  16.849   7.570   2.762
    3    H3   SER   1           3H       SER   1  18.244   6.862   3.421
    4    HA   SER   1           HA       SER   1  17.472   4.963   2.611
    5    HB2  SER   1           2HB      SER   1  15.281   4.384   4.254
    6    HB3  SER   1           1HB      SER   1  16.975   4.002   4.584
    7    HG   SER   1           HG       SER   1  15.343   5.903   5.708
    8    H    ALA   2           H        ALA   2  16.715   6.019   0.616
    9    HA   ALA   2           HA       ALA   2  13.843   6.465   0.435
   10    HB1  ALA   2           1HB      ALA   2  15.880   7.855  -0.623
   11    HB2  ALA   2           2HB      ALA   2  15.517   6.775  -1.971
   12    HB3  ALA   2           3HB      ALA   2  14.258   7.821  -1.315
   13    H    THR   3           H        THR   3  12.860   4.493   0.385
   14    HA   THR   3           HA       THR   3  13.672   2.447  -1.468
   15    HB   THR   3           HB       THR   3  10.948   2.628  -0.197
   16    HG1  THR   3           1HG      THR   3  13.312   1.603   1.037
   17   HG21  THR   3          3HG2      THR   3  10.826   0.676  -1.319
   18   HG22  THR   3          1HG2      THR   3  11.832   0.044  -0.015
   19   HG23  THR   3          2HG2      THR   3  12.574   0.577  -1.523
   20    H    THR   4           H        THR   4  13.401   2.700  -3.589
   21    HA   THR   4           HA       THR   4  11.534   4.608  -4.645
   22    HB   THR   4           HB       THR   4  12.573   2.875  -6.673
   23    HG1  THR   4           1HG      THR   4  14.472   2.383  -5.897
   24   HG21  THR   4          3HG2      THR   4  13.687   4.924  -7.413
   25   HG22  THR   4          1HG2      THR   4  13.326   5.686  -5.864
   26   HG23  THR   4          2HG2      THR   4  12.014   5.242  -6.955
   27    H    ILE   5           H        ILE   5   9.456   4.174  -4.872
   28    HA   ILE   5           HA       ILE   5   8.552   1.423  -4.759
   29    HB   ILE   5           HB       ILE   5   7.327   4.081  -4.276
   30   HG12  ILE   5          2HG1      ILE   5   8.246   2.080  -2.679
   31   HG13  ILE   5          1HG1      ILE   5   7.065   3.282  -2.172
   32   HG21  ILE   5          1HG2      ILE   5   5.642   3.444  -5.717
   33   HG22  ILE   5          2HG2      ILE   5   5.815   1.732  -5.334
   34   HG23  ILE   5          3HG2      ILE   5   5.057   2.823  -4.174
   35   HD11  ILE   5          3HD1      ILE   5   5.310   1.604  -3.024
   36   HD12  ILE   5          1HD1      ILE   5   6.630   0.433  -2.969
   37   HD13  ILE   5          2HD1      ILE   5   6.133   1.272  -1.499
   38    H    GLY   6           H        GLY   6   7.895   0.289  -6.408
   39    HA2  GLY   6           1HA      GLY   6   6.565   1.672  -8.651
   40    HA3  GLY   6           2HA      GLY   6   7.591   0.258  -8.901
   41    HA   PRO   7           HA       PRO   7   2.908  -0.687  -7.815
   42    HB2  PRO   7           2HB      PRO   7   3.098  -1.687 -10.617
   43    HB3  PRO   7           1HB      PRO   7   1.730  -0.953  -9.771
   44    HG2  PRO   7           2HG      PRO   7   3.156   0.437 -11.541
   45    HG3  PRO   7           1HG      PRO   7   2.526   1.195 -10.067
   46    HD2  PRO   7           2HD      PRO   7   5.308   0.390 -10.742
   47    HD3  PRO   7           1HD      PRO   7   4.724   1.722  -9.719
   48    H    ASN   8           H        ASN   8   5.643  -2.249  -9.302
   49    HA   ASN   8           HA       ASN   8   4.622  -4.922  -8.797
   50    HB2  ASN   8           2HB      ASN   8   6.665  -5.680  -9.951
   51    HB3  ASN   8           1HB      ASN   8   5.761  -4.516 -10.911
   52   HD21  ASN   8          1HD2      ASN   8   8.522  -5.234 -11.161
   53   HD22  ASN   8          2HD2      ASN   8   9.439  -3.781 -10.914
   54    H    THR   9           H        THR   9   5.207  -3.238  -6.494
   55    HA   THR   9           HA       THR   9   7.599  -4.330  -5.293
   56    HB   THR   9           HB       THR   9   6.110  -3.319  -3.212
   57    HG1  THR   9           1HG      THR   9   5.650  -1.570  -5.407
   58   HG21  THR   9          3HG2      THR   9   7.487  -1.133  -4.380
   59   HG22  THR   9          1HG2      THR   9   8.414  -2.591  -4.735
   60   HG23  THR   9          2HG2      THR   9   8.020  -2.180  -3.066
   61    H    CYS  10           H        CYS  10   4.241  -4.366  -4.158
   62    HA   CYS  10           HA       CYS  10   4.600  -7.075  -3.143
   63    HB2  CYS  10           2HB      CYS  10   2.081  -5.447  -2.914
   64    HB3  CYS  10           1HB      CYS  10   2.682  -6.705  -1.836
   65    H    SER  11           H        SER  11   3.428  -8.846  -3.942
   66    HA   SER  11           HA       SER  11   1.663  -8.658  -6.151
   67    HB2  SER  11           2HB      SER  11   3.679  -9.826  -7.602
   68    HB3  SER  11           1HB      SER  11   3.202  -8.136  -7.741
   69    HG   SER  11           HG       SER  11   5.054  -7.585  -6.926
   70    H    ILE  12           H        ILE  12   1.749 -10.060  -3.767
   71    HA   ILE  12           HA       ILE  12   2.250 -12.834  -4.618
   72    HB   ILE  12           HB       ILE  12   2.048 -12.133  -1.722
   73   HG12  ILE  12          2HG1      ILE  12   4.811 -12.126  -2.551
   74   HG13  ILE  12          1HG1      ILE  12   3.927 -10.853  -3.383
   75   HG21  ILE  12          1HG2      ILE  12   2.481 -14.447  -3.098
   76   HG22  ILE  12          2HG2      ILE  12   4.118 -13.973  -2.647
   77   HG23  ILE  12          3HG2      ILE  12   2.883 -14.178  -1.402
   78   HD11  ILE  12          3HD1      ILE  12   3.525  -9.692  -1.474
   79   HD12  ILE  12          1HD1      ILE  12   3.552 -11.133  -0.455
   80   HD13  ILE  12          2HD1      ILE  12   5.062 -10.447  -1.054
   81    H    ASP  13           H        ASP  13   0.596 -11.701  -1.765
   82    HA   ASP  13           HA       ASP  13  -1.769 -13.211  -2.573
   83    HB2  ASP  13           2HB      ASP  13  -0.679 -13.810  -0.464
   84    HB3  ASP  13           1HB      ASP  13  -0.878 -12.161   0.114
   85    H    ASP  14           H        ASP  14  -2.008 -11.178  -4.027
   86    HA   ASP  14           HA       ASP  14  -3.212  -9.335  -4.605
   87    HB2  ASP  14           2HB      ASP  14  -4.810 -10.337  -2.254
   88    HB3  ASP  14           1HB      ASP  14  -5.312  -8.934  -3.190
   89    H    TYR  15           H        TYR  15  -0.962  -8.999  -2.780
   90    HA   TYR  15           HA       TYR  15  -1.773  -6.822  -1.037
   91    HB2  TYR  15           2HB      TYR  15   0.888  -8.202  -1.437
   92    HB3  TYR  15           1HB      TYR  15   0.633  -6.859  -0.326
   93    HD1  TYR  15           1HD      TYR  15  -2.061  -7.614   0.738
   94    HD2  TYR  15           2HD      TYR  15   1.423  -9.952   0.035
   95    HE1  TYR  15           1HE      TYR  15  -2.792  -9.214   2.453
   96    HE2  TYR  15           2HE      TYR  15   0.700 -11.553   1.751
   97    HH   TYR  15           HH       TYR  15  -2.111 -12.023   2.714
   98    H    LYS  16           H        LYS  16  -1.363  -4.731  -1.397
   99    HA   LYS  16           HA       LYS  16  -0.013  -4.058  -3.930
  100    HB2  LYS  16           2HB      LYS  16  -2.010  -2.245  -2.615
  101    HB3  LYS  16           1HB      LYS  16  -1.556  -2.352  -4.311
  102    HG2  LYS  16           2HG      LYS  16  -2.829  -4.309  -4.636
  103    HG3  LYS  16           1HG      LYS  16  -3.031  -4.549  -2.900
  104    HD2  LYS  16           2HD      LYS  16  -4.090  -2.049  -3.285
  105    HD3  LYS  16           1HD      LYS  16  -4.565  -2.903  -4.757
  106    HE2  LYS  16           2HE      LYS  16  -6.055  -4.157  -3.665
  107    HE3  LYS  16           1HE      LYS  16  -4.917  -4.517  -2.366
  108    HZ1  LYS  16           3HZ      LYS  16  -5.546  -1.923  -1.928
  109    HZ2  LYS  16           1HZ      LYS  16  -6.243  -3.243  -1.129
  110    HZ3  LYS  16           2HZ      LYS  16  -7.020  -2.561  -2.471
  111    HA   PRO  17           HA       PRO  17   2.942  -1.611  -1.728
  112    HB2  PRO  17           2HB      PRO  17   3.115   0.567  -3.401
  113    HB3  PRO  17           1HB      PRO  17   3.945  -0.968  -3.672
  114    HG2  PRO  17           2HG      PRO  17   1.400   0.048  -4.862
  115    HG3  PRO  17           1HG      PRO  17   2.718  -0.851  -5.635
  116    HD2  PRO  17           2HD      PRO  17   0.423  -2.048  -4.913
  117    HD3  PRO  17           1HD      PRO  17   1.987  -2.883  -4.804
  118    H    TYR  18           H        TYR  18   2.455  -0.590   0.092
  119    HA   TYR  18           HA       TYR  18   0.753   1.797  -0.043
  120    HB2  TYR  18           2HB      TYR  18   0.542  -0.544   1.823
  121    HB3  TYR  18           1HB      TYR  18  -0.023   1.050   2.313
  122    HD1  TYR  18           2HD      TYR  18  -1.586   2.217   0.470
  123    HD2  TYR  18           1HD      TYR  18  -1.001  -1.973   0.906
  124    HE1  TYR  18           2HE      TYR  18  -3.729   1.807  -0.658
  125    HE2  TYR  18           1HE      TYR  18  -3.143  -2.397  -0.220
  126    HH   TYR  18           HH       TYR  18  -5.377  -0.958  -0.477
  127    H    CYS  19           H        CYS  19   1.760   3.508   0.728
  128    HA   CYS  19           HA       CYS  19   3.937   3.134   2.659
  129    HB2  CYS  19           2HB      CYS  19   3.759   4.763   0.419
  130    HB3  CYS  19           1HB      CYS  19   3.466   5.872   1.755
  131    H    CYS  20           H        CYS  20   2.938   2.888   4.575
  132    HA   CYS  20           HA       CYS  20   0.626   4.467   5.268
  133    HB2  CYS  20           2HB      CYS  20   2.150   2.509   6.994
  134    HB3  CYS  20           1HB      CYS  20   0.525   3.127   7.277
  135    H    GLN  21           H        GLN  21   0.676   6.356   6.194
  136    HA   GLN  21           HA       GLN  21   3.115   7.505   7.177
  137    HB2  GLN  21           2HB      GLN  21   0.289   8.578   7.316
  138    HB3  GLN  21           1HB      GLN  21   1.762   9.499   7.588
  139    HG2  GLN  21           2HG      GLN  21   1.401   8.091   4.993
  140    HG3  GLN  21           1HG      GLN  21   0.520   9.589   5.290
  141   HE21  GLN  21          1HE2      GLN  21   1.859  10.247   3.416
  142   HE22  GLN  21          2HE2      GLN  21   3.433  10.892   3.731
  143    H    SER  22           H        SER  22   2.882   8.800   9.349
  144    HA   SER  22           HA       SER  22   2.955   8.684  11.608
  145    HB2  SER  22           2HB      SER  22   0.543   6.870  11.495
  146    HB3  SER  22           1HB      SER  22   1.000   8.003  12.768
  147    HG   SER  22           HG       SER  22   0.789   9.381  10.511
  148    H    MET  23           H        MET  23   1.471   5.636  12.031
  149    HA   MET  23           HA       MET  23   3.987   4.174  11.973
  150    HB2  MET  23           2HB      MET  23   2.600   5.063  14.434
  151    HB3  MET  23           1HB      MET  23   3.124   3.385  14.414
  152    HG2  MET  23           2HG      MET  23   5.187   3.993  14.901
  153    HG3  MET  23           1HG      MET  23   5.255   5.009  13.464
  154    HE1  MET  23           3HE      MET  23   2.418   6.615  15.823
  155    HE2  MET  23           1HE      MET  23   2.963   5.047  16.422
  156    HE3  MET  23           2HE      MET  23   3.335   6.515  17.328
  157    H    SER  24           H        SER  24   3.654   1.850  12.293
  158    HA   SER  24           HA       SER  24   1.116   0.972  11.237
  159    HB2  SER  24           2HB      SER  24   3.311  -0.831  12.257
  160    HB3  SER  24           1HB      SER  24   2.093  -1.180  11.031
  161    HG   SER  24           HG       SER  24   3.997   0.887  10.685
  162    H    GLY  25           H        GLY  25   2.520   1.413  14.319
  163    HA2  GLY  25           1HA      GLY  25   0.689  -0.360  15.703
  164    HA3  GLY  25           2HA      GLY  25   1.828   0.758  16.444
  165    H    SER  26           H        SER  26  -1.107   0.792  14.462
  166    HA   SER  26           HA       SER  26  -2.397   2.600  16.312
  167    HB2  SER  26           2HB      SER  26  -2.015   3.432  13.420
  168    HB3  SER  26           1HB      SER  26  -2.880   4.332  14.668
  169    HG   SER  26           HG       SER  26  -0.452   3.816  15.593
  170    H    ALA  27           H        ALA  27  -4.679   3.190  15.200
  171    HA   ALA  27           HA       ALA  27  -5.852   0.620  14.557
  172    HB1  ALA  27           1HB      ALA  27  -7.944   2.276  14.420
  173    HB2  ALA  27           2HB      ALA  27  -7.312   1.665  15.948
  174    HB3  ALA  27           3HB      ALA  27  -6.863   3.276  15.389
  175    H    SER  28           H        SER  28  -6.123   3.858  13.115
  176    HA   SER  28           HA       SER  28  -6.401   2.590  10.479
  177    HB2  SER  28           2HB      SER  28  -7.061   5.282  10.209
  178    HB3  SER  28           1HB      SER  28  -8.199   3.942  10.335
  179    HG   SER  28           HG       SER  28  -8.682   5.481  11.912
  180    H    LEU  29           H        LEU  29  -4.688   2.716   9.168
  181    HA   LEU  29           HA       LEU  29  -2.679   4.790   9.743
  182    HB2  LEU  29           2HB      LEU  29  -1.778   2.759   7.900
  183    HB3  LEU  29           1HB      LEU  29  -1.086   3.264   9.430
  184    HG   LEU  29           HG       LEU  29  -3.426   1.628   9.877
  185   HD11  LEU  29          1HD1      LEU  29  -3.101  -0.202   8.631
  186   HD12  LEU  29          2HD1      LEU  29  -2.231   0.890   7.554
  187   HD13  LEU  29          3HD1      LEU  29  -1.343  -0.084   8.727
  188   HD21  LEU  29          3HD2      LEU  29  -1.867   0.366  11.250
  189   HD22  LEU  29          1HD2      LEU  29  -0.505   1.209  10.510
  190   HD23  LEU  29          2HD2      LEU  29  -1.653   2.098  11.509
  191    H    GLY  30           H        GLY  30  -2.080   6.218   8.209
  192    HA2  GLY  30           1HA      GLY  30  -3.733   6.413   5.853
  193    HA3  GLY  30           2HA      GLY  30  -2.493   7.555   6.355
  194    H    CYS  31           H        CYS  31  -2.940   4.331   4.985
  195    HA   CYS  31           HA       CYS  31  -0.288   4.330   3.847
  196    HB2  CYS  31           2HB      CYS  31  -2.518   2.364   3.329
  197    HB3  CYS  31           1HB      CYS  31  -0.789   2.115   3.105
  198    H    VAL  32           H        VAL  32  -0.060   5.807   2.257
  199    HA   VAL  32           HA       VAL  32  -2.103   6.191   0.266
  200    HB   VAL  32           HB       VAL  32  -0.391   7.618  -0.884
  201   HG11  VAL  32          1HG1      VAL  32  -1.062   8.151   2.000
  202   HG12  VAL  32          2HG1      VAL  32  -0.340   9.356   0.933
  203   HG13  VAL  32          3HG1      VAL  32  -1.931   8.690   0.564
  204   HG21  VAL  32          3HG2      VAL  32   1.418   7.956   1.275
  205   HG22  VAL  32          1HG2      VAL  32   1.372   6.242   0.864
  206   HG23  VAL  32          2HG2      VAL  32   1.759   7.434  -0.376
  207    H    VAL  33           H        VAL  33  -1.901   5.689  -1.961
  208    HA   VAL  33           HA       VAL  33  -1.006   3.070  -2.461
  209    HB   VAL  33           HB       VAL  33  -1.918   5.282  -4.298
  210   HG11  VAL  33          1HG1      VAL  33  -0.187   3.604  -5.310
  211   HG12  VAL  33          2HG1      VAL  33  -1.556   2.492  -5.300
  212   HG13  VAL  33          3HG1      VAL  33  -1.656   4.005  -6.200
  213   HG21  VAL  33          3HG2      VAL  33  -3.682   3.326  -4.641
  214   HG22  VAL  33          1HG2      VAL  33  -3.120   2.886  -3.030
  215   HG23  VAL  33          2HG2      VAL  33  -3.811   4.483  -3.315
  216    H    GLY  34           H        GLY  34   0.849   2.270  -3.228
  217    HA2  GLY  34           1HA      GLY  34   3.201   3.814  -3.369
  218    HA3  GLY  34           2HA      GLY  34   3.016   2.166  -3.957
  219    H    VAL  35           H        VAL  35   2.849   5.532  -4.760
  220    HA   VAL  35           HA       VAL  35   2.066   5.111  -7.485
  221    HB   VAL  35           HB       VAL  35   3.021   7.542  -5.967
  222   HG11  VAL  35          1HG1      VAL  35   2.574   7.196  -8.883
  223   HG12  VAL  35          2HG1      VAL  35   2.017   8.689  -8.130
  224   HG13  VAL  35          3HG1      VAL  35   3.717   8.230  -8.027
  225   HG21  VAL  35          3HG2      VAL  35   0.334   7.136  -7.233
  226   HG22  VAL  35          1HG2      VAL  35   0.698   6.488  -5.634
  227   HG23  VAL  35          2HG2      VAL  35   0.793   8.225  -5.922
  228    H    ILE  36           H        ILE  36   3.346   5.164  -9.290
  229    HA   ILE  36           HA       ILE  36   5.986   4.248  -9.108
  230    HB   ILE  36           HB       ILE  36   5.006   5.700 -11.544
  231   HG12  ILE  36          2HG1      ILE  36   4.260   2.971 -11.743
  232   HG13  ILE  36          1HG1      ILE  36   3.600   3.568 -10.226
  233   HG21  ILE  36          1HG2      ILE  36   6.183   3.788 -12.650
  234   HG22  ILE  36          2HG2      ILE  36   7.219   4.840 -11.685
  235   HG23  ILE  36          3HG2      ILE  36   6.715   3.273 -11.048
  236   HD11  ILE  36          3HD1      ILE  36   3.219   5.107 -12.757
  237   HD12  ILE  36          1HD1      ILE  36   2.183   3.735 -12.362
  238   HD13  ILE  36          2HD1      ILE  36   2.257   5.125 -11.279
  239    H    GLY  37           H        GLY  37   7.444   5.470  -8.054
  240    HA2  GLY  37           1HA      GLY  37   9.149   7.184  -8.686
  241    HA3  GLY  37           2HA      GLY  37   7.788   8.257  -8.981
  242    H    SER  38           H        SER  38   6.582   6.766  -6.506
  243    HA   SER  38           HA       SER  38   7.312   8.789  -4.632
  244    HB2  SER  38           2HB      SER  38   5.690   6.256  -4.260
  245    HB3  SER  38           1HB      SER  38   5.803   7.571  -3.090
  246    HG   SER  38           HG       SER  38   5.080   8.880  -5.067
  247    H    GLN  39           H        GLN  39   8.880   8.784  -3.165
  248    HA   GLN  39           HA       GLN  39  10.431   6.343  -2.762
  249    HB2  GLN  39           2HB      GLN  39  10.957   9.251  -2.448
  250    HB3  GLN  39           1HB      GLN  39  11.777   8.177  -1.320
  251    HG2  GLN  39           2HG      GLN  39  13.326   8.266  -2.983
  252    HG3  GLN  39           1HG      GLN  39  12.390   6.872  -3.517
  253   HE21  GLN  39          1HE2      GLN  39  12.299  10.408  -3.796
  254   HE22  GLN  39          2HE2      GLN  39  11.931  10.430  -5.487
  255    H    CYS  40           H        CYS  40   9.658   5.069  -1.236
  256    HA   CYS  40           HA       CYS  40   7.958   6.047   0.853
  257    HB2  CYS  40           2HB      CYS  40   8.782   3.439  -0.200
  258    HB3  CYS  40           1HB      CYS  40   8.558   3.455   1.545
  259    H    GLY  41           H        GLY  41   8.869   7.218   2.414
  260    HA2  GLY  41           1HA      GLY  41  11.289   6.151   3.715
  261    HA3  GLY  41           2HA      GLY  41  10.781   7.833   3.762
  262    H    ALA  42           H        ALA  42   7.991   6.224   4.076
  263    HA   ALA  42           HA       ALA  42   8.012   6.539   6.967
  264    HB1  ALA  42           1HB      ALA  42   5.468   5.732   6.233
  265    HB2  ALA  42           2HB      ALA  42   6.008   7.392   6.486
  266    HB3  ALA  42           3HB      ALA  42   6.019   6.699   4.864
  267    H    SER  43           H        SER  43   6.150   4.164   5.140
  268    HA   SER  43           HA       SER  43   7.737   1.961   6.108
  269    HB2  SER  43           2HB      SER  43   4.939   2.471   7.125
  270    HB3  SER  43           1HB      SER  43   5.682   0.871   7.161
  271    HG   SER  43           HG       SER  43   7.188   2.968   8.190
  272    H    VAL  44           H        VAL  44   7.869   0.629   4.437
  273    HA   VAL  44           HA       VAL  44   5.891   0.668   2.324
  274    HB   VAL  44           HB       VAL  44   8.120  -1.342   2.502
  275   HG11  VAL  44          1HG1      VAL  44   6.225  -1.183   0.696
  276   HG12  VAL  44          2HG1      VAL  44   7.264   0.074   0.023
  277   HG13  VAL  44          3HG1      VAL  44   7.883  -1.565   0.231
  278   HG21  VAL  44          3HG2      VAL  44   9.351   0.602   2.938
  279   HG22  VAL  44          1HG2      VAL  44   9.484   0.386   1.193
  280   HG23  VAL  44          2HG2      VAL  44   8.366   1.581   1.852
  281    H    LYS  45           H        LYS  45   4.019  -0.266   2.875
  282    HA   LYS  45           HA       LYS  45   4.140  -2.884   4.216
  283    HB2  LYS  45           2HB      LYS  45   1.798  -0.982   4.260
  284    HB3  LYS  45           1HB      LYS  45   2.048  -2.407   5.258
  285    HG2  LYS  45           2HG      LYS  45   4.189  -0.470   5.541
  286    HG3  LYS  45           1HG      LYS  45   2.606   0.195   5.953
  287    HD2  LYS  45           2HD      LYS  45   2.746  -0.815   7.925
  288    HD3  LYS  45           1HD      LYS  45   2.709  -2.372   7.094
  289    HE2  LYS  45           2HE      LYS  45   5.078  -2.464   6.984
  290    HE3  LYS  45           1HE      LYS  45   5.230  -0.785   7.497
  291    HZ1  LYS  45           3HZ      LYS  45   4.376  -1.386   9.659
  292    HZ2  LYS  45           1HZ      LYS  45   5.722  -2.350   9.287
  293    HZ3  LYS  45           2HZ      LYS  45   4.159  -2.996   9.162
  294    H    CYS  46           H        CYS  46   3.193  -4.573   3.278
  295    HA   CYS  46           HA       CYS  46   1.731  -4.130   0.780
  296    HB2  CYS  46           2HB      CYS  46   2.910  -6.665   1.943
  297    HB3  CYS  46           1HB      CYS  46   2.065  -6.557   0.402
  298    H    CYS  47           H        CYS  47  -0.299  -3.620   1.432
  299    HA   CYS  47           HA       CYS  47  -1.658  -5.535   3.202
  300    HB2  CYS  47           2HB      CYS  47  -2.431  -2.664   2.641
  301    HB3  CYS  47           1HB      CYS  47  -3.194  -3.748   3.799
  302    H    LYS  48           H        LYS  48  -4.017  -5.781   2.746
  303    HA   LYS  48           HA       LYS  48  -4.377  -6.048  -0.165
  304    HB2  LYS  48           2HB      LYS  48  -4.248  -8.136   1.214
  305    HB3  LYS  48           1HB      LYS  48  -5.716  -7.629   2.034
  306    HG2  LYS  48           2HG      LYS  48  -6.895  -7.662  -0.139
  307    HG3  LYS  48           1HG      LYS  48  -5.421  -8.273  -0.891
  308    HD2  LYS  48           2HD      LYS  48  -7.109  -9.622   1.212
  309    HD3  LYS  48           1HD      LYS  48  -6.845 -10.145  -0.450
  310    HE2  LYS  48           2HE      LYS  48  -4.343 -10.213   0.256
  311    HE3  LYS  48           1HE      LYS  48  -4.990 -10.258   1.894
  312    HZ1  LYS  48           3HZ      LYS  48  -6.119 -12.267   1.435
  313    HZ2  LYS  48           1HZ      LYS  48  -4.539 -12.471   0.849
  314    HZ3  LYS  48           2HZ      LYS  48  -5.818 -12.159  -0.226
  315    H    ASP  49           H        ASP  49  -5.881  -5.027   2.820
  316    HA   ASP  49           HA       ASP  49  -7.959  -4.356   3.373
  317    HB2  ASP  49           2HB      ASP  49  -8.659  -2.236   2.264
  318    HB3  ASP  49           1HB      ASP  49  -7.011  -2.242   2.861
  319    H    ASP  50           H        ASP  50  -8.822  -3.403   0.128
  320    HA   ASP  50           HA       ASP  50 -10.303  -5.741  -0.517
  321    HB2  ASP  50           2HB      ASP  50 -11.758  -5.142   1.288
  322    HB3  ASP  50           1HB      ASP  50 -11.794  -3.456   0.787
  323    H    VAL  51           H        VAL  51  -9.831  -2.273  -0.884
  324    HA   VAL  51           HA       VAL  51 -11.328  -1.972  -3.283
  325    HB   VAL  51           HB       VAL  51  -9.028  -0.214  -2.429
  326   HG11  VAL  51          1HG1      VAL  51 -10.365   1.539  -3.550
  327   HG12  VAL  51          2HG1      VAL  51  -9.866   0.246  -4.644
  328   HG13  VAL  51          3HG1      VAL  51 -11.522   0.301  -4.044
  329   HG21  VAL  51          3HG2      VAL  51 -11.402  -0.777  -0.976
  330   HG22  VAL  51          1HG2      VAL  51 -10.134   0.392  -0.604
  331   HG23  VAL  51          2HG2      VAL  51 -11.513   0.870  -1.596
  332    H    THR  52           H        THR  52 -10.832  -2.609  -5.276
  333    HA   THR  52           HA       THR  52  -8.244  -3.786  -5.786
  334    HB   THR  52           HB       THR  52  -9.709  -3.744  -8.183
  335    HG1  THR  52           1HG      THR  52 -11.447  -4.639  -6.131
  336   HG21  THR  52          3HG2      THR  52  -8.450  -5.581  -6.539
  337   HG22  THR  52          1HG2      THR  52  -9.262  -5.940  -8.063
  338   HG23  THR  52          2HG2      THR  52 -10.131  -6.114  -6.538
  339    H    ASN  53           H        ASN  53  -9.826  -0.796  -6.476
  340    HA   ASN  53           HA       ASN  53  -8.325  -0.106  -8.804
  341    HB2  ASN  53           2HB      ASN  53 -10.609   0.825  -8.016
  342    HB3  ASN  53           1HB      ASN  53  -9.656   1.898  -6.995
  343   HD21  ASN  53          1HD2      ASN  53 -11.365   2.042  -9.609
  344   HD22  ASN  53          2HD2      ASN  53 -10.408   3.088 -10.610
  345    H    THR  54           H        THR  54  -6.255   0.397  -8.844
  346    HA   THR  54           HA       THR  54  -4.882   1.247  -6.432
  347    HB   THR  54           HB       THR  54  -3.369   1.130  -8.967
  348    HG1  THR  54           1HG      THR  54  -3.695  -1.406  -8.120
  349   HG21  THR  54          3HG2      THR  54  -2.422   1.339  -6.625
  350   HG22  THR  54          1HG2      THR  54  -1.732   0.055  -7.617
  351   HG23  THR  54          2HG2      THR  54  -2.916  -0.335  -6.369
  352    H    GLY  55           H        GLY  55  -6.697   2.916  -8.467
  353    HA2  GLY  55           1HA      GLY  55  -4.843   5.093  -9.046
  354    HA3  GLY  55           2HA      GLY  55  -6.524   4.995  -9.548
  355    H    ASN  56           H        ASN  56  -6.165   4.211  -6.319
  356    HA   ASN  56           HA       ASN  56  -7.587   6.515  -5.439
  357    HB2  ASN  56           2HB      ASN  56  -7.410   4.031  -4.472
  358    HB3  ASN  56           1HB      ASN  56  -6.172   4.783  -3.471
  359   HD21  ASN  56          1HD2      ASN  56  -9.350   4.018  -3.627
  360   HD22  ASN  56          2HD2      ASN  56  -9.987   5.161  -2.500
  361    H    SER  57           H        SER  57  -6.881   8.085  -3.894
  362    HA   SER  57           HA       SER  57  -4.193   8.993  -4.354
  363    HB2  SER  57           2HB      SER  57  -5.865  10.278  -2.266
  364    HB3  SER  57           1HB      SER  57  -4.932  11.009  -3.574
  365    HG   SER  57           HG       SER  57  -6.591  10.834  -4.896
  366    H    GLY  58           H        GLY  58  -6.037   7.682  -1.642
  367    HA2  GLY  58           1HA      GLY  58  -3.711   6.595  -0.410
  368    HA3  GLY  58           2HA      GLY  58  -4.254   8.038   0.437
  369    H    LEU  59           H        LEU  59  -4.276   4.970   0.938
  370    HA   LEU  59           HA       LEU  59  -7.154   4.741   1.496
  371    HB2  LEU  59           2HB      LEU  59  -5.266   2.932   0.331
  372    HB3  LEU  59           1HB      LEU  59  -5.888   2.236   1.816
  373    HG   LEU  59           HG       LEU  59  -8.045   3.336   0.246
  374   HD11  LEU  59          1HD1      LEU  59  -7.890   2.230  -1.755
  375   HD12  LEU  59          2HD1      LEU  59  -6.203   2.675  -1.498
  376   HD13  LEU  59          3HD1      LEU  59  -6.749   1.037  -1.136
  377   HD21  LEU  59          3HD2      LEU  59  -7.488   0.455   0.882
  378   HD22  LEU  59          1HD2      LEU  59  -8.050   1.598   2.102
  379   HD23  LEU  59          2HD2      LEU  59  -9.047   1.257   0.686
  380    H    ILE  60           H        ILE  60  -7.660   5.131   3.513
  381    HA   ILE  60           HA       ILE  60  -5.749   4.849   5.653
  382    HB   ILE  60           HB       ILE  60  -8.640   5.285   6.230
  383   HG12  ILE  60          2HG1      ILE  60  -7.702   7.847   5.778
  384   HG13  ILE  60          1HG1      ILE  60  -7.068   6.947   4.404
  385   HG21  ILE  60          1HG2      ILE  60  -6.333   5.390   7.702
  386   HG22  ILE  60          2HG2      ILE  60  -6.636   7.091   7.347
  387   HG23  ILE  60          3HG2      ILE  60  -7.871   6.126   8.155
  388   HD11  ILE  60          3HD1      ILE  60  -9.068   7.525   3.532
  389   HD12  ILE  60          1HD1      ILE  60  -9.582   6.058   4.364
  390   HD13  ILE  60          2HD1      ILE  60  -9.851   7.636   5.108
  391    H    ILE  61           H        ILE  61  -5.431   2.547   5.238
  392    HA   ILE  61           HA       ILE  61  -7.577   0.721   5.839
  393    HB   ILE  61           HB       ILE  61  -4.682  -0.077   5.735
  394   HG12  ILE  61          2HG1      ILE  61  -6.300  -0.045   3.228
  395   HG13  ILE  61          1HG1      ILE  61  -5.569   1.465   3.763
  396   HG21  ILE  61          1HG2      ILE  61  -5.725  -2.101   4.630
  397   HG22  ILE  61          2HG2      ILE  61  -6.119  -1.858   6.332
  398   HG23  ILE  61          3HG2      ILE  61  -7.290  -1.428   5.085
  399   HD11  ILE  61          3HD1      ILE  61  -3.696   0.838   2.782
  400   HD12  ILE  61          1HD1      ILE  61  -3.565  -0.488   3.939
  401   HD13  ILE  61          2HD1      ILE  61  -4.387  -0.738   2.397
  402    H    ASN  62           H        ASN  62  -7.785  -0.544   7.670
  403    HA   ASN  62           HA       ASN  62  -6.441   0.423  10.048
  404    HB2  ASN  62           2HB      ASN  62  -8.033  -0.761  11.290
  405    HB3  ASN  62           1HB      ASN  62  -8.932  -0.245   9.869
  406   HD21  ASN  62          1HD2      ASN  62  -8.566  -2.703  11.894
  407   HD22  ASN  62          2HD2      ASN  62  -8.947  -4.036  10.853
  408    H    ALA  63           H        ALA  63  -5.220  -0.935  11.450
  409    HA   ALA  63           HA       ALA  63  -3.362  -2.577  10.085
  410    HB1  ALA  63           1HB      ALA  63  -3.582  -1.372  12.643
  411    HB2  ALA  63           2HB      ALA  63  -3.237  -3.086  12.877
  412    HB3  ALA  63           3HB      ALA  63  -2.162  -2.099  11.888
  413    H    ALA  64           H        ALA  64  -4.353  -4.311   9.115
  414    HA   ALA  64           HA       ALA  64  -5.053  -6.515  10.876
  415    HB1  ALA  64           1HB      ALA  64  -7.185  -5.304  10.465
  416    HB2  ALA  64           2HB      ALA  64  -6.985  -5.618   8.741
  417    HB3  ALA  64           3HB      ALA  64  -7.186  -6.962   9.864
  418    H    ASN  65           H        ASN  65  -5.720  -5.967   7.427
  419    HA   ASN  65           HA       ASN  65  -4.415  -8.473   6.792
  420    HB2  ASN  65           2HB      ASN  65  -5.209  -7.785   4.405
  421    HB3  ASN  65           1HB      ASN  65  -6.402  -8.288   5.596
  422   HD21  ASN  65          1HD2      ASN  65  -8.098  -7.043   5.801
  423   HD22  ASN  65          2HD2      ASN  65  -8.195  -5.365   5.369
  424    H    CYS  66           H        CYS  66  -2.479  -6.969   7.676
  425    HA   CYS  66           HA       CYS  66  -0.987  -6.227   5.250
  426    HB2  CYS  66           2HB      CYS  66  -0.794  -4.925   7.980
  427    HB3  CYS  66           1HB      CYS  66   0.244  -4.559   6.606
  428    H    VAL  67           H        VAL  67   1.081  -7.018   5.106
  429    HA   VAL  67           HA       VAL  67   1.565  -9.472   6.323
  430    HB   VAL  67           HB       VAL  67   4.030  -8.983   5.515
  431   HG11  VAL  67          1HG1      VAL  67   2.817  -9.259   3.068
  432   HG12  VAL  67          2HG1      VAL  67   3.185 -10.570   4.191
  433   HG13  VAL  67          3HG1      VAL  67   1.582  -9.836   4.188
  434   HG21  VAL  67          3HG2      VAL  67   3.100  -7.333   3.393
  435   HG22  VAL  67          1HG2      VAL  67   2.735  -6.531   4.920
  436   HG23  VAL  67          2HG2      VAL  67   4.390  -7.013   4.554
  437    H    ALA  68           H        ALA  68   3.187  -6.358   7.013
  438    HA   ALA  68           HA       ALA  68   3.937  -7.452   9.625
  439    HB1  ALA  68           1HB      ALA  68   6.183  -6.484   9.408
  440    HB2  ALA  68           2HB      ALA  68   5.879  -7.728   8.194
  441    HB3  ALA  68           3HB      ALA  68   5.815  -6.024   7.746
  Start of MODEL   11
    1    H1   SER   1           1H       SER   1  16.941   2.683   4.073
    2    H2   SER   1           2H       SER   1  15.535   1.903   3.540
    3    H3   SER   1           3H       SER   1  16.146   1.587   5.088
    4    HA   SER   1           HA       SER   1  14.856   3.155   5.899
    5    HB2  SER   1           2HB      SER   1  15.729   5.413   4.295
    6    HB3  SER   1           1HB      SER   1  15.979   5.096   6.013
    7    HG   SER   1           HG       SER   1  17.966   5.158   4.947
    8    H    ALA   2           H        ALA   2  15.186   4.111   2.471
    9    HA   ALA   2           HA       ALA   2  12.246   4.345   2.369
   10    HB1  ALA   2           1HB      ALA   2  14.056   5.730   0.431
   11    HB2  ALA   2           2HB      ALA   2  12.415   6.151   0.928
   12    HB3  ALA   2           3HB      ALA   2  13.768   6.422   2.029
   13    H    THR   3           H        THR   3  11.160   3.342   0.711
   14    HA   THR   3           HA       THR   3  12.800   1.490  -0.893
   15    HB   THR   3           HB       THR   3   9.913   0.930  -0.459
   16    HG1  THR   3           1HG      THR   3  11.681   1.313   1.584
   17   HG21  THR   3          3HG2      THR   3  11.730  -0.447  -1.743
   18   HG22  THR   3          1HG2      THR   3  10.549  -1.278  -0.729
   19   HG23  THR   3          2HG2      THR   3  12.182  -0.992  -0.128
   20    H    THR   4           H        THR   4  12.441   1.326  -3.073
   21    HA   THR   4           HA       THR   4  11.054   3.491  -4.347
   22    HB   THR   4           HB       THR   4  11.955   1.197  -5.984
   23    HG1  THR   4           1HG      THR   4  13.811   2.821  -4.529
   24   HG21  THR   4          3HG2      THR   4  12.910   2.952  -7.353
   25   HG22  THR   4          1HG2      THR   4  12.603   4.147  -6.094
   26   HG23  THR   4          2HG2      THR   4  11.251   3.380  -6.930
   27    H    ILE   5           H        ILE   5   9.030   3.488  -5.078
   28    HA   ILE   5           HA       ILE   5   7.468   1.099  -4.505
   29    HB   ILE   5           HB       ILE   5   6.241   3.695  -5.327
   30   HG12  ILE   5          2HG1      ILE   5   8.084   3.896  -3.457
   31   HG13  ILE   5          1HG1      ILE   5   6.533   4.709  -3.270
   32   HG21  ILE   5          1HG2      ILE   5   4.406   2.941  -4.008
   33   HG22  ILE   5          2HG2      ILE   5   4.926   1.594  -5.018
   34   HG23  ILE   5          3HG2      ILE   5   5.369   1.638  -3.313
   35   HD11  ILE   5          3HD1      ILE   5   7.257   2.052  -2.063
   36   HD12  ILE   5          1HD1      ILE   5   7.261   3.600  -1.219
   37   HD13  ILE   5          2HD1      ILE   5   5.749   2.934  -1.834
   38    H    GLY   6           H        GLY   6   5.959   0.239  -5.870
   39    HA2  GLY   6           1HA      GLY   6   5.035   0.948  -8.298
   40    HA3  GLY   6           2HA      GLY   6   6.623   0.279  -8.671
   41    HA   PRO   7           HA       PRO   7   3.515  -3.286  -8.275
   42    HB2  PRO   7           2HB      PRO   7   4.245  -3.669 -11.110
   43    HB3  PRO   7           1HB      PRO   7   2.659  -3.741 -10.338
   44    HG2  PRO   7           2HG      PRO   7   3.371  -1.693 -11.922
   45    HG3  PRO   7           1HG      PRO   7   2.323  -1.469 -10.510
   46    HD2  PRO   7           2HD      PRO   7   5.225  -0.842 -10.838
   47    HD3  PRO   7           1HD      PRO   7   3.960   0.056  -9.963
   48    H    ASN   8           H        ASN   8   6.183  -3.010  -7.441
   49    HA   ASN   8           HA       ASN   8   7.320  -5.561  -8.346
   50    HB2  ASN   8           2HB      ASN   8   8.551  -3.555  -9.297
   51    HB3  ASN   8           1HB      ASN   8   9.002  -3.152  -7.643
   52   HD21  ASN   8          1HD2      ASN   8  11.008  -3.728  -7.226
   53   HD22  ASN   8          2HD2      ASN   8  11.786  -5.176  -7.781
   54    H    THR   9           H        THR   9   7.216  -3.061  -5.839
   55    HA   THR   9           HA       THR   9   8.501  -4.488  -3.797
   56    HB   THR   9           HB       THR   9   6.357  -2.742  -2.856
   57    HG1  THR   9           1HG      THR   9   8.185  -1.167  -4.146
   58   HG21  THR   9          3HG2      THR   9   8.995  -1.682  -2.525
   59   HG22  THR   9          1HG2      THR   9   9.027  -3.416  -2.207
   60   HG23  THR   9          2HG2      THR   9   7.923  -2.375  -1.309
   61    H    CYS  10           H        CYS  10   5.094  -4.259  -4.706
   62    HA   CYS  10           HA       CYS  10   4.648  -6.907  -3.653
   63    HB2  CYS  10           2HB      CYS  10   3.502  -4.476  -2.385
   64    HB3  CYS  10           1HB      CYS  10   2.404  -5.838  -2.620
   65    H    SER  11           H        SER  11   3.434  -7.992  -5.016
   66    HA   SER  11           HA       SER  11   1.288  -6.995  -6.536
   67    HB2  SER  11           2HB      SER  11   2.694  -7.389  -8.779
   68    HB3  SER  11           1HB      SER  11   2.604  -5.803  -8.015
   69    HG   SER  11           HG       SER  11   4.761  -6.457  -8.553
   70    H    ILE  12           H        ILE  12   1.845  -9.170  -4.909
   71    HA   ILE  12           HA       ILE  12   2.156 -11.428  -6.765
   72    HB   ILE  12           HB       ILE  12   2.549 -11.954  -3.893
   73   HG12  ILE  12          2HG1      ILE  12   4.693 -10.452  -5.410
   74   HG13  ILE  12          1HG1      ILE  12   3.623  -9.692  -4.235
   75   HG21  ILE  12          1HG2      ILE  12   4.390 -13.314  -4.754
   76   HG22  ILE  12          2HG2      ILE  12   2.879 -13.652  -5.599
   77   HG23  ILE  12          3HG2      ILE  12   4.115 -12.657  -6.366
   78   HD11  ILE  12          3HD1      ILE  12   5.536 -10.119  -3.023
   79   HD12  ILE  12          1HD1      ILE  12   4.501 -11.489  -2.615
   80   HD13  ILE  12          2HD1      ILE  12   5.801 -11.684  -3.792
   81    H    ASP  13           H        ASP  13   1.045 -11.371  -3.410
   82    HA   ASP  13           HA       ASP  13  -1.243 -12.974  -4.196
   83    HB2  ASP  13           2HB      ASP  13   0.302 -13.440  -2.200
   84    HB3  ASP  13           1HB      ASP  13  -0.552 -12.130  -1.389
   85    H    ASP  14           H        ASP  14  -1.918 -10.823  -5.334
   86    HA   ASP  14           HA       ASP  14  -3.270  -8.994  -5.494
   87    HB2  ASP  14           2HB      ASP  14  -4.858 -10.884  -4.738
   88    HB3  ASP  14           1HB      ASP  14  -4.825 -10.102  -3.162
   89    H    TYR  15           H        TYR  15  -1.119  -8.185  -4.372
   90    HA   TYR  15           HA       TYR  15  -1.901  -6.649  -1.983
   91    HB2  TYR  15           2HB      TYR  15   0.627  -8.126  -2.611
   92    HB3  TYR  15           1HB      TYR  15   0.710  -6.679  -1.617
   93    HD1  TYR  15           1HD      TYR  15  -1.486  -6.772   0.161
   94    HD2  TYR  15           2HD      TYR  15   0.804 -10.014  -1.346
   95    HE1  TYR  15           1HE      TYR  15  -2.087  -8.104   2.132
   96    HE2  TYR  15           2HE      TYR  15   0.212 -11.355   0.618
   97    HH   TYR  15           HH       TYR  15  -1.843 -11.328   2.309
   98    H    LYS  16           H        LYS  16  -1.836  -4.531  -2.243
   99    HA   LYS  16           HA       LYS  16  -0.283  -3.443  -4.484
  100    HB2  LYS  16           2HB      LYS  16  -1.959  -1.488  -3.164
  101    HB3  LYS  16           1HB      LYS  16  -1.957  -1.995  -4.845
  102    HG2  LYS  16           2HG      LYS  16  -3.187  -3.999  -3.189
  103    HG3  LYS  16           1HG      LYS  16  -3.940  -2.423  -2.943
  104    HD2  LYS  16           2HD      LYS  16  -3.424  -2.987  -5.748
  105    HD3  LYS  16           1HD      LYS  16  -4.473  -4.192  -4.998
  106    HE2  LYS  16           2HE      LYS  16  -5.028  -1.308  -4.494
  107    HE3  LYS  16           1HE      LYS  16  -5.458  -1.986  -6.065
  108    HZ1  LYS  16           3HZ      LYS  16  -6.449  -3.835  -4.419
  109    HZ2  LYS  16           1HZ      LYS  16  -7.347  -2.519  -4.998
  110    HZ3  LYS  16           2HZ      LYS  16  -6.641  -2.450  -3.454
  111    HA   PRO  17           HA       PRO  17   2.530  -1.663  -1.561
  112    HB2  PRO  17           2HB      PRO  17   3.576   0.327  -3.070
  113    HB3  PRO  17           1HB      PRO  17   3.965  -1.375  -3.344
  114    HG2  PRO  17           2HG      PRO  17   2.038   0.391  -4.794
  115    HG3  PRO  17           1HG      PRO  17   3.166  -0.810  -5.448
  116    HD2  PRO  17           2HD      PRO  17   0.500  -1.278  -5.095
  117    HD3  PRO  17           1HD      PRO  17   1.728  -2.556  -5.037
  118    H    TYR  18           H        TYR  18   2.111  -0.362   0.109
  119    HA   TYR  18           HA       TYR  18   0.424   1.995  -0.388
  120    HB2  TYR  18           2HB      TYR  18   0.069  -0.257   1.527
  121    HB3  TYR  18           1HB      TYR  18  -0.404   1.356   2.059
  122    HD1  TYR  18           1HD      TYR  18  -1.707   2.658   0.023
  123    HD2  TYR  18           2HD      TYR  18  -1.673  -1.530   0.735
  124    HE1  TYR  18           1HE      TYR  18  -3.820   2.445  -1.199
  125    HE2  TYR  18           2HE      TYR  18  -3.790  -1.765  -0.486
  126    HH   TYR  18           HH       TYR  18  -5.484  -0.682  -1.521
  127    H    CYS  19           H        CYS  19   1.125   3.831   0.441
  128    HA   CYS  19           HA       CYS  19   3.372   3.744   2.334
  129    HB2  CYS  19           2HB      CYS  19   2.369   6.067   0.670
  130    HB3  CYS  19           1HB      CYS  19   3.831   6.044   1.650
  131    H    CYS  20           H        CYS  20   2.537   3.644   4.324
  132    HA   CYS  20           HA       CYS  20   0.147   5.088   5.047
  133    HB2  CYS  20           2HB      CYS  20   1.937   3.102   6.361
  134    HB3  CYS  20           1HB      CYS  20   0.988   4.160   7.403
  135    H    GLN  21           H        GLN  21   0.125   7.093   5.692
  136    HA   GLN  21           HA       GLN  21   2.605   8.283   6.750
  137    HB2  GLN  21           2HB      GLN  21   0.405  10.024   5.769
  138    HB3  GLN  21           1HB      GLN  21   2.145  10.231   5.624
  139    HG2  GLN  21           2HG      GLN  21   1.174   7.952   4.115
  140    HG3  GLN  21           1HG      GLN  21   0.402   9.458   3.627
  141   HE21  GLN  21          1HE2      GLN  21   1.557  10.974   2.546
  142   HE22  GLN  21          2HE2      GLN  21   3.193  10.746   2.018
  143    H    SER  22           H        SER  22  -0.931   8.476   6.973
  144    HA   SER  22           HA       SER  22  -2.361   8.739   8.702
  145    HB2  SER  22           2HB      SER  22  -0.352   7.688  10.633
  146    HB3  SER  22           1HB      SER  22  -2.051   7.258  10.427
  147    HG   SER  22           HG       SER  22   0.175   6.161   9.300
  148    H    MET  23           H        MET  23  -1.360   9.026  11.548
  149    HA   MET  23           HA       MET  23  -0.537  11.851  11.441
  150    HB2  MET  23           2HB      MET  23  -2.913  10.614  12.744
  151    HB3  MET  23           1HB      MET  23  -2.070  11.863  13.649
  152    HG2  MET  23           2HG      MET  23  -3.659  13.083  12.536
  153    HG3  MET  23           1HG      MET  23  -2.274  13.236  11.459
  154    HE1  MET  23           3HE      MET  23  -4.797  10.683  12.405
  155    HE2  MET  23           1HE      MET  23  -5.883  10.526  11.024
  156    HE3  MET  23           2HE      MET  23  -4.383   9.599  11.078
  157    H    SER  24           H        SER  24  -0.658  12.084  14.336
  158    HA   SER  24           HA       SER  24   1.904  11.077  14.985
  159    HB2  SER  24           2HB      SER  24   0.143  11.841  17.226
  160    HB3  SER  24           1HB      SER  24   1.742  12.447  16.788
  161    HG   SER  24           HG       SER  24  -0.533  13.669  16.439
  162    H    GLY  25           H        GLY  25  -1.263  10.289  16.479
  163    HA2  GLY  25           1HA      GLY  25  -0.120   7.649  17.159
  164    HA3  GLY  25           2HA      GLY  25  -1.390   8.453  18.073
  165    H    SER  26           H        SER  26  -0.641   6.421  15.385
  166    HA   SER  26           HA       SER  26  -3.517   6.102  14.889
  167    HB2  SER  26           2HB      SER  26  -2.020   5.843  12.420
  168    HB3  SER  26           1HB      SER  26  -3.431   6.839  12.772
  169    HG   SER  26           HG       SER  26  -1.049   7.724  13.862
  170    H    ALA  27           H        ALA  27  -3.935   4.067  15.399
  171    HA   ALA  27           HA       ALA  27  -2.062   1.926  14.793
  172    HB1  ALA  27           1HB      ALA  27  -3.854   0.472  15.740
  173    HB2  ALA  27           2HB      ALA  27  -3.302   1.732  16.844
  174    HB3  ALA  27           3HB      ALA  27  -4.833   1.920  15.987
  175    H    SER  28           H        SER  28  -5.375   2.853  13.890
  176    HA   SER  28           HA       SER  28  -5.278   1.360  11.439
  177    HB2  SER  28           2HB      SER  28  -7.193   3.619  11.776
  178    HB3  SER  28           1HB      SER  28  -7.481   1.983  11.181
  179    HG   SER  28           HG       SER  28  -7.801   1.290  13.174
  180    H    LEU  29           H        LEU  29  -3.601   2.004  10.206
  181    HA   LEU  29           HA       LEU  29  -2.731   4.743  10.201
  182    HB2  LEU  29           2HB      LEU  29  -1.472   2.975   8.249
  183    HB3  LEU  29           1HB      LEU  29  -0.750   3.944   9.516
  184    HG   LEU  29           HG       LEU  29  -2.122   1.645  10.632
  185   HD11  LEU  29          1HD1      LEU  29   0.248   0.812   9.069
  186   HD12  LEU  29          2HD1      LEU  29  -1.150  -0.122   9.598
  187   HD13  LEU  29          3HD1      LEU  29  -1.287   0.963   8.213
  188   HD21  LEU  29          3HD2      LEU  29   0.540   1.376  11.155
  189   HD22  LEU  29          1HD2      LEU  29   0.403   3.108  10.851
  190   HD23  LEU  29          2HD2      LEU  29  -0.584   2.352  12.103
  191    H    GLY  30           H        GLY  30  -2.302   5.962   8.278
  192    HA2  GLY  30           1HA      GLY  30  -4.468   5.623   6.315
  193    HA3  GLY  30           2HA      GLY  30  -3.633   7.132   6.670
  194    H    CYS  31           H        CYS  31  -3.498   4.103   4.995
  195    HA   CYS  31           HA       CYS  31  -0.931   4.693   3.783
  196    HB2  CYS  31           2HB      CYS  31  -2.675   2.343   4.065
  197    HB3  CYS  31           1HB      CYS  31  -1.871   2.462   2.508
  198    H    VAL  32           H        VAL  32  -0.691   5.672   1.883
  199    HA   VAL  32           HA       VAL  32  -3.015   5.862   0.085
  200    HB   VAL  32           HB       VAL  32  -1.701   7.615  -1.108
  201   HG11  VAL  32          1HG1      VAL  32  -1.743   9.267   0.920
  202   HG12  VAL  32          2HG1      VAL  32  -3.243   8.574   0.305
  203   HG13  VAL  32          3HG1      VAL  32  -2.493   7.906   1.754
  204   HG21  VAL  32          3HG2      VAL  32   0.514   7.552  -0.762
  205   HG22  VAL  32          1HG2      VAL  32   0.161   8.499   0.680
  206   HG23  VAL  32          2HG2      VAL  32   0.346   6.752   0.800
  207    H    VAL  33           H        VAL  33  -2.632   5.462  -2.228
  208    HA   VAL  33           HA       VAL  33  -1.232   3.078  -2.696
  209    HB   VAL  33           HB       VAL  33  -3.015   3.576  -4.181
  210   HG11  VAL  33          1HG1      VAL  33  -3.217   5.912  -4.108
  211   HG12  VAL  33          2HG1      VAL  33  -1.583   6.157  -4.727
  212   HG13  VAL  33          3HG1      VAL  33  -2.844   5.527  -5.789
  213   HG21  VAL  33          3HG2      VAL  33  -0.336   3.216  -5.222
  214   HG22  VAL  33          1HG2      VAL  33  -1.847   2.450  -5.712
  215   HG23  VAL  33          2HG2      VAL  33  -1.387   4.007  -6.397
  216    H    GLY  34           H        GLY  34   0.828   2.668  -3.108
  217    HA2  GLY  34           1HA      GLY  34   2.806   4.663  -2.936
  218    HA3  GLY  34           2HA      GLY  34   3.064   3.001  -3.445
  219    H    VAL  35           H        VAL  35   3.710   5.935  -4.399
  220    HA   VAL  35           HA       VAL  35   2.688   5.907  -7.078
  221    HB   VAL  35           HB       VAL  35   4.933   7.711  -6.692
  222   HG11  VAL  35          1HG1      VAL  35   1.998   8.138  -7.245
  223   HG12  VAL  35          2HG1      VAL  35   3.246   9.376  -7.371
  224   HG13  VAL  35          3HG1      VAL  35   3.279   7.975  -8.444
  225   HG21  VAL  35          3HG2      VAL  35   3.606   7.294  -4.331
  226   HG22  VAL  35          1HG2      VAL  35   4.481   8.762  -4.763
  227   HG23  VAL  35          2HG2      VAL  35   2.738   8.670  -5.013
  228    H    ILE  36           H        ILE  36   3.559   4.958  -8.773
  229    HA   ILE  36           HA       ILE  36   5.808   3.249  -8.458
  230    HB   ILE  36           HB       ILE  36   4.412   4.058 -11.019
  231   HG12  ILE  36          2HG1      ILE  36   3.856   1.431  -9.770
  232   HG13  ILE  36          1HG1      ILE  36   3.217   2.834  -8.915
  233   HG21  ILE  36          1HG2      ILE  36   5.529   1.386 -10.919
  234   HG22  ILE  36          2HG2      ILE  36   5.742   2.658 -12.122
  235   HG23  ILE  36          3HG2      ILE  36   6.761   2.627 -10.685
  236   HD11  ILE  36          3HD1      ILE  36   2.717   2.226 -11.818
  237   HD12  ILE  36          1HD1      ILE  36   1.618   1.836 -10.495
  238   HD13  ILE  36          2HD1      ILE  36   1.992   3.520 -10.863
  239    H    GLY  37           H        GLY  37   7.837   3.930  -8.406
  240    HA2  GLY  37           1HA      GLY  37   9.718   4.798  -9.679
  241    HA3  GLY  37           2HA      GLY  37   8.654   6.065 -10.278
  242    H    SER  38           H        SER  38   7.567   6.087  -7.386
  243    HA   SER  38           HA       SER  38   9.434   8.110  -6.454
  244    HB2  SER  38           2HB      SER  38   6.778   7.285  -5.263
  245    HB3  SER  38           1HB      SER  38   7.677   8.763  -4.930
  246    HG   SER  38           HG       SER  38   6.253   9.407  -6.421
  247    H    GLN  39           H        GLN  39   9.505   8.101  -3.853
  248    HA   GLN  39           HA       GLN  39  10.252   5.397  -2.988
  249    HB2  GLN  39           2HB      GLN  39  12.192   6.930  -3.918
  250    HB3  GLN  39           1HB      GLN  39  12.073   7.679  -2.332
  251    HG2  GLN  39           2HG      GLN  39  13.047   5.952  -1.305
  252    HG3  GLN  39           1HG      GLN  39  12.179   4.759  -2.271
  253   HE21  GLN  39          1HE2      GLN  39  14.769   7.162  -2.528
  254   HE22  GLN  39          2HE2      GLN  39  15.762   6.224  -3.593
  255    H    CYS  40           H        CYS  40   8.690   5.220  -1.458
  256    HA   CYS  40           HA       CYS  40   8.083   7.385   0.347
  257    HB2  CYS  40           2HB      CYS  40   7.123   4.530   0.139
  258    HB3  CYS  40           1HB      CYS  40   6.636   5.589   1.458
  259    H    GLY  41           H        GLY  41   9.013   7.771   2.250
  260    HA2  GLY  41           1HA      GLY  41  10.855   5.725   3.306
  261    HA3  GLY  41           2HA      GLY  41  11.028   7.457   3.545
  262    H    ALA  42           H        ALA  42   7.803   6.630   3.842
  263    HA   ALA  42           HA       ALA  42   7.987   6.752   6.753
  264    HB1  ALA  42           1HB      ALA  42   5.752   7.145   4.789
  265    HB2  ALA  42           2HB      ALA  42   5.415   6.868   6.499
  266    HB3  ALA  42           3HB      ALA  42   6.376   8.263   6.003
  267    H    SER  43           H        SER  43   5.239   5.371   6.748
  268    HA   SER  43           HA       SER  43   6.280   2.705   7.098
  269    HB2  SER  43           2HB      SER  43   3.370   3.424   7.288
  270    HB3  SER  43           1HB      SER  43   4.281   2.226   8.208
  271    HG   SER  43           HG       SER  43   5.408   4.036   9.177
  272    H    VAL  44           H        VAL  44   6.877   2.390   4.856
  273    HA   VAL  44           HA       VAL  44   4.768   2.085   2.915
  274    HB   VAL  44           HB       VAL  44   6.827   2.710   1.952
  275   HG11  VAL  44          1HG1      VAL  44   8.914   1.313   2.266
  276   HG12  VAL  44          2HG1      VAL  44   8.394   2.261   3.659
  277   HG13  VAL  44          3HG1      VAL  44   8.074   0.526   3.602
  278   HG21  VAL  44          3HG2      VAL  44   7.291  -0.070   1.229
  279   HG22  VAL  44          1HG2      VAL  44   5.588   0.384   1.168
  280   HG23  VAL  44          2HG2      VAL  44   6.777   1.290   0.232
  281    H    LYS  45           H        LYS  45   3.383   0.463   3.067
  282    HA   LYS  45           HA       LYS  45   4.357  -2.098   4.149
  283    HB2  LYS  45           2HB      LYS  45   1.505  -1.517   4.556
  284    HB3  LYS  45           1HB      LYS  45   2.680  -2.229   5.651
  285    HG2  LYS  45           2HG      LYS  45   3.154   0.600   5.200
  286    HG3  LYS  45           1HG      LYS  45   1.552   0.271   5.862
  287    HD2  LYS  45           2HD      LYS  45   4.115  -0.819   7.019
  288    HD3  LYS  45           1HD      LYS  45   3.325   0.655   7.583
  289    HE2  LYS  45           2HE      LYS  45   1.854  -0.504   8.789
  290    HE3  LYS  45           1HE      LYS  45   1.461  -1.543   7.423
  291    HZ1  LYS  45           3HZ      LYS  45   2.555  -2.510   9.575
  292    HZ2  LYS  45           1HZ      LYS  45   3.990  -1.991   8.834
  293    HZ3  LYS  45           2HZ      LYS  45   2.983  -3.104   8.041
  294    H    CYS  46           H        CYS  46   2.579  -3.806   3.782
  295    HA   CYS  46           HA       CYS  46   1.463  -3.588   1.073
  296    HB2  CYS  46           2HB      CYS  46   2.990  -5.906   2.271
  297    HB3  CYS  46           1HB      CYS  46   1.986  -6.057   0.834
  298    H    CYS  47           H        CYS  47  -0.684  -3.716   1.277
  299    HA   CYS  47           HA       CYS  47  -1.724  -5.268   3.550
  300    HB2  CYS  47           2HB      CYS  47  -2.027  -2.462   2.926
  301    HB3  CYS  47           1HB      CYS  47  -3.592  -3.266   3.004
  302    H    LYS  48           H        LYS  48  -3.610  -6.377   3.297
  303    HA   LYS  48           HA       LYS  48  -4.367  -7.052   0.605
  304    HB2  LYS  48           2HB      LYS  48  -4.396  -8.471   2.891
  305    HB3  LYS  48           1HB      LYS  48  -6.058  -7.897   2.895
  306    HG2  LYS  48           2HG      LYS  48  -4.745  -9.460   0.675
  307    HG3  LYS  48           1HG      LYS  48  -5.859 -10.108   1.875
  308    HD2  LYS  48           2HD      LYS  48  -7.620  -9.446   0.702
  309    HD3  LYS  48           1HD      LYS  48  -6.978  -7.809   0.545
  310    HE2  LYS  48           2HE      LYS  48  -6.086  -8.211  -1.498
  311    HE3  LYS  48           1HE      LYS  48  -5.670  -9.877  -1.102
  312    HZ1  LYS  48           3HZ      LYS  48  -7.768 -10.619  -1.653
  313    HZ2  LYS  48           1HZ      LYS  48  -7.503  -9.421  -2.822
  314    HZ3  LYS  48           2HZ      LYS  48  -8.486  -9.096  -1.475
  315    H    ASP  49           H        ASP  49  -5.611  -5.763  -0.526
  316    HA   ASP  49           HA       ASP  49  -8.177  -5.031   0.598
  317    HB2  ASP  49           2HB      ASP  49  -7.764  -2.838   0.767
  318    HB3  ASP  49           1HB      ASP  49  -6.109  -3.096   0.235
  319    H    ASP  50           H        ASP  50  -9.539  -5.963  -0.701
  320    HA   ASP  50           HA       ASP  50  -9.063  -5.752  -3.605
  321    HB2  ASP  50           2HB      ASP  50 -10.849  -7.623  -3.708
  322    HB3  ASP  50           1HB      ASP  50  -9.215  -8.050  -3.222
  323    H    VAL  51           H        VAL  51 -10.058  -3.565  -2.226
  324    HA   VAL  51           HA       VAL  51 -12.933  -3.495  -2.583
  325    HB   VAL  51           HB       VAL  51 -11.076  -1.168  -2.053
  326   HG11  VAL  51          1HG1      VAL  51 -13.763  -1.086  -0.943
  327   HG12  VAL  51          2HG1      VAL  51 -12.888   0.122  -1.882
  328   HG13  VAL  51          3HG1      VAL  51 -13.749  -1.179  -2.703
  329   HG21  VAL  51          3HG2      VAL  51 -10.824  -1.807   0.061
  330   HG22  VAL  51          1HG2      VAL  51 -12.560  -2.062   0.246
  331   HG23  VAL  51          2HG2      VAL  51 -11.539  -3.356  -0.381
  332    H    THR  52           H        THR  52 -13.991  -2.829  -4.369
  333    HA   THR  52           HA       THR  52 -12.348  -2.043  -6.664
  334    HB   THR  52           HB       THR  52 -15.031  -2.462  -7.464
  335    HG1  THR  52           1HG      THR  52 -14.207  -4.804  -6.161
  336   HG21  THR  52          3HG2      THR  52 -12.616  -4.265  -7.675
  337   HG22  THR  52          1HG2      THR  52 -13.011  -2.947  -8.778
  338   HG23  THR  52          2HG2      THR  52 -14.067  -4.357  -8.674
  339    H    ASN  53           H        ASN  53 -12.948  -0.103  -4.642
  340    HA   ASN  53           HA       ASN  53 -14.176   1.914  -6.331
  341    HB2  ASN  53           2HB      ASN  53 -15.547   0.751  -4.048
  342    HB3  ASN  53           1HB      ASN  53 -15.279   2.477  -3.817
  343   HD21  ASN  53          1HD2      ASN  53 -16.197   3.951  -5.309
  344   HD22  ASN  53          2HD2      ASN  53 -17.532   3.483  -6.313
  345    H    THR  54           H        THR  54 -13.126   3.822  -6.131
  346    HA   THR  54           HA       THR  54 -11.510   4.254  -3.701
  347    HB   THR  54           HB       THR  54 -10.291   5.352  -6.119
  348    HG1  THR  54           1HG      THR  54 -11.223   2.850  -6.266
  349   HG21  THR  54          3HG2      THR  54  -8.299   4.710  -5.080
  350   HG22  THR  54          1HG2      THR  54  -9.072   3.393  -4.196
  351   HG23  THR  54          2HG2      THR  54  -9.367   5.065  -3.722
  352    H    GLY  55           H        GLY  55 -11.240   6.388  -3.082
  353    HA2  GLY  55           1HA      GLY  55 -11.783   8.705  -4.417
  354    HA3  GLY  55           2HA      GLY  55 -13.356   8.154  -3.851
  355    H    ASN  56           H        ASN  56 -10.101   8.105  -2.448
  356    HA   ASN  56           HA       ASN  56 -11.119   9.579  -0.122
  357    HB2  ASN  56           2HB      ASN  56 -10.488   6.792  -0.215
  358    HB3  ASN  56           1HB      ASN  56  -9.278   7.598   0.774
  359   HD21  ASN  56          1HD2      ASN  56  -9.850   6.993   2.745
  360   HD22  ASN  56          2HD2      ASN  56 -11.397   7.300   3.459
  361    H    SER  57           H        SER  57  -9.382  10.483   1.204
  362    HA   SER  57           HA       SER  57  -7.142  11.397  -0.337
  363    HB2  SER  57           2HB      SER  57  -6.790  12.003   2.412
  364    HB3  SER  57           1HB      SER  57  -7.374  13.079   1.139
  365    HG   SER  57           HG       SER  57  -8.975  12.996   2.668
  366    H    GLY  58           H        GLY  58  -7.826   8.840   1.811
  367    HA2  GLY  58           1HA      GLY  58  -5.370   7.524   1.264
  368    HA3  GLY  58           2HA      GLY  58  -5.413   8.128   2.920
  369    H    LEU  59           H        LEU  59  -5.307   5.374   2.272
  370    HA   LEU  59           HA       LEU  59  -8.032   4.441   2.784
  371    HB2  LEU  59           2HB      LEU  59  -5.968   3.428   1.228
  372    HB3  LEU  59           1HB      LEU  59  -5.977   2.387   2.638
  373    HG   LEU  59           HG       LEU  59  -8.648   2.848   1.544
  374   HD11  LEU  59          1HD1      LEU  59  -7.197   0.966  -0.156
  375   HD12  LEU  59          2HD1      LEU  59  -8.429   2.157  -0.569
  376   HD13  LEU  59          3HD1      LEU  59  -6.747   2.652  -0.399
  377   HD21  LEU  59          3HD2      LEU  59  -8.209   1.181   3.239
  378   HD22  LEU  59          1HD2      LEU  59  -8.735   0.392   1.752
  379   HD23  LEU  59          2HD2      LEU  59  -7.028   0.387   2.195
  380    H    ILE  60           H        ILE  60  -8.675   3.978   4.760
  381    HA   ILE  60           HA       ILE  60  -6.825   4.089   6.961
  382    HB   ILE  60           HB       ILE  60  -9.737   3.311   7.119
  383   HG12  ILE  60          2HG1      ILE  60  -9.360   6.053   7.790
  384   HG13  ILE  60          1HG1      ILE  60  -8.645   5.789   6.203
  385   HG21  ILE  60          1HG2      ILE  60  -8.884   2.952   9.213
  386   HG22  ILE  60          2HG2      ILE  60  -7.656   4.207   9.050
  387   HG23  ILE  60          3HG2      ILE  60  -9.336   4.651   9.350
  388   HD11  ILE  60          3HD1      ILE  60 -10.667   5.207   5.253
  389   HD12  ILE  60          1HD1      ILE  60 -11.390   4.780   6.803
  390   HD13  ILE  60          2HD1      ILE  60 -11.129   6.473   6.390
  391    H    ILE  61           H        ILE  61  -5.497   2.372   6.913
  392    HA   ILE  61           HA       ILE  61  -6.620  -0.309   6.628
  393    HB   ILE  61           HB       ILE  61  -4.019   0.944   6.122
  394   HG12  ILE  61          2HG1      ILE  61  -4.304  -1.573   4.861
  395   HG13  ILE  61          1HG1      ILE  61  -5.899  -0.826   4.879
  396   HG21  ILE  61          1HG2      ILE  61  -2.714  -1.128   6.478
  397   HG22  ILE  61          2HG2      ILE  61  -3.251  -0.369   7.978
  398   HG23  ILE  61          3HG2      ILE  61  -4.085  -1.798   7.364
  399   HD11  ILE  61          3HD1      ILE  61  -3.836   1.045   4.101
  400   HD12  ILE  61          1HD1      ILE  61  -3.883  -0.376   3.056
  401   HD13  ILE  61          2HD1      ILE  61  -5.334   0.600   3.283
  402    H    ASN  62           H        ASN  62  -6.741  -1.746   8.285
  403    HA   ASN  62           HA       ASN  62  -6.453  -0.591  10.931
  404    HB2  ASN  62           2HB      ASN  62  -8.457  -1.991   9.991
  405    HB3  ASN  62           1HB      ASN  62  -7.465  -3.366  10.470
  406   HD21  ASN  62          1HD2      ASN  62  -9.251  -3.805  11.920
  407   HD22  ASN  62          2HD2      ASN  62  -9.314  -3.007  13.457
  408    H    ALA  63           H        ALA  63  -4.207  -1.780   9.161
  409    HA   ALA  63           HA       ALA  63  -2.111  -2.507   9.605
  410    HB1  ALA  63           1HB      ALA  63  -1.332  -2.010  11.612
  411    HB2  ALA  63           2HB      ALA  63  -2.992  -1.685  12.113
  412    HB3  ALA  63           3HB      ALA  63  -2.289  -3.282  12.370
  413    H    ALA  64           H        ALA  64  -4.626  -4.454  11.187
  414    HA   ALA  64           HA       ALA  64  -3.068  -6.861  11.139
  415    HB1  ALA  64           1HB      ALA  64  -4.727  -6.447  12.880
  416    HB2  ALA  64           2HB      ALA  64  -6.011  -6.472  11.669
  417    HB3  ALA  64           3HB      ALA  64  -5.083  -7.936  12.000
  418    H    ASN  65           H        ASN  65  -3.952  -5.375   8.565
  419    HA   ASN  65           HA       ASN  65  -4.604  -7.866   7.146
  420    HB2  ASN  65           2HB      ASN  65  -5.899  -6.615   5.496
  421    HB3  ASN  65           1HB      ASN  65  -6.564  -6.339   7.102
  422   HD21  ASN  65          1HD2      ASN  65  -6.145  -4.847   4.349
  423   HD22  ASN  65          2HD2      ASN  65  -5.790  -3.240   4.880
  424    H    CYS  66           H        CYS  66  -2.164  -6.222   7.908
  425    HA   CYS  66           HA       CYS  66  -1.027  -5.883   5.212
  426    HB2  CYS  66           2HB      CYS  66  -0.862  -4.288   7.660
  427    HB3  CYS  66           1HB      CYS  66   0.720  -4.660   6.984
  428    H    VAL  67           H        VAL  67   0.828  -6.982   4.701
  429    HA   VAL  67           HA       VAL  67   1.754  -8.961   6.651
  430    HB   VAL  67           HB       VAL  67   3.228  -9.640   4.588
  431   HG11  VAL  67          1HG1      VAL  67   0.871 -10.688   3.696
  432   HG12  VAL  67          2HG1      VAL  67   1.839 -11.334   5.018
  433   HG13  VAL  67          3HG1      VAL  67   0.482 -10.261   5.361
  434   HG21  VAL  67          3HG2      VAL  67   0.960  -8.634   2.963
  435   HG22  VAL  67          1HG2      VAL  67   2.210  -7.474   3.422
  436   HG23  VAL  67          2HG2      VAL  67   2.640  -8.925   2.511
  437    H    ALA  68           H        ALA  68   2.689  -6.009   5.178
  438    HA   ALA  68           HA       ALA  68   5.370  -6.236   6.361
  439    HB1  ALA  68           1HB      ALA  68   5.398  -6.249   3.871
  440    HB2  ALA  68           2HB      ALA  68   4.653  -4.652   3.894
  441    HB3  ALA  68           3HB      ALA  68   6.261  -4.884   4.577
  Start of MODEL   12
    1    H1   SER   1           1H       SER   1  17.190   6.130   3.331
    2    H2   SER   1           2H       SER   1  17.095   6.310   5.014
    3    H3   SER   1           3H       SER   1  16.278   7.391   4.000
    4    HA   SER   1           HA       SER   1  15.676   4.530   3.859
    5    HB2  SER   1           2HB      SER   1  13.974   6.151   5.649
    6    HB3  SER   1           1HB      SER   1  14.508   4.476   5.808
    7    HG   SER   1           HG       SER   1  15.464   5.770   7.412
    8    H    ALA   2           H        ALA   2  15.366   5.284   1.647
    9    HA   ALA   2           HA       ALA   2  12.666   6.354   1.293
   10    HB1  ALA   2           1HB      ALA   2  14.886   7.958   0.877
   11    HB2  ALA   2           2HB      ALA   2  14.457   7.392  -0.738
   12    HB3  ALA   2           3HB      ALA   2  13.261   8.233   0.248
   13    H    THR   3           H        THR   3  12.154   4.190   0.814
   14    HA   THR   3           HA       THR   3  13.481   2.638  -1.131
   15    HB   THR   3           HB       THR   3  10.628   2.069  -0.791
   16    HG1  THR   3           1HG      THR   3  11.044   1.493   1.500
   17   HG21  THR   3          3HG2      THR   3  12.061   0.036   0.360
   18   HG22  THR   3          1HG2      THR   3  13.210   0.684  -0.812
   19   HG23  THR   3          2HG2      THR   3  11.623   0.129  -1.344
   20    H    THR   4           H        THR   4  13.329   2.582  -3.288
   21    HA   THR   4           HA       THR   4  11.678   4.483  -4.687
   22    HB   THR   4           HB       THR   4  13.168   2.262  -6.052
   23    HG1  THR   4           1HG      THR   4  14.969   2.923  -5.166
   24   HG21  THR   4          3HG2      THR   4  12.643   3.491  -7.834
   25   HG22  THR   4          1HG2      THR   4  13.627   4.805  -7.189
   26   HG23  THR   4          2HG2      THR   4  11.907   4.720  -6.804
   27    H    ILE   5           H        ILE   5   9.587   4.105  -4.980
   28    HA   ILE   5           HA       ILE   5   8.546   1.453  -4.600
   29    HB   ILE   5           HB       ILE   5   6.926   3.871  -5.360
   30   HG12  ILE   5          2HG1      ILE   5   7.565   3.008  -2.538
   31   HG13  ILE   5          1HG1      ILE   5   8.484   4.259  -3.371
   32   HG21  ILE   5          1HG2      ILE   5   6.380   1.186  -4.183
   33   HG22  ILE   5          2HG2      ILE   5   5.337   2.543  -3.758
   34   HG23  ILE   5          3HG2      ILE   5   5.516   2.063  -5.447
   35   HD11  ILE   5          3HD1      ILE   5   5.938   5.128  -3.735
   36   HD12  ILE   5          1HD1      ILE   5   5.832   4.363  -2.147
   37   HD13  ILE   5          2HD1      ILE   5   7.009   5.645  -2.433
   38    H    GLY   6           H        GLY   6   7.981   0.043  -6.039
   39    HA2  GLY   6           1HA      GLY   6   6.955   0.928  -8.640
   40    HA3  GLY   6           2HA      GLY   6   8.187  -0.333  -8.586
   41    HA   PRO   7           HA       PRO   7   3.667  -1.855  -7.636
   42    HB2  PRO   7           2HB      PRO   7   2.977  -2.814 -10.103
   43    HB3  PRO   7           1HB      PRO   7   2.541  -1.207  -9.511
   44    HG2  PRO   7           2HG      PRO   7   4.793  -2.016 -11.310
   45    HG3  PRO   7           1HG      PRO   7   3.691  -0.634 -11.450
   46    HD2  PRO   7           2HD      PRO   7   6.179  -0.347 -10.493
   47    HD3  PRO   7           1HD      PRO   7   4.818   0.591  -9.841
   48    H    ASN   8           H        ASN   8   6.594  -2.967  -8.794
   49    HA   ASN   8           HA       ASN   8   5.878  -5.751  -9.086
   50    HB2  ASN   8           2HB      ASN   8   8.409  -6.036  -9.253
   51    HB3  ASN   8           1HB      ASN   8   7.643  -5.074 -10.509
   52   HD21  ASN   8          1HD2      ASN   8   9.730  -4.179 -10.897
   53   HD22  ASN   8          2HD2      ASN   8  10.340  -2.905  -9.891
   54    H    THR   9           H        THR   9   6.371  -3.752  -6.487
   55    HA   THR   9           HA       THR   9   7.893  -5.360  -4.732
   56    HB   THR   9           HB       THR   9   6.419  -4.001  -2.982
   57    HG1  THR   9           1HG      THR   9   6.218  -2.252  -5.193
   58   HG21  THR   9          3HG2      THR   9   8.727  -3.547  -3.157
   59   HG22  THR   9          1HG2      THR   9   7.935  -1.999  -3.451
   60   HG23  THR   9          2HG2      THR   9   8.566  -2.939  -4.804
   61    H    CYS  10           H        CYS  10   4.504  -4.615  -4.130
   62    HA   CYS  10           HA       CYS  10   4.039  -7.446  -3.488
   63    HB2  CYS  10           2HB      CYS  10   1.907  -5.717  -2.632
   64    HB3  CYS  10           1HB      CYS  10   2.970  -6.727  -1.656
   65    H    SER  11           H        SER  11   2.612  -8.590  -4.701
   66    HA   SER  11           HA       SER  11   0.531  -7.456  -6.248
   67    HB2  SER  11           2HB      SER  11   2.130  -8.503  -8.349
   68    HB3  SER  11           1HB      SER  11   1.600  -6.836  -8.130
   69    HG   SER  11           HG       SER  11   3.504  -6.313  -7.287
   70    H    ILE  12           H        ILE  12   0.493  -9.491  -4.501
   71    HA   ILE  12           HA       ILE  12   0.280 -11.890  -6.192
   72    HB   ILE  12           HB       ILE  12   0.742 -12.706  -3.501
   73   HG12  ILE  12          2HG1      ILE  12   3.318 -11.621  -4.178
   74   HG13  ILE  12          1HG1      ILE  12   2.144 -10.314  -4.081
   75   HG21  ILE  12          1HG2      ILE  12   1.129 -13.945  -5.631
   76   HG22  ILE  12          2HG2      ILE  12   2.565 -12.952  -5.883
   77   HG23  ILE  12          3HG2      ILE  12   2.469 -14.027  -4.487
   78   HD11  ILE  12          3HD1      ILE  12   3.511 -11.357  -1.981
   79   HD12  ILE  12          1HD1      ILE  12   1.993 -10.463  -1.862
   80   HD13  ILE  12          2HD1      ILE  12   1.980 -12.227  -1.882
   81    H    ASP  13           H        ASP  13  -0.403 -11.643  -2.768
   82    HA   ASP  13           HA       ASP  13  -3.088 -12.617  -3.168
   83    HB2  ASP  13           2HB      ASP  13  -1.734 -13.459  -1.321
   84    HB3  ASP  13           1HB      ASP  13  -1.554 -11.830  -0.679
   85    H    ASP  14           H        ASP  14  -3.182 -10.390  -4.477
   86    HA   ASP  14           HA       ASP  14  -3.920  -8.261  -4.725
   87    HB2  ASP  14           2HB      ASP  14  -5.848  -9.652  -3.242
   88    HB3  ASP  14           1HB      ASP  14  -5.677  -8.098  -2.427
   89    H    TYR  15           H        TYR  15  -1.672  -8.809  -2.916
   90    HA   TYR  15           HA       TYR  15  -1.692  -6.720  -0.946
   91    HB2  TYR  15           2HB      TYR  15   0.394  -8.590  -2.042
   92    HB3  TYR  15           1HB      TYR  15   0.884  -7.204  -1.085
   93    HD1  TYR  15           1HD      TYR  15  -0.427  -6.991   1.234
   94    HD2  TYR  15           2HD      TYR  15   0.086 -10.596  -0.952
   95    HE1  TYR  15           1HE      TYR  15  -0.757  -8.283   3.300
   96    HE2  TYR  15           2HE      TYR  15  -0.248 -11.901   1.105
   97    HH   TYR  15           HH       TYR  15  -1.375 -11.584   3.336
   98    H    LYS  16           H        LYS  16  -1.323  -4.627  -1.367
   99    HA   LYS  16           HA       LYS  16  -0.010  -3.977  -3.926
  100    HB2  LYS  16           2HB      LYS  16  -2.066  -2.244  -2.547
  101    HB3  LYS  16           1HB      LYS  16  -1.439  -2.076  -4.180
  102    HG2  LYS  16           2HG      LYS  16  -2.532  -4.202  -4.792
  103    HG3  LYS  16           1HG      LYS  16  -3.212  -4.292  -3.166
  104    HD2  LYS  16           2HD      LYS  16  -4.582  -2.416  -3.520
  105    HD3  LYS  16           1HD      LYS  16  -3.667  -1.911  -4.942
  106    HE2  LYS  16           2HE      LYS  16  -5.571  -2.835  -5.885
  107    HE3  LYS  16           1HE      LYS  16  -4.432  -4.180  -5.934
  108    HZ1  LYS  16           3HZ      LYS  16  -6.159  -5.266  -4.999
  109    HZ2  LYS  16           1HZ      LYS  16  -6.863  -3.855  -4.359
  110    HZ3  LYS  16           2HZ      LYS  16  -5.558  -4.588  -3.571
  111    HA   PRO  17           HA       PRO  17   3.005  -1.815  -1.500
  112    HB2  PRO  17           2HB      PRO  17   3.723   0.129  -3.289
  113    HB3  PRO  17           1HB      PRO  17   4.300  -1.538  -3.374
  114    HG2  PRO  17           2HG      PRO  17   2.098  -0.215  -4.894
  115    HG3  PRO  17           1HG      PRO  17   3.317  -1.363  -5.465
  116    HD2  PRO  17           2HD      PRO  17   0.780  -2.114  -4.918
  117    HD3  PRO  17           1HD      PRO  17   2.162  -3.193  -4.637
  118    H    TYR  18           H        TYR  18   2.355  -0.613   0.153
  119    HA   TYR  18           HA       TYR  18   0.836   1.837  -0.419
  120    HB2  TYR  18           2HB      TYR  18   0.365  -0.282   1.658
  121    HB3  TYR  18           1HB      TYR  18  -0.225   1.361   1.888
  122    HD1  TYR  18           1HD      TYR  18  -1.427   2.255  -0.446
  123    HD2  TYR  18           2HD      TYR  18  -1.221  -1.757   0.947
  124    HE1  TYR  18           1HE      TYR  18  -3.426   1.703  -1.754
  125    HE2  TYR  18           2HE      TYR  18  -3.219  -2.321  -0.361
  126    HH   TYR  18           HH       TYR  18  -5.347  -0.531  -1.338
  127    H    CYS  19           H        CYS  19   1.532   3.639   0.534
  128    HA   CYS  19           HA       CYS  19   3.733   3.413   2.470
  129    HB2  CYS  19           2HB      CYS  19   3.501   4.970   0.188
  130    HB3  CYS  19           1HB      CYS  19   3.126   6.100   1.485
  131    H    CYS  20           H        CYS  20   2.438   2.977   4.252
  132    HA   CYS  20           HA       CYS  20   0.161   4.488   4.969
  133    HB2  CYS  20           2HB      CYS  20   1.769   2.331   6.146
  134    HB3  CYS  20           1HB      CYS  20   1.023   3.399   7.330
  135    H    GLN  21           H        GLN  21   0.116   6.508   5.611
  136    HA   GLN  21           HA       GLN  21   2.482   7.727   6.810
  137    HB2  GLN  21           2HB      GLN  21  -0.091   8.807   5.684
  138    HB3  GLN  21           1HB      GLN  21   0.963   9.815   6.664
  139    HG2  GLN  21           2HG      GLN  21   1.969   8.364   4.243
  140    HG3  GLN  21           1HG      GLN  21   1.208   9.949   4.135
  141   HE21  GLN  21          1HE2      GLN  21   3.073  10.916   3.392
  142   HE22  GLN  21          2HE2      GLN  21   4.446  11.207   4.411
  143    H    SER  22           H        SER  22   2.683   7.517   8.926
  144    HA   SER  22           HA       SER  22   0.293   7.575  10.628
  145    HB2  SER  22           2HB      SER  22   2.663   6.982  12.109
  146    HB3  SER  22           1HB      SER  22   1.307   5.913  11.746
  147    HG   SER  22           HG       SER  22   3.249   5.052  10.924
  148    H    MET  23           H        MET  23  -0.074   9.285  11.924
  149    HA   MET  23           HA       MET  23   1.616  11.598  11.580
  150    HB2  MET  23           2HB      MET  23  -0.874  11.245  13.261
  151    HB3  MET  23           1HB      MET  23  -0.101  12.777  12.877
  152    HG2  MET  23           2HG      MET  23  -1.420  12.924  11.112
  153    HG3  MET  23           1HG      MET  23  -0.563  11.550  10.415
  154    HE1  MET  23           3HE      MET  23  -1.558   9.716   9.600
  155    HE2  MET  23           1HE      MET  23  -3.205   9.138   9.850
  156    HE3  MET  23           2HE      MET  23  -2.924  10.656   8.995
  157    H    SER  24           H        SER  24   0.416   9.791  14.391
  158    HA   SER  24           HA       SER  24   2.970   9.934  15.691
  159    HB2  SER  24           2HB      SER  24   1.580  10.978  17.768
  160    HB3  SER  24           1HB      SER  24   2.524  11.960  16.648
  161    HG   SER  24           HG       SER  24   0.726  12.653  15.688
  162    H    GLY  25           H        GLY  25  -0.106   9.864  17.381
  163    HA2  GLY  25           1HA      GLY  25   0.359   7.064  18.082
  164    HA3  GLY  25           2HA      GLY  25  -0.822   8.141  18.822
  165    H    SER  26           H        SER  26  -0.130   6.908  15.558
  166    HA   SER  26           HA       SER  26  -2.992   6.780  15.040
  167    HB2  SER  26           2HB      SER  26  -0.739   6.229  13.102
  168    HB3  SER  26           1HB      SER  26  -2.417   6.619  12.721
  169    HG   SER  26           HG       SER  26  -2.075   8.690  13.626
  170    H    ALA  27           H        ALA  27  -4.044   4.971  15.469
  171    HA   ALA  27           HA       ALA  27  -2.672   2.404  15.524
  172    HB1  ALA  27           1HB      ALA  27  -4.210   2.357  17.210
  173    HB2  ALA  27           2HB      ALA  27  -5.332   3.424  16.366
  174    HB3  ALA  27           3HB      ALA  27  -5.224   1.723  15.913
  175    H    SER  28           H        SER  28  -5.517   3.779  13.877
  176    HA   SER  28           HA       SER  28  -5.293   1.905  11.699
  177    HB2  SER  28           2HB      SER  28  -6.953   4.241  11.185
  178    HB3  SER  28           1HB      SER  28  -7.412   2.540  11.271
  179    HG   SER  28           HG       SER  28  -7.939   2.749  13.328
  180    H    LEU  29           H        LEU  29  -4.099   2.195   9.909
  181    HA   LEU  29           HA       LEU  29  -2.621   4.727   9.740
  182    HB2  LEU  29           2HB      LEU  29  -1.408   2.792   8.092
  183    HB3  LEU  29           1HB      LEU  29  -0.808   3.464   9.595
  184    HG   LEU  29           HG       LEU  29  -2.447   1.580  10.594
  185   HD11  LEU  29          1HD1      LEU  29  -2.525  -0.374   9.305
  186   HD12  LEU  29          2HD1      LEU  29  -2.976   0.910   8.183
  187   HD13  LEU  29          3HD1      LEU  29  -1.346   0.237   8.145
  188   HD21  LEU  29          3HD2      LEU  29  -0.524   0.405  11.146
  189   HD22  LEU  29          1HD2      LEU  29   0.263   0.772   9.612
  190   HD23  LEU  29          2HD2      LEU  29   0.084   2.031  10.837
  191    H    GLY  30           H        GLY  30  -2.584   5.926   7.919
  192    HA2  GLY  30           1HA      GLY  30  -4.467   5.232   5.809
  193    HA3  GLY  30           2HA      GLY  30  -3.643   6.773   6.009
  194    H    CYS  31           H        CYS  31  -3.617   3.740   4.461
  195    HA   CYS  31           HA       CYS  31  -0.856   3.989   3.579
  196    HB2  CYS  31           2HB      CYS  31  -2.808   1.829   3.867
  197    HB3  CYS  31           1HB      CYS  31  -1.899   1.753   2.360
  198    H    VAL  32           H        VAL  32  -0.741   5.532   2.023
  199    HA   VAL  32           HA       VAL  32  -2.648   5.584  -0.154
  200    HB   VAL  32           HB       VAL  32  -0.551   7.153  -0.998
  201   HG11  VAL  32          1HG1      VAL  32  -2.664   8.260   0.807
  202   HG12  VAL  32          2HG1      VAL  32  -1.993   8.940  -0.675
  203   HG13  VAL  32          3HG1      VAL  32  -3.087   7.558  -0.754
  204   HG21  VAL  32          3HG2      VAL  32   0.783   7.080   0.918
  205   HG22  VAL  32          1HG2      VAL  32  -0.129   8.577   1.099
  206   HG23  VAL  32          2HG2      VAL  32  -0.607   7.141   2.004
  207    H    VAL  33           H        VAL  33  -2.090   5.204  -2.361
  208    HA   VAL  33           HA       VAL  33  -0.703   2.778  -2.730
  209    HB   VAL  33           HB       VAL  33  -1.477   4.760  -4.877
  210   HG11  VAL  33          1HG1      VAL  33  -0.393   2.032  -4.898
  211   HG12  VAL  33          2HG1      VAL  33  -1.795   2.277  -5.938
  212   HG13  VAL  33          3HG1      VAL  33  -0.358   3.279  -6.147
  213   HG21  VAL  33          3HG2      VAL  33  -3.415   2.871  -4.925
  214   HG22  VAL  33          1HG2      VAL  33  -3.093   2.976  -3.195
  215   HG23  VAL  33          2HG2      VAL  33  -3.556   4.421  -4.094
  216    H    GLY  34           H        GLY  34   1.329   2.323  -3.262
  217    HA2  GLY  34           1HA      GLY  34   3.392   4.226  -3.139
  218    HA3  GLY  34           2HA      GLY  34   3.545   2.588  -3.750
  219    H    VAL  35           H        VAL  35   3.880   5.746  -4.545
  220    HA   VAL  35           HA       VAL  35   2.904   5.652  -7.246
  221    HB   VAL  35           HB       VAL  35   4.875   7.737  -6.560
  222   HG11  VAL  35          1HG1      VAL  35   3.480   9.117  -7.816
  223   HG12  VAL  35          2HG1      VAL  35   3.324   7.545  -8.603
  224   HG13  VAL  35          3HG1      VAL  35   2.060   8.117  -7.514
  225   HG21  VAL  35          3HG2      VAL  35   3.450   7.200  -4.437
  226   HG22  VAL  35          1HG2      VAL  35   3.692   8.873  -4.939
  227   HG23  VAL  35          2HG2      VAL  35   2.179   8.050  -5.315
  228    H    ILE  36           H        ILE  36   3.947   4.902  -8.942
  229    HA   ILE  36           HA       ILE  36   6.474   3.655  -8.762
  230    HB   ILE  36           HB       ILE  36   5.291   4.491 -11.390
  231   HG12  ILE  36          2HG1      ILE  36   4.251   1.946 -10.680
  232   HG13  ILE  36          1HG1      ILE  36   3.888   3.041  -9.350
  233   HG21  ILE  36          1HG2      ILE  36   6.136   1.754 -11.155
  234   HG22  ILE  36          2HG2      ILE  36   6.737   3.026 -12.219
  235   HG23  ILE  36          3HG2      ILE  36   7.408   2.843 -10.598
  236   HD11  ILE  36          3HD1      ILE  36   3.209   4.537 -11.527
  237   HD12  ILE  36          1HD1      ILE  36   2.766   2.907 -12.034
  238   HD13  ILE  36          2HD1      ILE  36   2.095   3.582 -10.549
  239    H    GLY  37           H        GLY  37   8.367   4.657  -8.640
  240    HA2  GLY  37           1HA      GLY  37  10.095   6.015  -9.508
  241    HA3  GLY  37           2HA      GLY  37   8.887   6.944 -10.387
  242    H    SER  38           H        SER  38   8.371   6.185  -7.058
  243    HA   SER  38           HA       SER  38   9.330   8.826  -6.233
  244    HB2  SER  38           2HB      SER  38   6.706   7.669  -5.283
  245    HB3  SER  38           1HB      SER  38   7.326   9.302  -5.026
  246    HG   SER  38           HG       SER  38   7.222   8.712  -7.663
  247    H    GLN  39           H        GLN  39   9.053   8.865  -3.643
  248    HA   GLN  39           HA       GLN  39  10.462   6.421  -2.784
  249    HB2  GLN  39           2HB      GLN  39  10.796   9.118  -1.506
  250    HB3  GLN  39           1HB      GLN  39  11.866   7.725  -1.425
  251    HG2  GLN  39           2HG      GLN  39  11.442   8.767  -4.129
  252    HG3  GLN  39           1HG      GLN  39  12.230   9.890  -3.022
  253   HE21  GLN  39          1HE2      GLN  39  12.385   6.550  -4.185
  254   HE22  GLN  39          2HE2      GLN  39  14.104   6.412  -4.076
  255    H    CYS  40           H        CYS  40   9.781   5.353  -1.035
  256    HA   CYS  40           HA       CYS  40   7.417   6.302   0.377
  257    HB2  CYS  40           2HB      CYS  40   8.486   3.757  -0.292
  258    HB3  CYS  40           1HB      CYS  40   8.475   3.864   1.463
  259    H    GLY  41           H        GLY  41   7.982   7.883   1.796
  260    HA2  GLY  41           1HA      GLY  41  10.359   7.469   3.468
  261    HA3  GLY  41           2HA      GLY  41   9.558   9.007   3.190
  262    H    ALA  42           H        ALA  42   7.390   6.460   3.800
  263    HA   ALA  42           HA       ALA  42   7.147   7.350   6.596
  264    HB1  ALA  42           1HB      ALA  42   5.215   7.260   4.494
  265    HB2  ALA  42           2HB      ALA  42   4.725   6.156   5.780
  266    HB3  ALA  42           3HB      ALA  42   5.034   7.854   6.145
  267    H    SER  43           H        SER  43   5.106   4.809   5.685
  268    HA   SER  43           HA       SER  43   6.985   2.804   6.730
  269    HB2  SER  43           2HB      SER  43   4.082   2.324   7.097
  270    HB3  SER  43           1HB      SER  43   5.429   1.965   8.177
  271    HG   SER  43           HG       SER  43   4.155   4.472   7.758
  272    H    VAL  44           H        VAL  44   7.468   1.326   5.239
  273    HA   VAL  44           HA       VAL  44   5.903   1.099   2.820
  274    HB   VAL  44           HB       VAL  44   8.238  -0.628   3.670
  275   HG11  VAL  44          1HG1      VAL  44   7.828  -0.002   0.840
  276   HG12  VAL  44          2HG1      VAL  44   8.189  -1.542   1.620
  277   HG13  VAL  44          3HG1      VAL  44   6.528  -0.948   1.565
  278   HG21  VAL  44          3HG2      VAL  44   8.857   1.749   3.737
  279   HG22  VAL  44          1HG2      VAL  44   9.671   0.894   2.426
  280   HG23  VAL  44          2HG2      VAL  44   8.290   1.934   2.077
  281    H    LYS  45           H        LYS  45   3.991   0.121   3.080
  282    HA   LYS  45           HA       LYS  45   3.954  -2.435   4.531
  283    HB2  LYS  45           2HB      LYS  45   2.095  -0.116   4.527
  284    HB3  LYS  45           1HB      LYS  45   1.384  -1.718   4.646
  285    HG2  LYS  45           2HG      LYS  45   3.106  -0.257   6.578
  286    HG3  LYS  45           1HG      LYS  45   1.635  -1.194   6.854
  287    HD2  LYS  45           2HD      LYS  45   2.782  -3.092   7.185
  288    HD3  LYS  45           1HD      LYS  45   3.842  -2.788   5.806
  289    HE2  LYS  45           2HE      LYS  45   4.565  -0.892   7.712
  290    HE3  LYS  45           1HE      LYS  45   4.319  -2.381   8.616
  291    HZ1  LYS  45           3HZ      LYS  45   5.985  -2.254   6.171
  292    HZ2  LYS  45           1HZ      LYS  45   5.926  -3.498   7.328
  293    HZ3  LYS  45           2HZ      LYS  45   6.618  -2.000   7.725
  294    H    CYS  46           H        CYS  46   3.908  -4.017   3.066
  295    HA   CYS  46           HA       CYS  46   2.288  -3.848   0.679
  296    HB2  CYS  46           2HB      CYS  46   3.925  -6.030   1.965
  297    HB3  CYS  46           1HB      CYS  46   2.832  -6.387   0.633
  298    H    CYS  47           H        CYS  47   0.185  -3.539   1.299
  299    HA   CYS  47           HA       CYS  47  -0.927  -5.430   3.264
  300    HB2  CYS  47           2HB      CYS  47  -2.062  -2.760   2.414
  301    HB3  CYS  47           1HB      CYS  47  -2.635  -3.778   3.729
  302    H    LYS  48           H        LYS  48  -2.791  -6.551   2.812
  303    HA   LYS  48           HA       LYS  48  -3.476  -6.760   0.011
  304    HB2  LYS  48           2HB      LYS  48  -5.084  -8.527   0.829
  305    HB3  LYS  48           1HB      LYS  48  -3.386  -8.852   1.130
  306    HG2  LYS  48           2HG      LYS  48  -3.624  -8.240   3.444
  307    HG3  LYS  48           1HG      LYS  48  -5.295  -7.739   3.175
  308    HD2  LYS  48           2HD      LYS  48  -4.207 -10.537   2.862
  309    HD3  LYS  48           1HD      LYS  48  -5.201  -9.955   4.197
  310    HE2  LYS  48           2HE      LYS  48  -6.979 -10.605   3.026
  311    HE3  LYS  48           1HE      LYS  48  -6.633  -9.286   1.909
  312    HZ1  LYS  48           3HZ      LYS  48  -6.264 -12.133   1.572
  313    HZ2  LYS  48           1HZ      LYS  48  -4.947 -11.202   1.053
  314    HZ3  LYS  48           2HZ      LYS  48  -6.491 -10.925   0.408
  315    H    ASP  49           H        ASP  49  -5.063  -5.742  -0.927
  316    HA   ASP  49           HA       ASP  49  -6.487  -3.754   0.568
  317    HB2  ASP  49           2HB      ASP  49  -5.668  -3.077  -1.542
  318    HB3  ASP  49           1HB      ASP  49  -6.327  -4.495  -2.344
  319    H    ASP  50           H        ASP  50  -7.773  -4.985   1.927
  320    HA   ASP  50           HA       ASP  50 -10.084  -6.296   0.647
  321    HB2  ASP  50           2HB      ASP  50  -8.382  -7.294   2.596
  322    HB3  ASP  50           1HB      ASP  50  -9.765  -6.732   3.526
  323    H    VAL  51           H        VAL  51  -9.237  -3.438   1.699
  324    HA   VAL  51           HA       VAL  51 -11.670  -2.921   3.268
  325    HB   VAL  51           HB       VAL  51  -9.431  -2.524   4.391
  326   HG11  VAL  51          1HG1      VAL  51  -8.010  -1.579   2.855
  327   HG12  VAL  51          2HG1      VAL  51  -9.247  -0.501   2.209
  328   HG13  VAL  51          3HG1      VAL  51  -8.516  -0.165   3.778
  329   HG21  VAL  51          3HG2      VAL  51 -11.687  -0.639   4.215
  330   HG22  VAL  51          1HG2      VAL  51 -11.005  -1.474   5.611
  331   HG23  VAL  51          2HG2      VAL  51 -10.223  -0.025   4.982
  332    H    THR  52           H        THR  52 -11.385  -3.070   0.373
  333    HA   THR  52           HA       THR  52 -11.437  -0.437  -0.730
  334    HB   THR  52           HB       THR  52 -12.733  -2.491  -2.333
  335    HG1  THR  52           1HG      THR  52 -10.028  -3.004  -1.581
  336   HG21  THR  52          3HG2      THR  52 -10.304  -0.733  -2.575
  337   HG22  THR  52          1HG2      THR  52 -11.841  -0.603  -3.432
  338   HG23  THR  52          2HG2      THR  52 -10.729  -1.920  -3.808
  339    H    ASN  53           H        ASN  53 -13.263  -0.543   1.370
  340    HA   ASN  53           HA       ASN  53 -15.888  -0.526   0.054
  341    HB2  ASN  53           2HB      ASN  53 -15.275  -1.678   2.384
  342    HB3  ASN  53           1HB      ASN  53 -15.600  -0.056   2.986
  343   HD21  ASN  53          1HD2      ASN  53 -16.997  -2.576   0.925
  344   HD22  ASN  53          2HD2      ASN  53 -18.640  -2.279   1.382
  345    H    THR  54           H        THR  54 -13.407   1.449   1.318
  346    HA   THR  54           HA       THR  54 -14.941   3.845   1.622
  347    HB   THR  54           HB       THR  54 -12.044   4.063   1.051
  348    HG1  THR  54           1HG      THR  54 -11.730   2.284   2.231
  349   HG21  THR  54          3HG2      THR  54 -12.397   5.191   3.446
  350   HG22  THR  54          1HG2      THR  54 -14.065   5.232   2.882
  351   HG23  THR  54          2HG2      THR  54 -12.799   6.021   1.943
  352    H    GLY  55           H        GLY  55 -15.731   5.035  -0.007
  353    HA2  GLY  55           1HA      GLY  55 -14.906   4.463  -2.727
  354    HA3  GLY  55           2HA      GLY  55 -16.215   5.527  -2.234
  355    H    ASN  56           H        ASN  56 -12.704   5.457  -1.651
  356    HA   ASN  56           HA       ASN  56 -12.155   7.693  -3.289
  357    HB2  ASN  56           2HB      ASN  56 -11.530   9.326  -1.533
  358    HB3  ASN  56           1HB      ASN  56 -13.256   8.992  -1.544
  359   HD21  ASN  56          1HD2      ASN  56 -14.171   8.538   0.325
  360   HD22  ASN  56          2HD2      ASN  56 -13.341   8.079   1.775
  361    H    SER  57           H        SER  57  -9.826   8.536  -2.739
  362    HA   SER  57           HA       SER  57  -8.229   6.133  -2.733
  363    HB2  SER  57           2HB      SER  57  -6.920   8.793  -2.866
  364    HB3  SER  57           1HB      SER  57  -6.671   7.359  -3.865
  365    HG   SER  57           HG       SER  57  -8.482   7.858  -5.043
  366    H    GLY  58           H        GLY  58  -9.407   7.704  -0.206
  367    HA2  GLY  58           1HA      GLY  58  -6.970   7.903   1.376
  368    HA3  GLY  58           2HA      GLY  58  -8.607   8.244   1.925
  369    H    LEU  59           H        LEU  59  -6.501   5.578   0.925
  370    HA   LEU  59           HA       LEU  59  -8.247   3.597   2.024
  371    HB2  LEU  59           2HB      LEU  59  -6.126   3.672   0.182
  372    HB3  LEU  59           1HB      LEU  59  -5.598   2.624   1.485
  373    HG   LEU  59           HG       LEU  59  -7.218   1.045   1.066
  374   HD11  LEU  59          1HD1      LEU  59  -9.318   1.771   1.010
  375   HD12  LEU  59          2HD1      LEU  59  -8.844   3.338   0.351
  376   HD13  LEU  59          3HD1      LEU  59  -9.086   1.964  -0.728
  377   HD21  LEU  59          3HD2      LEU  59  -7.405   0.832  -1.453
  378   HD22  LEU  59          1HD2      LEU  59  -6.502   2.345  -1.539
  379   HD23  LEU  59          2HD2      LEU  59  -5.777   0.927  -0.783
  380    H    ILE  60           H        ILE  60  -8.312   4.424   4.198
  381    HA   ILE  60           HA       ILE  60  -5.978   4.030   5.850
  382    HB   ILE  60           HB       ILE  60  -7.459   5.783   6.531
  383   HG12  ILE  60          2HG1      ILE  60  -8.349   3.985   8.644
  384   HG13  ILE  60          1HG1      ILE  60  -6.656   3.741   8.219
  385   HG21  ILE  60          1HG2      ILE  60  -9.802   4.412   7.373
  386   HG22  ILE  60          2HG2      ILE  60  -9.637   5.721   6.200
  387   HG23  ILE  60          3HG2      ILE  60  -9.501   4.042   5.674
  388   HD11  ILE  60          3HD1      ILE  60  -7.620   6.519   8.638
  389   HD12  ILE  60          1HD1      ILE  60  -7.364   5.485  10.045
  390   HD13  ILE  60          2HD1      ILE  60  -6.033   5.813   8.936
  391    H    ILE  61           H        ILE  61  -5.353   2.111   6.561
  392    HA   ILE  61           HA       ILE  61  -7.237  -0.123   6.280
  393    HB   ILE  61           HB       ILE  61  -4.229  -0.278   6.526
  394   HG12  ILE  61          2HG1      ILE  61  -5.954  -0.377   4.040
  395   HG13  ILE  61          1HG1      ILE  61  -4.932   0.978   4.511
  396   HG21  ILE  61          1HG2      ILE  61  -5.180  -2.360   7.131
  397   HG22  ILE  61          2HG2      ILE  61  -6.353  -2.290   5.816
  398   HG23  ILE  61          3HG2      ILE  61  -4.642  -2.536   5.461
  399   HD11  ILE  61          3HD1      ILE  61  -4.244  -1.170   2.894
  400   HD12  ILE  61          1HD1      ILE  61  -3.160   0.048   3.570
  401   HD13  ILE  61          2HD1      ILE  61  -3.420  -1.473   4.427
  402    H    ASN  62           H        ASN  62  -7.426  -1.700   7.882
  403    HA   ASN  62           HA       ASN  62  -7.346  -0.620  10.547
  404    HB2  ASN  62           2HB      ASN  62  -9.217  -2.028   9.490
  405    HB3  ASN  62           1HB      ASN  62  -8.177  -3.415   9.794
  406   HD21  ASN  62          1HD2      ASN  62  -9.492  -4.377  11.264
  407   HD22  ASN  62          2HD2      ASN  62  -9.801  -3.724  12.842
  408    H    ALA  63           H        ALA  63  -4.850  -1.538   9.023
  409    HA   ALA  63           HA       ALA  63  -2.768  -2.182   9.625
  410    HB1  ALA  63           1HB      ALA  63  -3.435  -3.005  12.375
  411    HB2  ALA  63           2HB      ALA  63  -2.129  -1.984  11.774
  412    HB3  ALA  63           3HB      ALA  63  -3.754  -1.322  11.960
  413    H    ALA  64           H        ALA  64  -5.278  -4.363  10.852
  414    HA   ALA  64           HA       ALA  64  -3.769  -6.670  11.134
  415    HB1  ALA  64           1HB      ALA  64  -6.284  -6.109  11.664
  416    HB2  ALA  64           2HB      ALA  64  -6.549  -6.907  10.115
  417    HB3  ALA  64           3HB      ALA  64  -5.746  -7.770  11.425
  418    H    ASN  65           H        ASN  65  -5.251  -5.342   8.222
  419    HA   ASN  65           HA       ASN  65  -4.595  -7.689   6.665
  420    HB2  ASN  65           2HB      ASN  65  -6.071  -5.151   6.183
  421    HB3  ASN  65           1HB      ASN  65  -5.359  -5.946   4.784
  422   HD21  ASN  65          1HD2      ASN  65  -5.750  -8.593   6.246
  423   HD22  ASN  65          2HD2      ASN  65  -7.429  -8.949   5.993
  424    H    CYS  66           H        CYS  66  -2.487  -5.920   7.918
  425    HA   CYS  66           HA       CYS  66  -0.984  -5.328   5.458
  426    HB2  CYS  66           2HB      CYS  66  -1.113  -3.850   8.075
  427    HB3  CYS  66           1HB      CYS  66   0.275  -3.682   7.006
  428    H    VAL  67           H        VAL  67   1.393  -5.450   5.772
  429    HA   VAL  67           HA       VAL  67   2.072  -7.813   7.337
  430    HB   VAL  67           HB       VAL  67   4.264  -7.681   6.139
  431   HG11  VAL  67          1HG1      VAL  67   3.308  -9.092   4.723
  432   HG12  VAL  67          2HG1      VAL  67   1.727  -8.436   5.145
  433   HG13  VAL  67          3HG1      VAL  67   2.638  -7.745   3.803
  434   HG21  VAL  67          3HG2      VAL  67   4.875  -5.897   4.951
  435   HG22  VAL  67          1HG2      VAL  67   3.375  -5.928   4.024
  436   HG23  VAL  67          2HG2      VAL  67   3.440  -5.075   5.566
  437    H    ALA  68           H        ALA  68   4.437  -7.695   8.237
  438    HA   ALA  68           HA       ALA  68   4.473  -5.477  10.116
  439    HB1  ALA  68           1HB      ALA  68   6.551  -6.862  10.934
  440    HB2  ALA  68           2HB      ALA  68   4.909  -7.413  11.269
  441    HB3  ALA  68           3HB      ALA  68   5.826  -8.126   9.939
  Start of MODEL   13
    1    H1   SER   1           1H       SER   1  14.565   3.543   4.418
    2    H2   SER   1           2H       SER   1  15.330   3.905   5.885
    3    H3   SER   1           3H       SER   1  16.217   3.918   4.442
    4    HA   SER   1           HA       SER   1  14.603   5.956   5.617
    5    HB2  SER   1           2HB      SER   1  16.181   6.633   3.270
    6    HB3  SER   1           1HB      SER   1  16.370   7.174   4.938
    7    HG   SER   1           HG       SER   1  17.968   5.584   3.671
    8    H    ALA   2           H        ALA   2  15.015   7.054   2.609
    9    HA   ALA   2           HA       ALA   2  12.228   6.801   1.939
   10    HB1  ALA   2           1HB      ALA   2  14.541   8.346   0.861
   11    HB2  ALA   2           2HB      ALA   2  13.105   8.132  -0.142
   12    HB3  ALA   2           3HB      ALA   2  12.973   8.915   1.433
   13    H    THR   3           H        THR   3  11.845   4.692   1.397
   14    HA   THR   3           HA       THR   3  13.482   3.282  -0.504
   15    HB   THR   3           HB       THR   3  10.761   2.331   0.257
   16    HG1  THR   3           1HG      THR   3  12.950   2.730   2.017
   17   HG21  THR   3          3HG2      THR   3  11.588   0.307  -0.255
   18   HG22  THR   3          1HG2      THR   3  13.088   0.601   0.626
   19   HG23  THR   3          2HG2      THR   3  12.904   1.196  -1.024
   20    H    THR   4           H        THR   4  13.112   2.992  -2.640
   21    HA   THR   4           HA       THR   4  11.132   4.616  -3.944
   22    HB   THR   4           HB       THR   4  12.430   2.613  -5.618
   23    HG1  THR   4           1HG      THR   4  14.560   3.688  -5.275
   24   HG21  THR   4          3HG2      THR   4  11.377   5.018  -6.054
   25   HG22  THR   4          1HG2      THR   4  12.679   4.376  -7.056
   26   HG23  THR   4          2HG2      THR   4  13.043   5.520  -5.763
   27    H    ILE   5           H        ILE   5   9.262   3.938  -4.945
   28    HA   ILE   5           HA       ILE   5   8.466   1.178  -4.293
   29    HB   ILE   5           HB       ILE   5   6.813   3.696  -4.361
   30   HG12  ILE   5          2HG1      ILE   5   7.425   1.675  -2.197
   31   HG13  ILE   5          1HG1      ILE   5   8.032   3.325  -2.289
   32   HG21  ILE   5          1HG2      ILE   5   4.853   2.325  -3.907
   33   HG22  ILE   5          2HG2      ILE   5   5.576   1.874  -5.451
   34   HG23  ILE   5          3HG2      ILE   5   5.830   0.861  -4.028
   35   HD11  ILE   5          3HD1      ILE   5   6.058   4.235  -1.610
   36   HD12  ILE   5          1HD1      ILE   5   5.095   2.903  -2.249
   37   HD13  ILE   5          2HD1      ILE   5   6.004   2.694  -0.751
   38    H    GLY   6           H        GLY   6   8.280  -0.081  -5.987
   39    HA2  GLY   6           1HA      GLY   6   6.994   1.015  -8.409
   40    HA3  GLY   6           2HA      GLY   6   8.013  -0.422  -8.381
   41    HA   PRO   7           HA       PRO   7   3.219  -1.091  -7.526
   42    HB2  PRO   7           2HB      PRO   7   2.772  -2.253 -10.033
   43    HB3  PRO   7           1HB      PRO   7   2.253  -0.645  -9.524
   44    HG2  PRO   7           2HG      PRO   7   4.649  -1.452 -11.107
   45    HG3  PRO   7           1HG      PRO   7   3.616  -0.021 -11.282
   46    HD2  PRO   7           2HD      PRO   7   6.027   0.157 -10.148
   47    HD3  PRO   7           1HD      PRO   7   4.649   1.086  -9.510
   48    H    ASN   8           H        ASN   8   5.833  -2.872  -9.042
   49    HA   ASN   8           HA       ASN   8   4.638  -5.425  -8.314
   50    HB2  ASN   8           2HB      ASN   8   5.845  -5.007 -10.522
   51    HB3  ASN   8           1HB      ASN   8   7.339  -5.013  -9.589
   52   HD21  ASN   8          1HD2      ASN   8   8.221  -6.833 -10.406
   53   HD22  ASN   8          2HD2      ASN   8   7.542  -8.413 -10.221
   54    H    THR   9           H        THR   9   5.253  -3.833  -6.098
   55    HA   THR   9           HA       THR   9   7.670  -4.922  -4.922
   56    HB   THR   9           HB       THR   9   6.230  -3.849  -2.835
   57    HG1  THR   9           1HG      THR   9   5.782  -2.115  -5.046
   58   HG21  THR   9          3HG2      THR   9   7.622  -1.710  -4.056
   59   HG22  THR   9          1HG2      THR   9   8.514  -3.188  -4.414
   60   HG23  THR   9          2HG2      THR   9   8.163  -2.754  -2.740
   61    H    CYS  10           H        CYS  10   4.283  -5.539  -5.070
   62    HA   CYS  10           HA       CYS  10   4.639  -8.057  -3.657
   63    HB2  CYS  10           2HB      CYS  10   2.972  -5.785  -2.728
   64    HB3  CYS  10           1HB      CYS  10   2.218  -7.373  -2.662
   65    H    SER  11           H        SER  11   3.528  -9.672  -4.652
   66    HA   SER  11           HA       SER  11   1.310  -9.080  -6.408
   67    HB2  SER  11           2HB      SER  11   3.021 -10.650  -8.022
   68    HB3  SER  11           1HB      SER  11   2.504  -8.988  -8.306
   69    HG   SER  11           HG       SER  11   4.531  -8.502  -8.043
   70    H    ILE  12           H        ILE  12   2.292 -10.796  -4.035
   71    HA   ILE  12           HA       ILE  12   1.888 -13.506  -4.928
   72    HB   ILE  12           HB       ILE  12   1.642 -12.750  -2.052
   73   HG12  ILE  12          2HG1      ILE  12   4.426 -13.124  -2.870
   74   HG13  ILE  12          1HG1      ILE  12   3.707 -11.656  -3.531
   75   HG21  ILE  12          1HG2      ILE  12   2.804 -14.822  -1.700
   76   HG22  ILE  12          2HG2      ILE  12   1.476 -15.079  -2.831
   77   HG23  ILE  12          3HG2      ILE  12   3.133 -14.973  -3.427
   78   HD11  ILE  12          3HD1      ILE  12   4.431 -10.801  -1.582
   79   HD12  ILE  12          1HD1      ILE  12   2.892 -11.435  -1.000
   80   HD13  ILE  12          2HD1      ILE  12   4.376 -12.355  -0.750
   81    H    ASP  13           H        ASP  13   0.284 -12.066  -2.177
   82    HA   ASP  13           HA       ASP  13  -2.338 -12.880  -3.024
   83    HB2  ASP  13           2HB      ASP  13  -1.476 -12.665  -0.608
   84    HB3  ASP  13           1HB      ASP  13  -1.630 -10.928  -0.822
   85    H    ASP  14           H        ASP  14  -4.004 -10.798  -2.682
   86    HA   ASP  14           HA       ASP  14  -3.326  -8.949  -4.784
   87    HB2  ASP  14           2HB      ASP  14  -5.690  -9.829  -3.971
   88    HB3  ASP  14           1HB      ASP  14  -5.596  -8.431  -2.904
   89    H    TYR  15           H        TYR  15  -1.316  -8.706  -3.179
   90    HA   TYR  15           HA       TYR  15  -1.725  -6.622  -1.194
   91    HB2  TYR  15           2HB      TYR  15   0.553  -8.411  -1.973
   92    HB3  TYR  15           1HB      TYR  15   0.870  -6.959  -1.034
   93    HD1  TYR  15           1HD      TYR  15  -1.714  -7.059   0.617
   94    HD2  TYR  15           2HD      TYR  15   1.187 -10.013  -0.355
   95    HE1  TYR  15           1HE      TYR  15  -2.272  -8.277   2.680
   96    HE2  TYR  15           2HE      TYR  15   0.638 -11.240   1.703
   97    HH   TYR  15           HH       TYR  15  -1.683 -11.298   3.258
   98    H    LYS  16           H        LYS  16  -1.265  -4.538  -1.501
   99    HA   LYS  16           HA       LYS  16   0.242  -3.800  -3.925
  100    HB2  LYS  16           2HB      LYS  16  -2.090  -2.416  -2.600
  101    HB3  LYS  16           1HB      LYS  16  -1.062  -1.623  -3.784
  102    HG2  LYS  16           2HG      LYS  16  -1.743  -3.910  -5.090
  103    HG3  LYS  16           1HG      LYS  16  -3.197  -3.577  -4.146
  104    HD2  LYS  16           2HD      LYS  16  -2.219  -1.142  -5.308
  105    HD3  LYS  16           1HD      LYS  16  -2.388  -2.370  -6.561
  106    HE2  LYS  16           2HE      LYS  16  -4.403  -0.790  -5.797
  107    HE3  LYS  16           1HE      LYS  16  -4.648  -2.433  -6.386
  108    HZ1  LYS  16           3HZ      LYS  16  -4.705  -3.211  -4.102
  109    HZ2  LYS  16           1HZ      LYS  16  -5.891  -2.025  -4.357
  110    HZ3  LYS  16           2HZ      LYS  16  -4.469  -1.628  -3.529
  111    HA   PRO  17           HA       PRO  17   3.036  -1.561  -1.247
  112    HB2  PRO  17           2HB      PRO  17   3.686   0.505  -2.916
  113    HB3  PRO  17           1HB      PRO  17   4.374  -1.114  -3.067
  114    HG2  PRO  17           2HG      PRO  17   2.112   0.129  -4.577
  115    HG3  PRO  17           1HG      PRO  17   3.448  -0.864  -5.187
  116    HD2  PRO  17           2HD      PRO  17   0.995  -1.887  -4.784
  117    HD3  PRO  17           1HD      PRO  17   2.461  -2.842  -4.480
  118    H    TYR  18           H        TYR  18   2.267  -0.409   0.427
  119    HA   TYR  18           HA       TYR  18   0.636   1.956  -0.191
  120    HB2  TYR  18           2HB      TYR  18   0.111  -0.231   1.793
  121    HB3  TYR  18           1HB      TYR  18  -0.509   1.392   2.083
  122    HD1  TYR  18           2HD      TYR  18  -1.885   2.453   0.165
  123    HD2  TYR  18           1HD      TYR  18  -1.122  -1.714   0.494
  124    HE1  TYR  18           2HE      TYR  18  -3.782   1.998  -1.321
  125    HE2  TYR  18           1HE      TYR  18  -3.013  -2.188  -1.001
  126    HH   TYR  18           HH       TYR  18  -5.340  -0.665  -1.610
  127    H    CYS  19           H        CYS  19   1.413   3.758   0.561
  128    HA   CYS  19           HA       CYS  19   3.527   3.799   2.536
  129    HB2  CYS  19           2HB      CYS  19   2.106   5.910   0.916
  130    HB3  CYS  19           1HB      CYS  19   3.205   6.341   2.223
  131    H    CYS  20           H        CYS  20   2.717   3.209   4.493
  132    HA   CYS  20           HA       CYS  20   0.197   4.377   5.391
  133    HB2  CYS  20           2HB      CYS  20   1.391   1.817   5.648
  134    HB3  CYS  20           1HB      CYS  20   1.266   2.507   7.264
  135    H    GLN  21           H        GLN  21   0.307   6.145   6.562
  136    HA   GLN  21           HA       GLN  21   2.572   6.616   8.330
  137    HB2  GLN  21           2HB      GLN  21   0.135   8.244   7.606
  138    HB3  GLN  21           1HB      GLN  21   1.244   8.726   8.883
  139    HG2  GLN  21           2HG      GLN  21   2.872   8.194   6.695
  140    HG3  GLN  21           1HG      GLN  21   1.470   9.030   6.027
  141   HE21  GLN  21          1HE2      GLN  21   0.903  11.092   6.964
  142   HE22  GLN  21          2HE2      GLN  21   2.145  12.094   7.637
  143    H    SER  22           H        SER  22   2.563   5.744  10.286
  144    HA   SER  22           HA       SER  22   0.336   4.408  11.377
  145    HB2  SER  22           2HB      SER  22   2.547   5.230  13.180
  146    HB3  SER  22           1HB      SER  22   1.816   3.642  12.940
  147    HG   SER  22           HG       SER  22   3.385   3.205  11.631
  148    H    MET  23           H        MET  23   1.566   7.645  11.714
  149    HA   MET  23           HA       MET  23  -0.824   8.312  13.280
  150    HB2  MET  23           2HB      MET  23   1.964   9.318  13.902
  151    HB3  MET  23           1HB      MET  23   0.481   9.906  14.642
  152    HG2  MET  23           2HG      MET  23   1.002   8.442  16.252
  153    HG3  MET  23           1HG      MET  23   0.260   7.272  15.162
  154    HE1  MET  23           3HE      MET  23   1.688   5.910  17.063
  155    HE2  MET  23           1HE      MET  23   1.587   4.954  15.585
  156    HE3  MET  23           2HE      MET  23   3.120   5.086  16.447
  157    H    SER  24           H        SER  24  -1.245   8.775  10.872
  158    HA   SER  24           HA       SER  24  -0.086  11.135   9.753
  159    HB2  SER  24           2HB      SER  24  -2.648  10.640   8.618
  160    HB3  SER  24           1HB      SER  24  -1.066  10.254   7.936
  161    HG   SER  24           HG       SER  24  -2.926   8.605   9.064
  162    H    GLY  25           H        GLY  25  -0.447  12.309  11.917
  163    HA2  GLY  25           1HA      GLY  25  -1.511  13.971  13.102
  164    HA3  GLY  25           2HA      GLY  25  -2.516  14.222  11.680
  165    H    SER  26           H        SER  26  -2.462  11.074  12.951
  166    HA   SER  26           HA       SER  26  -4.893  11.350  14.490
  167    HB2  SER  26           2HB      SER  26  -5.020   9.534  12.106
  168    HB3  SER  26           1HB      SER  26  -6.345  10.252  13.021
  169    HG   SER  26           HG       SER  26  -4.604  11.549  11.177
  170    H    ALA  27           H        ALA  27  -5.721   8.930  14.865
  171    HA   ALA  27           HA       ALA  27  -3.351   7.336  15.576
  172    HB1  ALA  27           1HB      ALA  27  -4.790   6.162  17.131
  173    HB2  ALA  27           2HB      ALA  27  -4.920   7.901  17.392
  174    HB3  ALA  27           3HB      ALA  27  -6.198   7.040  16.532
  175    H    SER  28           H        SER  28  -5.024   7.620  12.968
  176    HA   SER  28           HA       SER  28  -5.673   4.802  12.534
  177    HB2  SER  28           2HB      SER  28  -6.310   6.331  10.247
  178    HB3  SER  28           1HB      SER  28  -7.429   5.677  11.445
  179    HG   SER  28           HG       SER  28  -7.831   7.688  11.888
  180    H    LEU  29           H        LEU  29  -4.759   3.616  10.858
  181    HA   LEU  29           HA       LEU  29  -2.118   4.437  10.058
  182    HB2  LEU  29           2HB      LEU  29  -3.720   1.991  10.041
  183    HB3  LEU  29           1HB      LEU  29  -2.735   2.172   8.603
  184    HG   LEU  29           HG       LEU  29  -1.671   0.838  10.419
  185   HD11  LEU  29          1HD1      LEU  29  -0.002   3.272  10.079
  186   HD12  LEU  29          2HD1      LEU  29   0.423   1.570   9.884
  187   HD13  LEU  29          3HD1      LEU  29  -0.518   2.394   8.638
  188   HD21  LEU  29          3HD2      LEU  29  -2.528   2.093  12.331
  189   HD22  LEU  29          1HD2      LEU  29  -0.767   2.004  12.355
  190   HD23  LEU  29          2HD2      LEU  29  -1.565   3.491  11.847
  191    H    GLY  30           H        GLY  30  -2.004   5.995   8.576
  192    HA2  GLY  30           1HA      GLY  30  -4.004   6.214   6.484
  193    HA3  GLY  30           2HA      GLY  30  -2.704   7.348   6.813
  194    H    CYS  31           H        CYS  31  -3.373   4.166   5.458
  195    HA   CYS  31           HA       CYS  31  -0.975   4.046   3.920
  196    HB2  CYS  31           2HB      CYS  31  -3.364   2.390   4.363
  197    HB3  CYS  31           1HB      CYS  31  -2.654   2.243   2.757
  198    H    VAL  32           H        VAL  32  -0.582   5.141   2.146
  199    HA   VAL  32           HA       VAL  32  -2.809   5.763   0.310
  200    HB   VAL  32           HB       VAL  32  -0.240   7.101  -0.202
  201   HG11  VAL  32          1HG1      VAL  32  -3.107   7.598  -0.455
  202   HG12  VAL  32          2HG1      VAL  32  -2.173   9.020   0.014
  203   HG13  VAL  32          3HG1      VAL  32  -1.764   8.145  -1.460
  204   HG21  VAL  32          3HG2      VAL  32   0.071   7.420   2.066
  205   HG22  VAL  32          1HG2      VAL  32  -0.863   8.849   1.623
  206   HG23  VAL  32          2HG2      VAL  32  -1.659   7.482   2.403
  207    H    VAL  33           H        VAL  33  -2.389   5.416  -1.978
  208    HA   VAL  33           HA       VAL  33  -1.056   2.985  -2.496
  209    HB   VAL  33           HB       VAL  33  -1.963   5.098  -4.463
  210   HG11  VAL  33          1HG1      VAL  33  -1.420   3.746  -6.202
  211   HG12  VAL  33          2HG1      VAL  33  -0.208   3.155  -5.066
  212   HG13  VAL  33          3HG1      VAL  33  -1.716   2.267  -5.287
  213   HG21  VAL  33          3HG2      VAL  33  -3.305   2.556  -3.545
  214   HG22  VAL  33          1HG2      VAL  33  -3.787   4.196  -3.113
  215   HG23  VAL  33          2HG2      VAL  33  -3.911   3.652  -4.786
  216    H    GLY  34           H        GLY  34   1.013   2.553  -2.914
  217    HA2  GLY  34           1HA      GLY  34   3.039   4.505  -2.883
  218    HA3  GLY  34           2HA      GLY  34   3.230   2.845  -3.431
  219    H    VAL  35           H        VAL  35   3.684   5.883  -4.383
  220    HA   VAL  35           HA       VAL  35   2.446   5.824  -6.970
  221    HB   VAL  35           HB       VAL  35   4.637   7.748  -6.591
  222   HG11  VAL  35          1HG1      VAL  35   1.866   8.649  -6.993
  223   HG12  VAL  35          2HG1      VAL  35   3.338   9.061  -7.872
  224   HG13  VAL  35          3HG1      VAL  35   2.495   7.553  -8.225
  225   HG21  VAL  35          3HG2      VAL  35   3.767   7.475  -4.255
  226   HG22  VAL  35          1HG2      VAL  35   3.600   9.099  -4.920
  227   HG23  VAL  35          2HG2      VAL  35   2.199   8.033  -4.840
  228    H    ILE  36           H        ILE  36   3.258   5.121  -8.796
  229    HA   ILE  36           HA       ILE  36   5.410   3.368  -8.893
  230    HB   ILE  36           HB       ILE  36   4.222   4.866 -11.234
  231   HG12  ILE  36          2HG1      ILE  36   3.173   2.230 -10.968
  232   HG13  ILE  36          1HG1      ILE  36   2.977   3.049  -9.423
  233   HG21  ILE  36          1HG2      ILE  36   4.847   2.816 -12.488
  234   HG22  ILE  36          2HG2      ILE  36   6.228   3.714 -11.858
  235   HG23  ILE  36          3HG2      ILE  36   5.689   2.242 -11.049
  236   HD11  ILE  36          3HD1      ILE  36   1.436   4.475 -10.229
  237   HD12  ILE  36          1HD1      ILE  36   2.215   4.598 -11.806
  238   HD13  ILE  36          2HD1      ILE  36   1.209   3.201 -11.426
  239    H    GLY  37           H        GLY  37   7.478   3.867  -8.594
  240    HA2  GLY  37           1HA      GLY  37   9.546   4.661  -9.307
  241    HA3  GLY  37           2HA      GLY  37   8.721   5.731 -10.430
  242    H    SER  38           H        SER  38   7.692   5.735  -7.150
  243    HA   SER  38           HA       SER  38   9.138   8.263  -6.717
  244    HB2  SER  38           2HB      SER  38   6.509   7.525  -5.435
  245    HB3  SER  38           1HB      SER  38   7.269   9.114  -5.524
  246    HG   SER  38           HG       SER  38   6.808   7.909  -7.962
  247    H    GLN  39           H        GLN  39   9.557   8.765  -4.418
  248    HA   GLN  39           HA       GLN  39  10.348   6.299  -3.035
  249    HB2  GLN  39           2HB      GLN  39  11.614   8.897  -3.435
  250    HB3  GLN  39           1HB      GLN  39  11.647   8.369  -1.756
  251    HG2  GLN  39           2HG      GLN  39  12.855   6.442  -2.262
  252    HG3  GLN  39           1HG      GLN  39  12.482   6.553  -3.982
  253   HE21  GLN  39          1HE2      GLN  39  14.794   7.035  -1.699
  254   HE22  GLN  39          2HE2      GLN  39  15.832   8.121  -2.565
  255    H    CYS  40           H        CYS  40   9.720   5.863  -1.001
  256    HA   CYS  40           HA       CYS  40   7.799   7.743   0.206
  257    HB2  CYS  40           2HB      CYS  40   7.034   5.406  -0.561
  258    HB3  CYS  40           1HB      CYS  40   7.937   4.803   0.824
  259    H    GLY  41           H        GLY  41   8.340   8.643   2.065
  260    HA2  GLY  41           1HA      GLY  41  10.653   7.581   3.526
  261    HA3  GLY  41           2HA      GLY  41   9.957   9.185   3.719
  262    H    ALA  42           H        ALA  42   7.570   6.811   3.585
  263    HA   ALA  42           HA       ALA  42   7.372   6.804   6.518
  264    HB1  ALA  42           1HB      ALA  42   5.522   7.735   4.750
  265    HB2  ALA  42           2HB      ALA  42   4.970   6.079   4.998
  266    HB3  ALA  42           3HB      ALA  42   5.156   7.161   6.377
  267    H    SER  43           H        SER  43   5.625   4.789   6.934
  268    HA   SER  43           HA       SER  43   7.222   2.474   6.575
  269    HB2  SER  43           2HB      SER  43   4.473   1.910   7.321
  270    HB3  SER  43           1HB      SER  43   5.952   1.705   8.261
  271    HG   SER  43           HG       SER  43   4.171   3.862   8.166
  272    H    VAL  44           H        VAL  44   7.461   1.661   4.581
  273    HA   VAL  44           HA       VAL  44   5.303   1.568   2.677
  274    HB   VAL  44           HB       VAL  44   7.949   0.116   2.510
  275   HG11  VAL  44          1HG1      VAL  44   6.495  -0.721   0.862
  276   HG12  VAL  44          2HG1      VAL  44   5.850   0.880   0.501
  277   HG13  VAL  44          3HG1      VAL  44   7.499   0.467   0.030
  278   HG21  VAL  44          3HG2      VAL  44   8.336   2.246   0.938
  279   HG22  VAL  44          1HG2      VAL  44   7.285   2.977   2.151
  280   HG23  VAL  44          2HG2      VAL  44   8.799   2.214   2.638
  281    H    LYS  45           H        LYS  45   3.678   0.221   3.089
  282    HA   LYS  45           HA       LYS  45   4.317  -2.435   4.194
  283    HB2  LYS  45           2HB      LYS  45   1.611  -1.136   4.352
  284    HB3  LYS  45           1HB      LYS  45   2.260  -2.442   5.334
  285    HG2  LYS  45           2HG      LYS  45   3.439   0.313   5.418
  286    HG3  LYS  45           1HG      LYS  45   2.038  -0.127   6.398
  287    HD2  LYS  45           2HD      LYS  45   4.255  -2.040   6.523
  288    HD3  LYS  45           1HD      LYS  45   4.640  -0.437   7.156
  289    HE2  LYS  45           2HE      LYS  45   2.449  -0.629   8.453
  290    HE3  LYS  45           1HE      LYS  45   2.500  -2.339   8.043
  291    HZ1  LYS  45           3HZ      LYS  45   3.896  -2.682   9.698
  292    HZ2  LYS  45           1HZ      LYS  45   3.821  -1.038  10.122
  293    HZ3  LYS  45           2HZ      LYS  45   5.010  -1.585   9.040
  294    H    CYS  46           H        CYS  46   2.886  -4.177   3.550
  295    HA   CYS  46           HA       CYS  46   1.849  -3.836   0.812
  296    HB2  CYS  46           2HB      CYS  46   3.399  -6.027   2.103
  297    HB3  CYS  46           1HB      CYS  46   2.140  -6.500   0.969
  298    H    CYS  47           H        CYS  47  -0.278  -3.481   1.116
  299    HA   CYS  47           HA       CYS  47  -1.711  -5.290   2.947
  300    HB2  CYS  47           2HB      CYS  47  -1.779  -2.375   2.609
  301    HB3  CYS  47           1HB      CYS  47  -3.372  -3.124   2.616
  302    H    LYS  48           H        LYS  48  -3.783  -6.000   2.320
  303    HA   LYS  48           HA       LYS  48  -4.194  -6.024  -0.572
  304    HB2  LYS  48           2HB      LYS  48  -6.109  -7.642   0.158
  305    HB3  LYS  48           1HB      LYS  48  -4.440  -8.196   0.190
  306    HG2  LYS  48           2HG      LYS  48  -4.578  -7.323   2.680
  307    HG3  LYS  48           1HG      LYS  48  -6.300  -7.622   2.427
  308    HD2  LYS  48           2HD      LYS  48  -4.329  -9.725   1.641
  309    HD3  LYS  48           1HD      LYS  48  -4.727  -9.515   3.347
  310    HE2  LYS  48           2HE      LYS  48  -6.859 -10.238   3.085
  311    HE3  LYS  48           1HE      LYS  48  -6.982  -9.625   1.438
  312    HZ1  LYS  48           3HZ      LYS  48  -6.280 -12.231   2.349
  313    HZ2  LYS  48           1HZ      LYS  48  -5.097 -11.609   1.301
  314    HZ3  LYS  48           2HZ      LYS  48  -6.710 -11.717   0.792
  315    H    ASP  49           H        ASP  49  -6.302  -5.542  -1.464
  316    HA   ASP  49           HA       ASP  49  -7.346  -3.129  -0.300
  317    HB2  ASP  49           2HB      ASP  49  -7.453  -4.458  -2.897
  318    HB3  ASP  49           1HB      ASP  49  -8.995  -3.746  -2.433
  319    H    ASP  50           H        ASP  50  -8.037  -4.451   1.659
  320    HA   ASP  50           HA       ASP  50 -10.599  -5.805   1.224
  321    HB2  ASP  50           2HB      ASP  50  -8.447  -6.365   2.906
  322    HB3  ASP  50           1HB      ASP  50  -9.699  -5.748   3.979
  323    H    VAL  51           H        VAL  51 -10.386  -2.967   0.954
  324    HA   VAL  51           HA       VAL  51 -11.856  -1.955   3.273
  325    HB   VAL  51           HB       VAL  51 -11.799   0.162   1.576
  326   HG11  VAL  51          1HG1      VAL  51  -9.430  -0.462   3.306
  327   HG12  VAL  51          2HG1      VAL  51 -10.210   1.093   3.014
  328   HG13  VAL  51          3HG1      VAL  51 -11.021  -0.133   3.991
  329   HG21  VAL  51          3HG2      VAL  51 -10.530  -0.837  -0.168
  330   HG22  VAL  51          1HG2      VAL  51  -9.438   0.247   0.691
  331   HG23  VAL  51          2HG2      VAL  51  -9.353  -1.492   0.971
  332    H    THR  52           H        THR  52 -13.950  -2.421   3.233
  333    HA   THR  52           HA       THR  52 -15.297  -2.919   0.729
  334    HB   THR  52           HB       THR  52 -17.159  -3.039   2.830
  335    HG1  THR  52           1HG      THR  52 -14.918  -4.544   3.648
  336   HG21  THR  52          3HG2      THR  52 -17.431  -5.175   2.091
  337   HG22  THR  52          1HG2      THR  52 -15.698  -5.500   2.067
  338   HG23  THR  52          2HG2      THR  52 -16.441  -4.583   0.757
  339    H    ASN  53           H        ASN  53 -15.547  -0.990  -0.291
  340    HA   ASN  53           HA       ASN  53 -16.537   0.944  -0.904
  341    HB2  ASN  53           2HB      ASN  53 -18.545  -0.583  -0.095
  342    HB3  ASN  53           1HB      ASN  53 -18.686   0.667   1.139
  343   HD21  ASN  53          1HD2      ASN  53 -20.386  -0.118  -1.174
  344   HD22  ASN  53          2HD2      ASN  53 -20.627   1.348  -2.074
  345    H    THR  54           H        THR  54 -14.528   1.726   0.386
  346    HA   THR  54           HA       THR  54 -15.161   3.353   2.677
  347    HB   THR  54           HB       THR  54 -12.737   4.256   1.644
  348    HG1  THR  54           1HG      THR  54 -11.692   2.521   0.838
  349   HG21  THR  54          3HG2      THR  54 -11.746   3.000   3.483
  350   HG22  THR  54          1HG2      THR  54 -13.202   2.013   3.615
  351   HG23  THR  54          2HG2      THR  54 -13.266   3.734   3.995
  352    H    GLY  55           H        GLY  55 -16.930   4.510   1.658
  353    HA2  GLY  55           1HA      GLY  55 -16.682   6.015  -0.708
  354    HA3  GLY  55           2HA      GLY  55 -17.915   6.237   0.520
  355    H    ASN  56           H        ASN  56 -14.831   7.249  -0.680
  356    HA   ASN  56           HA       ASN  56 -13.665   9.179  -0.506
  357    HB2  ASN  56           2HB      ASN  56 -16.384  10.009   0.339
  358    HB3  ASN  56           1HB      ASN  56 -15.065  11.112   0.726
  359   HD21  ASN  56          1HD2      ASN  56 -15.969   9.047  -2.028
  360   HD22  ASN  56          2HD2      ASN  56 -15.773  10.278  -3.229
  361    H    SER  57           H        SER  57 -14.021   7.190   1.846
  362    HA   SER  57           HA       SER  57 -13.218   8.806   4.102
  363    HB2  SER  57           2HB      SER  57 -12.849   5.905   4.321
  364    HB3  SER  57           1HB      SER  57 -13.779   7.002   5.342
  365    HG   SER  57           HG       SER  57 -15.528   6.560   4.241
  366    H    GLY  58           H        GLY  58 -11.728   6.708   1.719
  367    HA2  GLY  58           1HA      GLY  58  -9.373   7.369   1.196
  368    HA3  GLY  58           2HA      GLY  58  -9.097   7.297   2.931
  369    H    LEU  59           H        LEU  59  -7.392   5.770   2.419
  370    HA   LEU  59           HA       LEU  59  -8.452   3.081   1.838
  371    HB2  LEU  59           2HB      LEU  59  -5.764   4.304   1.253
  372    HB3  LEU  59           1HB      LEU  59  -6.035   2.571   1.214
  373    HG   LEU  59           HG       LEU  59  -7.858   4.262  -0.416
  374   HD11  LEU  59          1HD1      LEU  59  -6.369   4.809  -2.054
  375   HD12  LEU  59          2HD1      LEU  59  -5.335   4.983  -0.637
  376   HD13  LEU  59          3HD1      LEU  59  -5.244   3.522  -1.621
  377   HD21  LEU  59          3HD2      LEU  59  -6.654   1.529  -0.518
  378   HD22  LEU  59          1HD2      LEU  59  -8.347   2.015  -0.604
  379   HD23  LEU  59          2HD2      LEU  59  -7.286   2.271  -1.989
  380    H    ILE  60           H        ILE  60  -8.982   3.202   4.179
  381    HA   ILE  60           HA       ILE  60  -6.774   3.039   6.021
  382    HB   ILE  60           HB       ILE  60  -8.730   4.116   6.847
  383   HG12  ILE  60          2HG1      ILE  60  -9.422   2.082   8.592
  384   HG13  ILE  60          1HG1      ILE  60  -7.805   1.629   8.061
  385   HG21  ILE  60          1HG2      ILE  60 -10.279   1.603   6.244
  386   HG22  ILE  60          2HG2      ILE  60 -10.911   3.056   7.017
  387   HG23  ILE  60          3HG2      ILE  60 -10.366   3.114   5.340
  388   HD11  ILE  60          3HD1      ILE  60  -6.996   3.851   8.721
  389   HD12  ILE  60          1HD1      ILE  60  -8.612   4.241   9.310
  390   HD13  ILE  60          2HD1      ILE  60  -7.683   2.949  10.071
  391    H    ILE  61           H        ILE  61  -5.711   1.268   4.992
  392    HA   ILE  61           HA       ILE  61  -6.721  -1.307   5.978
  393    HB   ILE  61           HB       ILE  61  -5.100  -1.703   3.629
  394   HG12  ILE  61          2HG1      ILE  61  -7.611  -0.809   2.537
  395   HG13  ILE  61          1HG1      ILE  61  -6.812   0.520   3.371
  396   HG21  ILE  61          1HG2      ILE  61  -7.942  -2.466   3.631
  397   HG22  ILE  61          2HG2      ILE  61  -6.501  -3.431   3.310
  398   HG23  ILE  61          3HG2      ILE  61  -6.970  -3.070   4.972
  399   HD11  ILE  61          3HD1      ILE  61  -4.937   0.406   1.979
  400   HD12  ILE  61          1HD1      ILE  61  -5.379  -1.189   1.370
  401   HD13  ILE  61          2HD1      ILE  61  -6.323   0.226   0.901
  402    H    ASN  62           H        ASN  62  -5.337  -1.835   7.527
  403    HA   ASN  62           HA       ASN  62  -2.674  -2.520   6.990
  404    HB2  ASN  62           2HB      ASN  62  -2.599   0.090   7.083
  405    HB3  ASN  62           1HB      ASN  62  -2.713  -0.150   8.827
  406   HD21  ASN  62          1HD2      ASN  62  -0.848  -0.935   5.968
  407   HD22  ASN  62          2HD2      ASN  62   0.642  -1.213   6.794
  408    H    ALA  63           H        ALA  63  -5.273  -1.942   9.153
  409    HA   ALA  63           HA       ALA  63  -4.149  -2.399  11.631
  410    HB1  ALA  63           1HB      ALA  63  -6.249  -2.270  12.366
  411    HB2  ALA  63           2HB      ALA  63  -6.684  -1.976  10.682
  412    HB3  ALA  63           3HB      ALA  63  -6.788  -3.605  11.347
  413    H    ALA  64           H        ALA  64  -5.688  -4.829   9.500
  414    HA   ALA  64           HA       ALA  64  -3.880  -6.835  10.640
  415    HB1  ALA  64           1HB      ALA  64  -6.869  -7.148  10.449
  416    HB2  ALA  64           2HB      ALA  64  -5.744  -8.455  10.818
  417    HB3  ALA  64           3HB      ALA  64  -5.901  -7.086  11.921
  418    H    ASN  65           H        ASN  65  -4.768  -5.326   7.973
  419    HA   ASN  65           HA       ASN  65  -5.073  -7.696   6.268
  420    HB2  ASN  65           2HB      ASN  65  -5.422  -4.811   5.442
  421    HB3  ASN  65           1HB      ASN  65  -5.960  -6.247   4.578
  422   HD21  ASN  65          1HD2      ASN  65  -7.784  -7.347   5.295
  423   HD22  ASN  65          2HD2      ASN  65  -8.911  -6.631   6.397
  424    H    CYS  66           H        CYS  66  -2.554  -6.471   7.488
  425    HA   CYS  66           HA       CYS  66  -1.027  -6.312   4.978
  426    HB2  CYS  66           2HB      CYS  66  -1.082  -4.515   7.278
  427    HB3  CYS  66           1HB      CYS  66   0.545  -5.066   6.891
  428    H    VAL  67           H        VAL  67   1.137  -7.166   5.069
  429    HA   VAL  67           HA       VAL  67   1.416  -9.589   6.472
  430    HB   VAL  67           HB       VAL  67   3.741  -7.999   5.403
  431   HG11  VAL  67          1HG1      VAL  67   4.245 -10.523   4.717
  432   HG12  VAL  67          2HG1      VAL  67   4.689  -9.861   6.289
  433   HG13  VAL  67          3HG1      VAL  67   3.221 -10.826   6.119
  434   HG21  VAL  67          3HG2      VAL  67   2.641  -7.922   3.446
  435   HG22  VAL  67          1HG2      VAL  67   3.063  -9.632   3.341
  436   HG23  VAL  67          2HG2      VAL  67   1.476  -9.151   3.939
  437    H    ALA  68           H        ALA  68   3.132  -6.502   6.920
  438    HA   ALA  68           HA       ALA  68   3.075  -6.784   9.780
  439    HB1  ALA  68           1HB      ALA  68   5.103  -7.661  10.088
  440    HB2  ALA  68           2HB      ALA  68   5.350  -7.742   8.343
  441    HB3  ALA  68           3HB      ALA  68   5.813  -6.291   9.234
  Start of MODEL   14
    1    H1   SER   1           1H       SER   1  18.371   6.734   2.848
    2    H2   SER   1           2H       SER   1  17.586   6.342   1.395
    3    H3   SER   1           3H       SER   1  17.013   5.724   2.868
    4    HA   SER   1           HA       SER   1  16.483   7.952   3.617
    5    HB2  SER   1           2HB      SER   1  16.420   9.484   1.341
    6    HB3  SER   1           1HB      SER   1  17.680   9.568   2.571
    7    HG   SER   1           HG       SER   1  19.044   8.577   1.277
    8    H    ALA   2           H        ALA   2  15.879   7.440   0.134
    9    HA   ALA   2           HA       ALA   2  13.075   6.885   0.801
   10    HB1  ALA   2           1HB      ALA   2  13.990   9.255  -0.365
   11    HB2  ALA   2           2HB      ALA   2  13.270   8.326  -1.680
   12    HB3  ALA   2           3HB      ALA   2  12.322   8.698  -0.241
   13    H    THR   3           H        THR   3  12.480   5.006  -0.024
   14    HA   THR   3           HA       THR   3  14.055   3.699  -2.050
   15    HB   THR   3           HB       THR   3  11.660   2.265  -1.556
   16    HG1  THR   3           1HG      THR   3  12.237   2.221   0.903
   17   HG21  THR   3          3HG2      THR   3  14.189   1.604  -1.844
   18   HG22  THR   3          1HG2      THR   3  13.100   0.587  -0.900
   19   HG23  THR   3          2HG2      THR   3  14.198   1.699  -0.083
   20    H    THR   4           H        THR   4  13.504   3.330  -4.154
   21    HA   THR   4           HA       THR   4  11.384   4.922  -5.297
   22    HB   THR   4           HB       THR   4  12.572   2.963  -7.098
   23    HG1  THR   4           1HG      THR   4  14.521   3.036  -6.267
   24   HG21  THR   4          3HG2      THR   4  13.298   5.740  -7.498
   25   HG22  THR   4          1HG2      THR   4  11.571   5.552  -7.196
   26   HG23  THR   4          2HG2      THR   4  12.335   4.671  -8.518
   27    H    ILE   5           H        ILE   5   9.350   4.271  -5.336
   28    HA   ILE   5           HA       ILE   5   8.721   1.535  -4.663
   29    HB   ILE   5           HB       ILE   5   6.951   3.944  -5.069
   30   HG12  ILE   5          2HG1      ILE   5   7.671   2.483  -2.524
   31   HG13  ILE   5          1HG1      ILE   5   8.529   3.909  -3.099
   32   HG21  ILE   5          1HG2      ILE   5   5.143   2.630  -4.140
   33   HG22  ILE   5          2HG2      ILE   5   5.771   1.850  -5.593
   34   HG23  ILE   5          3HG2      ILE   5   6.201   1.227  -3.999
   35   HD11  ILE   5          3HD1      ILE   5   6.641   4.141  -1.337
   36   HD12  ILE   5          1HD1      ILE   5   6.771   5.312  -2.650
   37   HD13  ILE   5          2HD1      ILE   5   5.574   4.019  -2.738
   38    H    GLY   6           H        GLY   6   8.163  -0.001  -5.993
   39    HA2  GLY   6           1HA      GLY   6   6.778   0.689  -8.502
   40    HA3  GLY   6           2HA      GLY   6   7.990  -0.590  -8.439
   41    HA   PRO   7           HA       PRO   7   3.457  -1.677  -6.845
   42    HB2  PRO   7           2HB      PRO   7   2.528  -2.864  -9.172
   43    HB3  PRO   7           1HB      PRO   7   2.120  -1.235  -8.627
   44    HG2  PRO   7           2HG      PRO   7   4.181  -2.109 -10.608
   45    HG3  PRO   7           1HG      PRO   7   3.081  -0.719 -10.672
   46    HD2  PRO   7           2HD      PRO   7   5.644  -0.397 -10.018
   47    HD3  PRO   7           1HD      PRO   7   4.370   0.530  -9.190
   48    H    ASN   8           H        ASN   8   5.956  -3.257  -8.667
   49    HA   ASN   8           HA       ASN   8   4.996  -5.927  -8.120
   50    HB2  ASN   8           2HB      ASN   8   6.553  -4.938 -10.091
   51    HB3  ASN   8           1HB      ASN   8   7.797  -5.542  -9.004
   52   HD21  ASN   8          1HD2      ASN   8   5.175  -6.371 -11.107
   53   HD22  ASN   8          2HD2      ASN   8   5.466  -8.082 -11.124
   54    H    THR   9           H        THR   9   5.852  -3.937  -5.946
   55    HA   THR   9           HA       THR   9   8.106  -5.094  -4.642
   56    HB   THR   9           HB       THR   9   6.699  -3.913  -2.623
   57    HG1  THR   9           1HG      THR   9   6.126  -2.281  -4.863
   58   HG21  THR   9          3HG2      THR   9   8.883  -3.193  -2.938
   59   HG22  THR   9          1HG2      THR   9   7.957  -1.773  -3.429
   60   HG23  THR   9          2HG2      THR   9   8.626  -2.854  -4.650
   61    H    CYS  10           H        CYS  10   4.604  -5.380  -4.286
   62    HA   CYS  10           HA       CYS  10   5.012  -7.854  -2.744
   63    HB2  CYS  10           2HB      CYS  10   2.307  -6.793  -2.668
   64    HB3  CYS  10           1HB      CYS  10   3.388  -7.193  -1.336
   65    H    SER  11           H        SER  11   4.164  -9.728  -3.556
   66    HA   SER  11           HA       SER  11   2.375  -9.629  -5.846
   67    HB2  SER  11           2HB      SER  11   4.837 -11.245  -6.299
   68    HB3  SER  11           1HB      SER  11   3.819 -10.395  -7.460
   69    HG   SER  11           HG       SER  11   4.732  -8.419  -6.394
   70    H    ILE  12           H        ILE  12   2.738 -10.815  -3.012
   71    HA   ILE  12           HA       ILE  12   2.405 -13.643  -3.468
   72    HB   ILE  12           HB       ILE  12   1.384 -12.335  -0.986
   73   HG12  ILE  12          2HG1      ILE  12   4.259 -12.970  -0.923
   74   HG13  ILE  12          1HG1      ILE  12   3.838 -11.557  -1.887
   75   HG21  ILE  12          1HG2      ILE  12   3.059 -14.806  -1.320
   76   HG22  ILE  12          2HG2      ILE  12   2.060 -14.339   0.057
   77   HG23  ILE  12          3HG2      ILE  12   1.302 -14.796  -1.467
   78   HD11  ILE  12          3HD1      ILE  12   2.874 -11.916   0.924
   79   HD12  ILE  12          1HD1      ILE  12   4.419 -11.159   0.538
   80   HD13  ILE  12          2HD1      ILE  12   2.914 -10.444  -0.045
   81    H    ASP  13           H        ASP  13   0.265 -11.321  -1.917
   82    HA   ASP  13           HA       ASP  13  -2.038 -12.421  -3.352
   83    HB2  ASP  13           2HB      ASP  13  -1.904 -11.966  -0.774
   84    HB3  ASP  13           1HB      ASP  13  -2.141 -10.284  -1.233
   85    H    ASP  14           H        ASP  14  -3.667 -10.232  -3.519
   86    HA   ASP  14           HA       ASP  14  -2.334  -8.472  -5.385
   87    HB2  ASP  14           2HB      ASP  14  -4.795  -9.194  -5.529
   88    HB3  ASP  14           1HB      ASP  14  -5.095  -8.052  -4.225
   89    H    TYR  15           H        TYR  15  -0.953  -8.367  -3.155
   90    HA   TYR  15           HA       TYR  15  -1.807  -6.281  -1.358
   91    HB2  TYR  15           2HB      TYR  15   0.621  -8.020  -1.644
   92    HB3  TYR  15           1HB      TYR  15   0.714  -6.577  -0.644
   93    HD1  TYR  15           1HD      TYR  15  -2.363  -6.955   0.156
   94    HD2  TYR  15           2HD      TYR  15   1.115  -9.401   0.318
   95    HE1  TYR  15           1HE      TYR  15  -3.333  -8.205   2.038
   96    HE2  TYR  15           2HE      TYR  15   0.153 -10.657   2.197
   97    HH   TYR  15           HH       TYR  15  -3.090 -10.480   3.058
   98    H    LYS  16           H        LYS  16  -1.524  -4.185  -1.694
   99    HA   LYS  16           HA       LYS  16   0.312  -3.353  -3.823
  100    HB2  LYS  16           2HB      LYS  16  -1.368  -1.272  -2.628
  101    HB3  LYS  16           1HB      LYS  16  -1.118  -1.682  -4.318
  102    HG2  LYS  16           2HG      LYS  16  -2.808  -3.464  -2.639
  103    HG3  LYS  16           1HG      LYS  16  -3.462  -1.926  -3.200
  104    HD2  LYS  16           2HD      LYS  16  -2.173  -3.141  -5.401
  105    HD3  LYS  16           1HD      LYS  16  -3.164  -4.380  -4.632
  106    HE2  LYS  16           2HE      LYS  16  -4.526  -1.817  -4.861
  107    HE3  LYS  16           1HE      LYS  16  -4.043  -2.477  -6.421
  108    HZ1  LYS  16           3HZ      LYS  16  -6.083  -3.436  -6.121
  109    HZ2  LYS  16           1HZ      LYS  16  -5.926  -3.562  -4.440
  110    HZ3  LYS  16           2HZ      LYS  16  -5.094  -4.641  -5.452
  111    HA   PRO  17           HA       PRO  17   3.118  -1.618  -0.877
  112    HB2  PRO  17           2HB      PRO  17   4.120   0.443  -2.384
  113    HB3  PRO  17           1HB      PRO  17   4.633  -1.238  -2.550
  114    HG2  PRO  17           2HG      PRO  17   2.747   0.342  -4.225
  115    HG3  PRO  17           1HG      PRO  17   3.916  -0.894  -4.713
  116    HD2  PRO  17           2HD      PRO  17   1.237  -1.357  -4.495
  117    HD3  PRO  17           1HD      PRO  17   2.467  -2.611  -4.267
  118    H    TYR  18           H        TYR  18   2.542  -0.408   0.805
  119    HA   TYR  18           HA       TYR  18   0.924   1.995   0.279
  120    HB2  TYR  18           2HB      TYR  18   0.466  -0.271   2.164
  121    HB3  TYR  18           1HB      TYR  18  -0.056   1.344   2.643
  122    HD1  TYR  18           1HD      TYR  18  -1.380   2.639   0.729
  123    HD2  TYR  18           2HD      TYR  18  -1.054  -1.585   1.050
  124    HE1  TYR  18           1HE      TYR  18  -3.404   2.392  -0.630
  125    HE2  TYR  18           2HE      TYR  18  -3.083  -1.853  -0.310
  126    HH   TYR  18           HH       TYR  18  -5.199   0.655  -0.970
  127    H    CYS  19           H        CYS  19   1.754   3.796   1.040
  128    HA   CYS  19           HA       CYS  19   3.969   3.694   2.915
  129    HB2  CYS  19           2HB      CYS  19   2.726   5.851   1.229
  130    HB3  CYS  19           1HB      CYS  19   3.828   6.267   2.537
  131    H    CYS  20           H        CYS  20   2.869   2.975   4.766
  132    HA   CYS  20           HA       CYS  20   0.740   4.518   5.908
  133    HB2  CYS  20           2HB      CYS  20   2.515   2.457   7.232
  134    HB3  CYS  20           1HB      CYS  20   0.974   3.055   7.841
  135    H    GLN  21           H        GLN  21   1.261   6.565   6.333
  136    HA   GLN  21           HA       GLN  21   3.854   7.406   7.098
  137    HB2  GLN  21           2HB      GLN  21   1.203   8.849   7.210
  138    HB3  GLN  21           1HB      GLN  21   2.765   9.611   7.488
  139    HG2  GLN  21           2HG      GLN  21   3.203   8.426   5.102
  140    HG3  GLN  21           1HG      GLN  21   1.480   8.771   4.982
  141   HE21  GLN  21          1HE2      GLN  21   0.827  10.791   4.598
  142   HE22  GLN  21          2HE2      GLN  21   1.881  12.161   4.455
  143    H    SER  22           H        SER  22   4.569   8.253   9.065
  144    HA   SER  22           HA       SER  22   3.730   6.736  11.311
  145    HB2  SER  22           2HB      SER  22   5.502   8.995  11.857
  146    HB3  SER  22           1HB      SER  22   5.783   7.266  12.073
  147    HG   SER  22           HG       SER  22   7.180   8.037  10.489
  148    H    MET  23           H        MET  23   1.523   7.432  11.545
  149    HA   MET  23           HA       MET  23   0.994  10.137  12.393
  150    HB2  MET  23           2HB      MET  23  -1.256   8.967  13.131
  151    HB3  MET  23           1HB      MET  23  -0.926   9.313  11.443
  152    HG2  MET  23           2HG      MET  23   0.132   6.779  11.852
  153    HG3  MET  23           1HG      MET  23  -1.373   6.788  12.765
  154    HE1  MET  23           3HE      MET  23  -1.251   9.278   9.890
  155    HE2  MET  23           1HE      MET  23  -0.049   8.164   9.234
  156    HE3  MET  23           2HE      MET  23  -1.615   8.332   8.444
  157    H    SER  24           H        SER  24   1.733   7.081  13.850
  158    HA   SER  24           HA       SER  24   2.253   6.452  15.962
  159    HB2  SER  24           2HB      SER  24   2.938   9.242  16.743
  160    HB3  SER  24           1HB      SER  24   3.862   7.752  16.947
  161    HG   SER  24           HG       SER  24   3.465   9.181  14.519
  162    H    GLY  25           H        GLY  25  -0.187   6.222  16.210
  163    HA2  GLY  25           1HA      GLY  25  -1.031   6.597  18.725
  164    HA3  GLY  25           2HA      GLY  25  -1.400   8.159  18.008
  165    H    SER  26           H        SER  26  -2.390   7.698  15.633
  166    HA   SER  26           HA       SER  26  -4.959   6.657  16.021
  167    HB2  SER  26           2HB      SER  26  -3.567   6.925  13.349
  168    HB3  SER  26           1HB      SER  26  -5.298   7.016  13.673
  169    HG   SER  26           HG       SER  26  -3.316   8.862  14.569
  170    H    ALA  27           H        ALA  27  -5.797   4.659  15.838
  171    HA   ALA  27           HA       ALA  27  -3.980   2.444  15.617
  172    HB1  ALA  27           1HB      ALA  27  -5.720   2.358  17.278
  173    HB2  ALA  27           2HB      ALA  27  -6.962   2.543  16.040
  174    HB3  ALA  27           3HB      ALA  27  -5.985   1.075  16.097
  175    H    SER  28           H        SER  28  -6.269   4.058  13.602
  176    HA   SER  28           HA       SER  28  -5.970   2.049  11.500
  177    HB2  SER  28           2HB      SER  28  -7.567   4.358  10.776
  178    HB3  SER  28           1HB      SER  28  -8.042   2.663  10.880
  179    HG   SER  28           HG       SER  28  -8.840   2.992  12.815
  180    H    LEU  29           H        LEU  29  -4.510   2.360   9.927
  181    HA   LEU  29           HA       LEU  29  -2.984   4.843  10.002
  182    HB2  LEU  29           2HB      LEU  29  -1.954   2.850   8.182
  183    HB3  LEU  29           1HB      LEU  29  -1.182   3.611   9.559
  184    HG   LEU  29           HG       LEU  29  -3.117   1.641  10.420
  185   HD11  LEU  29          1HD1      LEU  29  -1.920  -0.341   9.620
  186   HD12  LEU  29          2HD1      LEU  29  -2.640   0.573   8.294
  187   HD13  LEU  29          3HD1      LEU  29  -0.907   0.689   8.605
  188   HD21  LEU  29          3HD2      LEU  29  -0.861   2.767  11.394
  189   HD22  LEU  29          1HD2      LEU  29  -1.558   1.267  12.004
  190   HD23  LEU  29          2HD2      LEU  29  -0.233   1.213  10.840
  191    H    GLY  30           H        GLY  30  -2.837   6.254   8.381
  192    HA2  GLY  30           1HA      GLY  30  -4.579   5.867   6.071
  193    HA3  GLY  30           2HA      GLY  30  -3.782   7.366   6.539
  194    H    CYS  31           H        CYS  31  -3.079   4.106   5.335
  195    HA   CYS  31           HA       CYS  31  -0.524   4.879   4.294
  196    HB2  CYS  31           2HB      CYS  31  -1.983   2.354   3.582
  197    HB3  CYS  31           1HB      CYS  31  -0.247   2.627   3.686
  198    H    VAL  32           H        VAL  32  -0.442   6.182   2.597
  199    HA   VAL  32           HA       VAL  32  -2.421   6.111   0.506
  200    HB   VAL  32           HB       VAL  32  -0.654   7.640  -0.657
  201   HG11  VAL  32          1HG1      VAL  32  -1.379   9.552   0.932
  202   HG12  VAL  32          2HG1      VAL  32  -2.613   8.669   0.033
  203   HG13  VAL  32          3HG1      VAL  32  -2.328   8.299   1.733
  204   HG21  VAL  32          3HG2      VAL  32   0.345   7.702   2.191
  205   HG22  VAL  32          1HG2      VAL  32   1.229   7.090   0.793
  206   HG23  VAL  32          2HG2      VAL  32   0.836   8.806   0.905
  207    H    VAL  33           H        VAL  33  -2.157   5.311  -1.575
  208    HA   VAL  33           HA       VAL  33  -0.611   2.965  -1.791
  209    HB   VAL  33           HB       VAL  33  -2.677   3.226  -3.047
  210   HG11  VAL  33          1HG1      VAL  33  -3.153   4.881  -4.491
  211   HG12  VAL  33          2HG1      VAL  33  -1.879   5.739  -3.624
  212   HG13  VAL  33          3HG1      VAL  33  -1.517   4.924  -5.146
  213   HG21  VAL  33          3HG2      VAL  33  -0.451   2.979  -5.055
  214   HG22  VAL  33          1HG2      VAL  33  -0.779   1.740  -3.844
  215   HG23  VAL  33          2HG2      VAL  33  -2.011   2.154  -5.036
  216    H    GLY  34           H        GLY  34   1.367   2.568  -2.510
  217    HA2  GLY  34           1HA      GLY  34   3.113   4.737  -3.230
  218    HA3  GLY  34           2HA      GLY  34   3.536   3.029  -3.160
  219    H    VAL  35           H        VAL  35   2.868   5.640  -5.171
  220    HA   VAL  35           HA       VAL  35   1.883   4.135  -7.419
  221    HB   VAL  35           HB       VAL  35   3.052   6.861  -7.769
  222   HG11  VAL  35          1HG1      VAL  35   1.329   7.124  -9.367
  223   HG12  VAL  35          2HG1      VAL  35   1.947   5.486  -9.587
  224   HG13  VAL  35          3HG1      VAL  35   0.428   5.749  -8.730
  225   HG21  VAL  35          3HG2      VAL  35   1.249   7.994  -6.770
  226   HG22  VAL  35          1HG2      VAL  35   0.321   6.511  -6.557
  227   HG23  VAL  35          2HG2      VAL  35   1.757   6.802  -5.575
  228    H    ILE  36           H        ILE  36   2.999   3.982  -9.450
  229    HA   ILE  36           HA       ILE  36   5.625   2.984  -9.214
  230    HB   ILE  36           HB       ILE  36   4.557   3.888 -11.863
  231   HG12  ILE  36          2HG1      ILE  36   3.543   1.332 -11.560
  232   HG13  ILE  36          1HG1      ILE  36   3.191   2.080 -10.006
  233   HG21  ILE  36          1HG2      ILE  36   5.643   1.908 -12.669
  234   HG22  ILE  36          2HG2      ILE  36   6.765   2.775 -11.619
  235   HG23  ILE  36          3HG2      ILE  36   5.929   1.341 -11.023
  236   HD11  ILE  36          3HD1      ILE  36   2.483   3.942 -12.000
  237   HD12  ILE  36          1HD1      ILE  36   1.836   2.376 -12.489
  238   HD13  ILE  36          2HD1      ILE  36   1.424   3.046 -10.910
  239    H    GLY  37           H        GLY  37   7.385   4.162  -8.886
  240    HA2  GLY  37           1HA      GLY  37   9.018   5.717  -9.624
  241    HA3  GLY  37           2HA      GLY  37   7.755   6.613 -10.456
  242    H    SER  38           H        SER  38   6.744   5.727  -7.382
  243    HA   SER  38           HA       SER  38   7.288   8.414  -6.370
  244    HB2  SER  38           2HB      SER  38   5.442   6.228  -5.386
  245    HB3  SER  38           1HB      SER  38   5.635   7.791  -4.594
  246    HG   SER  38           HG       SER  38   5.182   8.203  -7.190
  247    H    GLN  39           H        GLN  39   7.661   8.438  -3.873
  248    HA   GLN  39           HA       GLN  39   9.616   6.349  -3.179
  249    HB2  GLN  39           2HB      GLN  39   9.926   9.332  -3.099
  250    HB3  GLN  39           1HB      GLN  39  10.793   8.335  -1.940
  251    HG2  GLN  39           2HG      GLN  39  11.939   7.179  -3.694
  252    HG3  GLN  39           1HG      GLN  39  10.960   7.979  -4.923
  253   HE21  GLN  39          1HE2      GLN  39  13.902   7.897  -4.305
  254   HE22  GLN  39          2HE2      GLN  39  14.384   9.564  -4.270
  255    H    CYS  40           H        CYS  40  10.044   6.268  -0.802
  256    HA   CYS  40           HA       CYS  40   7.770   7.215   0.784
  257    HB2  CYS  40           2HB      CYS  40   7.693   4.705  -0.082
  258    HB3  CYS  40           1HB      CYS  40   8.756   4.449   1.296
  259    H    GLY  41           H        GLY  41   8.197   7.579   2.948
  260    HA2  GLY  41           1HA      GLY  41  10.934   7.027   3.888
  261    HA3  GLY  41           2HA      GLY  41  10.268   8.650   4.026
  262    H    ALA  42           H        ALA  42   8.189   5.911   4.406
  263    HA   ALA  42           HA       ALA  42   8.306   6.127   7.326
  264    HB1  ALA  42           1HB      ALA  42   6.470   7.587   6.256
  265    HB2  ALA  42           2HB      ALA  42   5.653   6.060   5.926
  266    HB3  ALA  42           3HB      ALA  42   6.020   6.523   7.588
  267    H    SER  43           H        SER  43   5.884   4.453   7.524
  268    HA   SER  43           HA       SER  43   7.148   1.899   7.250
  269    HB2  SER  43           2HB      SER  43   4.282   1.841   7.814
  270    HB3  SER  43           1HB      SER  43   5.632   1.259   8.792
  271    HG   SER  43           HG       SER  43   4.444   3.817   8.722
  272    H    VAL  44           H        VAL  44   7.456   1.631   5.012
  273    HA   VAL  44           HA       VAL  44   5.181   1.586   3.249
  274    HB   VAL  44           HB       VAL  44   7.204   2.214   2.191
  275   HG11  VAL  44          1HG1      VAL  44   8.762   1.286   3.840
  276   HG12  VAL  44          2HG1      VAL  44   8.472  -0.329   3.194
  277   HG13  VAL  44          3HG1      VAL  44   9.241   0.898   2.187
  278   HG21  VAL  44          3HG2      VAL  44   5.787  -0.078   1.352
  279   HG22  VAL  44          1HG2      VAL  44   6.680   1.076   0.361
  280   HG23  VAL  44          2HG2      VAL  44   7.490  -0.357   0.994
  281    H    LYS  45           H        LYS  45   3.736   0.061   3.430
  282    HA   LYS  45           HA       LYS  45   4.619  -2.674   4.086
  283    HB2  LYS  45           2HB      LYS  45   2.018  -1.302   4.798
  284    HB3  LYS  45           1HB      LYS  45   2.383  -2.989   5.119
  285    HG2  LYS  45           2HG      LYS  45   4.504  -1.619   6.248
  286    HG3  LYS  45           1HG      LYS  45   3.095  -0.620   6.608
  287    HD2  LYS  45           2HD      LYS  45   2.889  -3.561   7.031
  288    HD3  LYS  45           1HD      LYS  45   3.816  -2.610   8.194
  289    HE2  LYS  45           2HE      LYS  45   1.981  -1.496   8.952
  290    HE3  LYS  45           1HE      LYS  45   1.138  -1.607   7.411
  291    HZ1  LYS  45           3HZ      LYS  45   0.916  -3.283   9.683
  292    HZ2  LYS  45           1HZ      LYS  45   1.424  -4.206   8.355
  293    HZ3  LYS  45           2HZ      LYS  45  -0.005  -3.298   8.263
  294    H    CYS  46           H        CYS  46   2.509  -4.146   3.537
  295    HA   CYS  46           HA       CYS  46   1.616  -3.483   0.822
  296    HB2  CYS  46           2HB      CYS  46   2.902  -6.071   1.712
  297    HB3  CYS  46           1HB      CYS  46   1.964  -5.926   0.229
  298    H    CYS  47           H        CYS  47  -0.518  -3.241   1.178
  299    HA   CYS  47           HA       CYS  47  -1.890  -5.266   2.832
  300    HB2  CYS  47           2HB      CYS  47  -1.930  -2.314   2.929
  301    HB3  CYS  47           1HB      CYS  47  -3.506  -3.086   3.040
  302    H    LYS  48           H        LYS  48  -4.228  -5.430   2.383
  303    HA   LYS  48           HA       LYS  48  -4.820  -5.299  -0.455
  304    HB2  LYS  48           2HB      LYS  48  -6.115  -6.491   1.963
  305    HB3  LYS  48           1HB      LYS  48  -7.127  -6.136   0.573
  306    HG2  LYS  48           2HG      LYS  48  -4.806  -7.513  -0.325
  307    HG3  LYS  48           1HG      LYS  48  -5.501  -8.395   1.032
  308    HD2  LYS  48           2HD      LYS  48  -6.727  -7.736  -1.624
  309    HD3  LYS  48           1HD      LYS  48  -6.619  -9.293  -0.805
  310    HE2  LYS  48           2HE      LYS  48  -8.173  -8.298   0.954
  311    HE3  LYS  48           1HE      LYS  48  -8.447  -6.987  -0.193
  312    HZ1  LYS  48           3HZ      LYS  48  -9.428  -9.706  -0.223
  313    HZ2  LYS  48           1HZ      LYS  48  -8.859  -9.157  -1.725
  314    HZ3  LYS  48           2HZ      LYS  48 -10.089  -8.309  -0.923
  315    H    ASP  49           H        ASP  49  -6.389  -3.952  -1.374
  316    HA   ASP  49           HA       ASP  49  -7.268  -1.719   0.307
  317    HB2  ASP  49           2HB      ASP  49  -7.856  -0.572  -1.761
  318    HB3  ASP  49           1HB      ASP  49  -6.206  -1.175  -1.861
  319    H    ASP  50           H        ASP  50  -8.382  -4.573  -1.211
  320    HA   ASP  50           HA       ASP  50 -11.175  -3.920  -1.143
  321    HB2  ASP  50           2HB      ASP  50 -10.421  -5.510  -2.786
  322    HB3  ASP  50           1HB      ASP  50  -9.682  -6.520  -1.548
  323    H    VAL  51           H        VAL  51 -10.853  -3.152   1.130
  324    HA   VAL  51           HA       VAL  51 -12.069  -5.114   2.876
  325    HB   VAL  51           HB       VAL  51 -10.361  -3.863   4.672
  326   HG11  VAL  51          1HG1      VAL  51  -9.404  -6.479   3.884
  327   HG12  VAL  51          2HG1      VAL  51 -10.162  -5.955   5.388
  328   HG13  VAL  51          3HG1      VAL  51 -11.163  -6.422   4.012
  329   HG21  VAL  51          3HG2      VAL  51  -8.635  -3.147   3.397
  330   HG22  VAL  51          1HG2      VAL  51  -8.131  -4.829   3.560
  331   HG23  VAL  51          2HG2      VAL  51  -8.968  -4.297   2.102
  332    H    THR  52           H        THR  52 -10.557  -1.889   3.018
  333    HA   THR  52           HA       THR  52 -12.997  -0.779   4.142
  334    HB   THR  52           HB       THR  52 -11.276   1.330   3.574
  335    HG1  THR  52           1HG      THR  52  -9.243   0.578   4.327
  336   HG21  THR  52          3HG2      THR  52 -11.989   1.610   5.679
  337   HG22  THR  52          1HG2      THR  52 -10.662   0.557   6.168
  338   HG23  THR  52          2HG2      THR  52 -12.267  -0.120   5.888
  339    H    ASN  53           H        ASN  53 -11.211  -0.965   1.178
  340    HA   ASN  53           HA       ASN  53 -11.651  -0.410  -0.962
  341    HB2  ASN  53           2HB      ASN  53 -13.936  -1.472  -0.086
  342    HB3  ASN  53           1HB      ASN  53 -14.526   0.151  -0.427
  343   HD21  ASN  53          1HD2      ASN  53 -15.634  -0.043  -2.242
  344   HD22  ASN  53          2HD2      ASN  53 -15.052  -0.756  -3.709
  345    H    THR  54           H        THR  54 -10.850   1.656   0.833
  346    HA   THR  54           HA       THR  54 -12.301   4.045   0.133
  347    HB   THR  54           HB       THR  54  -9.583   4.399   1.166
  348    HG1  THR  54           1HG      THR  54 -11.426   3.091   2.885
  349   HG21  THR  54          3HG2      THR  54 -12.354   5.317   1.783
  350   HG22  THR  54          1HG2      THR  54 -10.894   6.261   1.483
  351   HG23  THR  54          2HG2      THR  54 -11.123   5.460   3.037
  352    H    GLY  55           H        GLY  55 -11.977   3.263  -2.231
  353    HA2  GLY  55           1HA      GLY  55  -9.388   3.602  -3.411
  354    HA3  GLY  55           2HA      GLY  55 -10.901   3.355  -4.265
  355    H    ASN  56           H        ASN  56  -9.282   5.853  -2.326
  356    HA   ASN  56           HA       ASN  56  -9.820   7.758  -4.479
  357    HB2  ASN  56           2HB      ASN  56 -10.345   9.513  -2.714
  358    HB3  ASN  56           1HB      ASN  56 -11.592   8.306  -2.992
  359   HD21  ASN  56          1HD2      ASN  56 -12.467   7.475  -1.248
  360   HD22  ASN  56          2HD2      ASN  56 -11.740   7.391   0.316
  361    H    SER  57           H        SER  57  -8.775   9.835  -2.449
  362    HA   SER  57           HA       SER  57  -6.050   9.563  -3.297
  363    HB2  SER  57           2HB      SER  57  -6.574  11.681  -1.365
  364    HB3  SER  57           1HB      SER  57  -6.008  11.795  -3.033
  365    HG   SER  57           HG       SER  57  -7.976  12.746  -3.061
  366    H    GLY  58           H        GLY  58  -7.815   9.167  -0.279
  367    HA2  GLY  58           1HA      GLY  58  -5.255   8.459   1.023
  368    HA3  GLY  58           2HA      GLY  58  -6.533   9.329   1.861
  369    H    LEU  59           H        LEU  59  -5.343   6.261   0.886
  370    HA   LEU  59           HA       LEU  59  -7.779   4.858   1.581
  371    HB2  LEU  59           2HB      LEU  59  -5.646   4.292  -0.077
  372    HB3  LEU  59           1HB      LEU  59  -5.368   3.243   1.300
  373    HG   LEU  59           HG       LEU  59  -8.112   3.262   0.178
  374   HD11  LEU  59          1HD1      LEU  59  -7.687   2.183  -1.772
  375   HD12  LEU  59          2HD1      LEU  59  -6.255   3.211  -1.704
  376   HD13  LEU  59          3HD1      LEU  59  -6.153   1.522  -1.207
  377   HD21  LEU  59          3HD2      LEU  59  -8.028   0.925   0.740
  378   HD22  LEU  59          1HD2      LEU  59  -6.294   1.019   1.046
  379   HD23  LEU  59          2HD2      LEU  59  -7.425   1.864   2.105
  380    H    ILE  60           H        ILE  60  -8.283   4.508   3.617
  381    HA   ILE  60           HA       ILE  60  -6.142   4.197   5.587
  382    HB   ILE  60           HB       ILE  60  -7.853   5.861   6.126
  383   HG12  ILE  60          2HG1      ILE  60  -8.656   4.015   8.184
  384   HG13  ILE  60          1HG1      ILE  60  -6.955   3.783   7.787
  385   HG21  ILE  60          1HG2      ILE  60 -10.151   5.172   6.676
  386   HG22  ILE  60          2HG2      ILE  60  -9.761   4.961   4.970
  387   HG23  ILE  60          3HG2      ILE  60  -9.795   3.564   6.045
  388   HD11  ILE  60          3HD1      ILE  60  -8.035   6.525   8.286
  389   HD12  ILE  60          1HD1      ILE  60  -7.597   5.463   9.624
  390   HD13  ILE  60          2HD1      ILE  60  -6.381   5.927   8.435
  391    H    ILE  61           H        ILE  61  -5.597   2.224   6.265
  392    HA   ILE  61           HA       ILE  61  -7.504   0.036   5.736
  393    HB   ILE  61           HB       ILE  61  -4.632  -0.646   5.620
  394   HG12  ILE  61          2HG1      ILE  61  -5.739   0.392   3.074
  395   HG13  ILE  61          1HG1      ILE  61  -5.234   1.594   4.258
  396   HG21  ILE  61          1HG2      ILE  61  -5.435  -2.089   3.784
  397   HG22  ILE  61          2HG2      ILE  61  -6.315  -2.338   5.292
  398   HG23  ILE  61          3HG2      ILE  61  -7.048  -1.404   3.988
  399   HD11  ILE  61          3HD1      ILE  61  -3.638  -0.195   2.588
  400   HD12  ILE  61          1HD1      ILE  61  -3.233   1.369   3.298
  401   HD13  ILE  61          2HD1      ILE  61  -3.114  -0.099   4.268
  402    H    ASN  62           H        ASN  62  -7.053  -1.948   6.953
  403    HA   ASN  62           HA       ASN  62  -6.459  -1.348   9.721
  404    HB2  ASN  62           2HB      ASN  62  -8.306  -2.983   8.609
  405    HB3  ASN  62           1HB      ASN  62  -7.016  -4.144   8.908
  406   HD21  ASN  62          1HD2      ASN  62  -9.238  -4.609  10.238
  407   HD22  ASN  62          2HD2      ASN  62  -9.085  -4.160  11.905
  408    H    ALA  63           H        ALA  63  -4.868  -2.402  10.943
  409    HA   ALA  63           HA       ALA  63  -2.382  -2.389   9.645
  410    HB1  ALA  63           1HB      ALA  63  -2.791  -3.633  12.337
  411    HB2  ALA  63           2HB      ALA  63  -1.423  -2.694  11.741
  412    HB3  ALA  63           3HB      ALA  63  -2.954  -1.893  12.098
  413    H    ALA  64           H        ALA  64  -4.331  -5.109  10.850
  414    HA   ALA  64           HA       ALA  64  -2.237  -6.991  10.188
  415    HB1  ALA  64           1HB      ALA  64  -4.572  -6.990  11.851
  416    HB2  ALA  64           2HB      ALA  64  -4.542  -8.430  10.833
  417    HB3  ALA  64           3HB      ALA  64  -3.171  -8.061  11.880
  418    H    ASN  65           H        ASN  65  -4.032  -5.447   8.100
  419    HA   ASN  65           HA       ASN  65  -4.752  -7.825   6.535
  420    HB2  ASN  65           2HB      ASN  65  -6.080  -5.420   6.793
  421    HB3  ASN  65           1HB      ASN  65  -5.247  -5.241   5.249
  422   HD21  ASN  65          1HD2      ASN  65  -7.545  -7.158   7.053
  423   HD22  ASN  65          2HD2      ASN  65  -8.282  -7.920   5.686
  424    H    CYS  66           H        CYS  66  -2.073  -6.535   7.181
  425    HA   CYS  66           HA       CYS  66  -1.019  -6.358   4.441
  426    HB2  CYS  66           2HB      CYS  66  -0.247  -5.160   7.052
  427    HB3  CYS  66           1HB      CYS  66   1.069  -5.627   5.983
  428    H    VAL  67           H        VAL  67   1.293  -7.331   4.310
  429    HA   VAL  67           HA       VAL  67   1.320 -10.038   5.068
  430    HB   VAL  67           HB       VAL  67   3.976  -8.770   4.803
  431   HG11  VAL  67          1HG1      VAL  67   3.939 -10.612   2.917
  432   HG12  VAL  67          2HG1      VAL  67   4.113 -11.040   4.620
  433   HG13  VAL  67          3HG1      VAL  67   2.542 -11.185   3.829
  434   HG21  VAL  67          3HG2      VAL  67   2.941  -8.944   2.158
  435   HG22  VAL  67          1HG2      VAL  67   1.896  -7.879   3.098
  436   HG23  VAL  67          2HG2      VAL  67   3.624  -7.544   2.986
  437    H    ALA  68           H        ALA  68   2.706  -7.161   6.541
  438    HA   ALA  68           HA       ALA  68   2.814  -8.579   9.099
  439    HB1  ALA  68           1HB      ALA  68   4.933  -6.582   8.354
  440    HB2  ALA  68           2HB      ALA  68   4.939  -7.762   9.664
  441    HB3  ALA  68           3HB      ALA  68   5.121  -8.298   7.993
  Start of MODEL   15
    1    H1   SER   1           1H       SER   1  15.857   7.720   6.100
    2    H2   SER   1           2H       SER   1  14.554   8.702   5.648
    3    H3   SER   1           3H       SER   1  15.883   8.534   4.610
    4    HA   SER   1           HA       SER   1  15.390   6.196   4.320
    5    HB2  SER   1           2HB      SER   1  12.684   6.336   5.395
    6    HB3  SER   1           1HB      SER   1  13.924   5.107   5.639
    7    HG   SER   1           HG       SER   1  13.324   6.217   7.584
    8    H    ALA   2           H        ALA   2  14.938   6.211   2.228
    9    HA   ALA   2           HA       ALA   2  12.467   7.480   1.308
   10    HB1  ALA   2           1HB      ALA   2  14.886   7.892  -0.373
   11    HB2  ALA   2           2HB      ALA   2  13.421   8.866  -0.239
   12    HB3  ALA   2           3HB      ALA   2  14.646   8.941   1.027
   13    H    THR   3           H        THR   3  11.849   5.244   1.247
   14    HA   THR   3           HA       THR   3  13.208   3.344  -0.374
   15    HB   THR   3           HB       THR   3  10.337   2.901   0.105
   16    HG1  THR   3           1HG      THR   3  12.168   3.295   2.276
   17   HG21  THR   3          3HG2      THR   3  12.359   1.176   1.359
   18   HG22  THR   3          1HG2      THR   3  12.510   1.331  -0.392
   19   HG23  THR   3          2HG2      THR   3  11.000   0.757   0.317
   20    H    THR   4           H        THR   4  13.063   2.972  -2.499
   21    HA   THR   4           HA       THR   4  11.418   4.639  -4.167
   22    HB   THR   4           HB       THR   4  12.599   2.388  -5.552
   23    HG1  THR   4           1HG      THR   4  14.674   3.906  -4.556
   24   HG21  THR   4          3HG2      THR   4  12.115   5.087  -5.970
   25   HG22  THR   4          1HG2      THR   4  12.965   3.993  -7.063
   26   HG23  THR   4          2HG2      THR   4  13.874   4.972  -5.911
   27    H    ILE   5           H        ILE   5   9.408   4.197  -4.820
   28    HA   ILE   5           HA       ILE   5   8.300   1.608  -4.073
   29    HB   ILE   5           HB       ILE   5   6.849   4.067  -5.048
   30   HG12  ILE   5          2HG1      ILE   5   7.028   3.040  -2.210
   31   HG13  ILE   5          1HG1      ILE   5   8.095   4.290  -2.842
   32   HG21  ILE   5          1HG2      ILE   5   5.919   1.436  -3.936
   33   HG22  ILE   5          2HG2      ILE   5   4.898   2.874  -3.959
   34   HG23  ILE   5          3HG2      ILE   5   5.494   2.193  -5.471
   35   HD11  ILE   5          3HD1      ILE   5   5.795   5.403  -3.504
   36   HD12  ILE   5          1HD1      ILE   5   5.216   4.412  -2.165
   37   HD13  ILE   5          2HD1      ILE   5   6.498   5.594  -1.898
   38    H    GLY   6           H        GLY   6   7.994   0.063  -5.460
   39    HA2  GLY   6           1HA      GLY   6   7.040   0.744  -8.157
   40    HA3  GLY   6           2HA      GLY   6   8.275  -0.497  -7.942
   41    HA   PRO   7           HA       PRO   7   3.547  -1.715  -6.928
   42    HB2  PRO   7           2HB      PRO   7   3.558  -2.495  -9.802
   43    HB3  PRO   7           1HB      PRO   7   2.231  -1.896  -8.801
   44    HG2  PRO   7           2HG      PRO   7   3.440  -0.300 -10.549
   45    HG3  PRO   7           1HG      PRO   7   2.925   0.303  -8.965
   46    HD2  PRO   7           2HD      PRO   7   5.654  -0.354  -9.947
   47    HD3  PRO   7           1HD      PRO   7   5.129   0.897  -8.801
   48    H    ASN   8           H        ASN   8   6.284  -3.051  -8.594
   49    HA   ASN   8           HA       ASN   8   5.392  -5.783  -8.399
   50    HB2  ASN   8           2HB      ASN   8   7.131  -4.543 -10.065
   51    HB3  ASN   8           1HB      ASN   8   8.253  -5.262  -8.912
   52   HD21  ASN   8          1HD2      ASN   8   8.967  -7.163  -9.517
   53   HD22  ASN   8          2HD2      ASN   8   8.087  -8.345 -10.432
   54    H    THR   9           H        THR   9   6.133  -3.854  -6.011
   55    HA   THR   9           HA       THR   9   8.045  -5.377  -4.523
   56    HB   THR   9           HB       THR   9   6.719  -4.124  -2.567
   57    HG1  THR   9           1HG      THR   9   6.231  -2.356  -4.724
   58   HG21  THR   9          3HG2      THR   9   9.017  -3.612  -4.066
   59   HG22  THR   9          1HG2      THR   9   8.572  -2.884  -2.524
   60   HG23  THR   9          2HG2      THR   9   8.140  -2.082  -4.033
   61    H    CYS  10           H        CYS  10   4.730  -4.763  -3.517
   62    HA   CYS  10           HA       CYS  10   4.412  -7.545  -2.735
   63    HB2  CYS  10           2HB      CYS  10   2.233  -5.517  -2.475
   64    HB3  CYS  10           1HB      CYS  10   2.657  -6.842  -1.398
   65    H    SER  11           H        SER  11   3.367  -8.995  -3.944
   66    HA   SER  11           HA       SER  11   1.257  -8.330  -5.748
   67    HB2  SER  11           2HB      SER  11   3.251  -9.650  -7.392
   68    HB3  SER  11           1HB      SER  11   2.326  -8.187  -7.726
   69    HG   SER  11           HG       SER  11   3.883  -7.020  -6.515
   70    H    ILE  12           H        ILE  12   2.028 -10.116  -3.500
   71    HA   ILE  12           HA       ILE  12   2.023 -12.792  -4.562
   72    HB   ILE  12           HB       ILE  12   1.063 -12.515  -1.812
   73   HG12  ILE  12          2HG1      ILE  12   3.922 -11.691  -2.180
   74   HG13  ILE  12          1HG1      ILE  12   2.652 -10.473  -2.246
   75   HG21  ILE  12          1HG2      ILE  12   3.550 -13.820  -1.938
   76   HG22  ILE  12          2HG2      ILE  12   1.944 -14.542  -1.827
   77   HG23  ILE  12          3HG2      ILE  12   2.671 -14.248  -3.407
   78   HD11  ILE  12          3HD1      ILE  12   3.194 -12.335   0.058
   79   HD12  ILE  12          1HD1      ILE  12   3.617 -10.625  -0.020
   80   HD13  ILE  12          2HD1      ILE  12   1.922 -11.116  -0.007
   81    H    ASP  13           H        ASP  13  -0.235 -11.139  -2.415
   82    HA   ASP  13           HA       ASP  13  -2.495 -12.297  -3.871
   83    HB2  ASP  13           2HB      ASP  13  -2.136 -12.135  -1.221
   84    HB3  ASP  13           1HB      ASP  13  -2.854 -10.549  -1.479
   85    H    ASP  14           H        ASP  14  -4.261 -10.080  -3.093
   86    HA   ASP  14           HA       ASP  14  -3.532  -8.145  -5.108
   87    HB2  ASP  14           2HB      ASP  14  -5.926  -8.945  -4.225
   88    HB3  ASP  14           1HB      ASP  14  -5.709  -7.560  -3.160
   89    H    TYR  15           H        TYR  15  -1.644  -8.417  -3.021
   90    HA   TYR  15           HA       TYR  15  -1.900  -6.115  -1.277
   91    HB2  TYR  15           2HB      TYR  15   0.362  -8.088  -1.701
   92    HB3  TYR  15           1HB      TYR  15   0.381  -6.794  -0.509
   93    HD1  TYR  15           1HD      TYR  15  -2.439  -6.979   0.468
   94    HD2  TYR  15           2HD      TYR  15   0.430 -10.007  -0.356
   95    HE1  TYR  15           1HE      TYR  15  -3.534  -8.448   2.104
   96    HE2  TYR  15           2HE      TYR  15  -0.659 -11.490   1.278
   97    HH   TYR  15           HH       TYR  15  -3.140 -11.666   2.238
   98    H    LYS  16           H        LYS  16  -0.926  -4.185  -1.553
   99    HA   LYS  16           HA       LYS  16   0.907  -3.873  -3.838
  100    HB2  LYS  16           2HB      LYS  16  -0.688  -1.493  -3.317
  101    HB3  LYS  16           1HB      LYS  16  -0.367  -2.309  -4.838
  102    HG2  LYS  16           2HG      LYS  16  -2.214  -3.834  -3.251
  103    HG3  LYS  16           1HG      LYS  16  -2.778  -2.174  -3.455
  104    HD2  LYS  16           2HD      LYS  16  -1.992  -2.678  -5.965
  105    HD3  LYS  16           1HD      LYS  16  -2.409  -4.318  -5.463
  106    HE2  LYS  16           2HE      LYS  16  -4.213  -1.917  -5.226
  107    HE3  LYS  16           1HE      LYS  16  -4.291  -3.115  -6.517
  108    HZ1  LYS  16           3HZ      LYS  16  -5.795  -3.296  -4.396
  109    HZ2  LYS  16           1HZ      LYS  16  -4.425  -4.059  -3.751
  110    HZ3  LYS  16           2HZ      LYS  16  -5.161  -4.686  -5.143
  111    HA   PRO  17           HA       PRO  17   3.446  -1.546  -1.017
  112    HB2  PRO  17           2HB      PRO  17   4.364   0.480  -2.577
  113    HB3  PRO  17           1HB      PRO  17   4.950  -1.182  -2.724
  114    HG2  PRO  17           2HG      PRO  17   2.878   0.239  -4.353
  115    HG3  PRO  17           1HG      PRO  17   4.211  -0.782  -4.905
  116    HD2  PRO  17           2HD      PRO  17   1.704  -1.725  -4.722
  117    HD3  PRO  17           1HD      PRO  17   3.108  -2.743  -4.338
  118    H    TYR  18           H        TYR  18   2.169  -0.646   0.514
  119    HA   TYR  18           HA       TYR  18   0.868   1.909  -0.154
  120    HB2  TYR  18           2HB      TYR  18   0.166  -0.254   1.810
  121    HB3  TYR  18           1HB      TYR  18  -0.417   1.391   2.041
  122    HD1  TYR  18           2HD      TYR  18  -1.793   2.447   0.171
  123    HD2  TYR  18           1HD      TYR  18  -0.930  -1.714   0.339
  124    HE1  TYR  18           2HE      TYR  18  -3.658   2.004  -1.370
  125    HE2  TYR  18           1HE      TYR  18  -2.784  -2.169  -1.203
  126    HH   TYR  18           HH       TYR  18  -5.132  -0.702  -1.751
  127    H    CYS  19           H        CYS  19   1.755   3.661   0.648
  128    HA   CYS  19           HA       CYS  19   3.857   3.502   2.622
  129    HB2  CYS  19           2HB      CYS  19   3.315   5.213   0.522
  130    HB3  CYS  19           1HB      CYS  19   2.883   6.180   1.931
  131    H    CYS  20           H        CYS  20   2.399   2.591   4.218
  132    HA   CYS  20           HA       CYS  20   0.257   4.094   5.319
  133    HB2  CYS  20           2HB      CYS  20   1.375   1.490   5.640
  134    HB3  CYS  20           1HB      CYS  20   1.255   2.240   7.229
  135    H    GLN  21           H        GLN  21   0.643   5.996   6.221
  136    HA   GLN  21           HA       GLN  21   3.024   6.645   7.624
  137    HB2  GLN  21           2HB      GLN  21   0.376   7.948   7.195
  138    HB3  GLN  21           1HB      GLN  21   1.383   8.540   8.510
  139    HG2  GLN  21           2HG      GLN  21   2.558   8.217   5.787
  140    HG3  GLN  21           1HG      GLN  21   1.536   9.610   6.142
  141   HE21  GLN  21          1HE2      GLN  21   3.705  10.603   5.548
  142   HE22  GLN  21          2HE2      GLN  21   4.780  10.924   6.868
  143    H    SER  22           H        SER  22   3.474   5.309   9.291
  144    HA   SER  22           HA       SER  22   1.398   4.937  11.346
  145    HB2  SER  22           2HB      SER  22   3.643   3.211  11.771
  146    HB3  SER  22           1HB      SER  22   1.986   2.772  11.359
  147    HG   SER  22           HG       SER  22   2.925   3.577   9.115
  148    H    MET  23           H        MET  23   1.636   6.017  13.165
  149    HA   MET  23           HA       MET  23   4.348   6.762  14.036
  150    HB2  MET  23           2HB      MET  23   1.892   8.492  13.827
  151    HB3  MET  23           1HB      MET  23   3.162   8.867  14.983
  152    HG2  MET  23           2HG      MET  23   4.552   9.631  13.406
  153    HG3  MET  23           1HG      MET  23   4.108   8.365  12.261
  154    HE1  MET  23           3HE      MET  23   1.156   9.524  10.409
  155    HE2  MET  23           1HE      MET  23   1.744   8.206  11.426
  156    HE3  MET  23           2HE      MET  23   0.540   9.332  12.052
  157    H    SER  24           H        SER  24   3.697   7.927  16.449
  158    HA   SER  24           HA       SER  24   3.110   5.741  18.120
  159    HB2  SER  24           2HB      SER  24   2.972   8.709  18.718
  160    HB3  SER  24           1HB      SER  24   2.983   7.427  19.928
  161    HG   SER  24           HG       SER  24   5.044   6.783  18.777
  162    H    GLY  25           H        GLY  25   1.224   4.726  18.218
  163    HA2  GLY  25           1HA      GLY  25  -1.047   4.650  18.947
  164    HA3  GLY  25           2HA      GLY  25  -1.234   6.320  18.428
  165    H    SER  26           H        SER  26  -1.883   6.760  16.414
  166    HA   SER  26           HA       SER  26  -2.812   6.500  14.372
  167    HB2  SER  26           2HB      SER  26  -1.094   4.087  13.897
  168    HB3  SER  26           1HB      SER  26  -1.554   5.366  12.774
  169    HG   SER  26           HG       SER  26   0.307   5.501  14.909
  170    H    ALA  27           H        ALA  27  -4.841   5.880  15.348
  171    HA   ALA  27           HA       ALA  27  -5.585   3.082  15.236
  172    HB1  ALA  27           1HB      ALA  27  -6.898   5.606  16.031
  173    HB2  ALA  27           2HB      ALA  27  -7.957   4.363  15.364
  174    HB3  ALA  27           3HB      ALA  27  -6.962   4.010  16.778
  175    H    SER  28           H        SER  28  -5.545   5.850  13.199
  176    HA   SER  28           HA       SER  28  -6.814   4.299  11.044
  177    HB2  SER  28           2HB      SER  28  -6.409   7.046  10.320
  178    HB3  SER  28           1HB      SER  28  -7.931   6.171  10.506
  179    HG   SER  28           HG       SER  28  -6.584   7.829  12.303
  180    H    LEU  29           H        LEU  29  -5.215   3.246  10.027
  181    HA   LEU  29           HA       LEU  29  -2.570   4.357   9.827
  182    HB2  LEU  29           2HB      LEU  29  -3.871   1.782   9.251
  183    HB3  LEU  29           1HB      LEU  29  -2.562   2.196   8.164
  184    HG   LEU  29           HG       LEU  29  -1.996   0.765  10.203
  185   HD11  LEU  29          1HD1      LEU  29  -0.396   3.300   9.963
  186   HD12  LEU  29          2HD1      LEU  29   0.176   1.678  10.356
  187   HD13  LEU  29          3HD1      LEU  29  -0.389   2.044   8.725
  188   HD21  LEU  29          3HD2      LEU  29  -1.353   2.674  12.053
  189   HD22  LEU  29          1HD2      LEU  29  -2.939   3.204  11.494
  190   HD23  LEU  29          2HD2      LEU  29  -2.734   1.578  12.146
  191    H    GLY  30           H        GLY  30  -2.162   5.911   8.420
  192    HA2  GLY  30           1HA      GLY  30  -3.802   6.376   6.116
  193    HA3  GLY  30           2HA      GLY  30  -2.368   7.282   6.576
  194    H    CYS  31           H        CYS  31  -3.425   4.243   5.125
  195    HA   CYS  31           HA       CYS  31  -0.873   3.792   3.860
  196    HB2  CYS  31           2HB      CYS  31  -3.361   2.305   4.291
  197    HB3  CYS  31           1HB      CYS  31  -2.668   2.048   2.695
  198    H    VAL  32           H        VAL  32  -0.587   5.562   2.473
  199    HA   VAL  32           HA       VAL  32  -2.494   5.917   0.301
  200    HB   VAL  32           HB       VAL  32  -0.319   7.391  -0.452
  201   HG11  VAL  32          1HG1      VAL  32  -2.421   8.380  -0.509
  202   HG12  VAL  32          2HG1      VAL  32  -2.732   8.048   1.196
  203   HG13  VAL  32          3HG1      VAL  32  -1.576   9.300   0.738
  204   HG21  VAL  32          3HG2      VAL  32  -0.280   7.146   2.531
  205   HG22  VAL  32          1HG2      VAL  32   1.067   7.120   1.392
  206   HG23  VAL  32          2HG2      VAL  32   0.234   8.636   1.741
  207    H    VAL  33           H        VAL  33  -2.153   5.262  -1.801
  208    HA   VAL  33           HA       VAL  33  -0.553   2.953  -2.132
  209    HB   VAL  33           HB       VAL  33  -2.570   3.103  -3.400
  210   HG11  VAL  33          1HG1      VAL  33  -1.495   5.737  -4.235
  211   HG12  VAL  33          2HG1      VAL  33  -2.491   4.850  -5.389
  212   HG13  VAL  33          3HG1      VAL  33  -3.137   5.266  -3.801
  213   HG21  VAL  33          3HG2      VAL  33  -1.777   2.102  -5.251
  214   HG22  VAL  33          1HG2      VAL  33  -0.751   3.471  -5.681
  215   HG23  VAL  33          2HG2      VAL  33  -0.209   2.309  -4.470
  216    H    GLY  34           H        GLY  34   1.436   2.665  -2.918
  217    HA2  GLY  34           1HA      GLY  34   3.055   4.985  -3.522
  218    HA3  GLY  34           2HA      GLY  34   3.604   3.320  -3.422
  219    H    VAL  35           H        VAL  35   3.082   5.842  -5.475
  220    HA   VAL  35           HA       VAL  35   2.287   4.315  -7.789
  221    HB   VAL  35           HB       VAL  35   3.480   7.064  -7.942
  222   HG11  VAL  35          1HG1      VAL  35   1.400   7.113  -9.599
  223   HG12  VAL  35          2HG1      VAL  35   2.965   6.454 -10.076
  224   HG13  VAL  35          3HG1      VAL  35   1.667   5.370  -9.574
  225   HG21  VAL  35          3HG2      VAL  35   1.032   6.290  -6.529
  226   HG22  VAL  35          1HG2      VAL  35   1.993   7.764  -6.415
  227   HG23  VAL  35          2HG2      VAL  35   0.817   7.577  -7.717
  228    H    ILE  36           H        ILE  36   3.622   4.057  -9.671
  229    HA   ILE  36           HA       ILE  36   6.138   2.964  -9.101
  230    HB   ILE  36           HB       ILE  36   5.595   3.875 -11.880
  231   HG12  ILE  36          2HG1      ILE  36   4.037   1.618 -10.590
  232   HG13  ILE  36          1HG1      ILE  36   3.363   3.200 -10.970
  233   HG21  ILE  36          1HG2      ILE  36   6.342   1.522 -12.333
  234   HG22  ILE  36          2HG2      ILE  36   7.532   2.551 -11.534
  235   HG23  ILE  36          3HG2      ILE  36   6.630   1.360 -10.600
  236   HD11  ILE  36          3HD1      ILE  36   4.541   2.283 -13.335
  237   HD12  ILE  36          1HD1      ILE  36   3.675   0.907 -12.649
  238   HD13  ILE  36          2HD1      ILE  36   2.823   2.421 -12.965
  239    H    GLY  37           H        GLY  37   7.938   3.999  -8.582
  240    HA2  GLY  37           1HA      GLY  37   9.802   5.318  -9.205
  241    HA3  GLY  37           2HA      GLY  37   8.748   6.291 -10.220
  242    H    SER  38           H        SER  38   7.108   5.902  -7.419
  243    HA   SER  38           HA       SER  38   7.848   8.552  -6.497
  244    HB2  SER  38           2HB      SER  38   5.750   6.659  -5.406
  245    HB3  SER  38           1HB      SER  38   5.895   8.381  -5.057
  246    HG   SER  38           HG       SER  38   5.761   7.750  -7.734
  247    H    GLN  39           H        GLN  39   8.122   8.903  -4.115
  248    HA   GLN  39           HA       GLN  39   9.858   6.783  -3.026
  249    HB2  GLN  39           2HB      GLN  39  10.245   9.586  -3.351
  250    HB3  GLN  39           1HB      GLN  39  10.181   9.247  -1.627
  251    HG2  GLN  39           2HG      GLN  39  12.152   8.198  -1.629
  252    HG3  GLN  39           1HG      GLN  39  11.827   7.379  -3.158
  253   HE21  GLN  39          1HE2      GLN  39  12.819  10.431  -1.725
  254   HE22  GLN  39          2HE2      GLN  39  13.723  10.990  -3.095
  255    H    CYS  40           H        CYS  40   9.503   6.001  -1.006
  256    HA   CYS  40           HA       CYS  40   6.944   6.691   0.188
  257    HB2  CYS  40           2HB      CYS  40   8.374   4.299  -0.061
  258    HB3  CYS  40           1HB      CYS  40   8.441   4.696   1.654
  259    H    GLY  41           H        GLY  41   7.007   8.451   1.414
  260    HA2  GLY  41           1HA      GLY  41   9.229   9.133   3.082
  261    HA3  GLY  41           2HA      GLY  41   7.644   9.896   3.092
  262    H    ALA  42           H        ALA  42   6.550   7.024   3.417
  263    HA   ALA  42           HA       ALA  42   7.047   6.837   6.312
  264    HB1  ALA  42           1HB      ALA  42   4.848   6.662   6.681
  265    HB2  ALA  42           2HB      ALA  42   4.635   7.232   5.026
  266    HB3  ALA  42           3HB      ALA  42   4.639   5.502   5.369
  267    H    SER  43           H        SER  43   5.855   4.345   6.697
  268    HA   SER  43           HA       SER  43   7.913   2.617   5.628
  269    HB2  SER  43           2HB      SER  43   5.779   1.410   7.260
  270    HB3  SER  43           1HB      SER  43   7.531   1.343   7.460
  271    HG   SER  43           HG       SER  43   7.489   3.113   8.668
  272    H    VAL  44           H        VAL  44   7.659   1.257   3.957
  273    HA   VAL  44           HA       VAL  44   5.157   1.224   2.530
  274    HB   VAL  44           HB       VAL  44   7.277  -0.711   1.777
  275   HG11  VAL  44          1HG1      VAL  44   6.670   0.657  -0.447
  276   HG12  VAL  44          2HG1      VAL  44   5.711  -0.698   0.148
  277   HG13  VAL  44          3HG1      VAL  44   5.206   0.957   0.489
  278   HG21  VAL  44          3HG2      VAL  44   8.618   1.055   0.676
  279   HG22  VAL  44          1HG2      VAL  44   7.655   2.272   1.516
  280   HG23  VAL  44          2HG2      VAL  44   8.663   1.155   2.437
  281    H    LYS  45           H        LYS  45   3.551  -0.076   2.995
  282    HA   LYS  45           HA       LYS  45   4.138  -2.641   4.316
  283    HB2  LYS  45           2HB      LYS  45   1.639  -0.938   4.406
  284    HB3  LYS  45           1HB      LYS  45   1.801  -2.517   5.161
  285    HG2  LYS  45           2HG      LYS  45   3.612  -0.218   5.829
  286    HG3  LYS  45           1HG      LYS  45   2.084  -0.507   6.665
  287    HD2  LYS  45           2HD      LYS  45   3.010  -2.088   7.926
  288    HD3  LYS  45           1HD      LYS  45   3.612  -2.936   6.498
  289    HE2  LYS  45           2HE      LYS  45   5.117  -0.519   7.087
  290    HE3  LYS  45           1HE      LYS  45   5.140  -1.671   8.423
  291    HZ1  LYS  45           3HZ      LYS  45   6.413  -1.818   5.850
  292    HZ2  LYS  45           1HZ      LYS  45   5.583  -3.240   6.263
  293    HZ3  LYS  45           2HZ      LYS  45   6.783  -2.629   7.292
  294    H    CYS  46           H        CYS  46   3.150  -4.492   3.605
  295    HA   CYS  46           HA       CYS  46   2.174  -4.391   0.846
  296    HB2  CYS  46           2HB      CYS  46   3.262  -6.579   2.599
  297    HB3  CYS  46           1HB      CYS  46   2.371  -6.961   1.133
  298    H    CYS  47           H        CYS  47   0.145  -3.485   1.460
  299    HA   CYS  47           HA       CYS  47  -1.626  -5.320   2.918
  300    HB2  CYS  47           2HB      CYS  47  -1.229  -2.462   3.035
  301    HB3  CYS  47           1HB      CYS  47  -2.906  -2.835   2.640
  302    H    LYS  48           H        LYS  48  -3.856  -5.448   2.170
  303    HA   LYS  48           HA       LYS  48  -3.950  -5.592  -0.730
  304    HB2  LYS  48           2HB      LYS  48  -6.089  -6.768  -0.379
  305    HB3  LYS  48           1HB      LYS  48  -4.780  -7.501   0.537
  306    HG2  LYS  48           2HG      LYS  48  -5.562  -6.411   2.564
  307    HG3  LYS  48           1HG      LYS  48  -6.857  -5.628   1.656
  308    HD2  LYS  48           2HD      LYS  48  -7.173  -8.277   1.000
  309    HD3  LYS  48           1HD      LYS  48  -6.673  -8.352   2.691
  310    HE2  LYS  48           2HE      LYS  48  -8.680  -6.296   2.118
  311    HE3  LYS  48           1HE      LYS  48  -9.227  -7.944   1.811
  312    HZ1  LYS  48           3HZ      LYS  48  -8.506  -6.658   4.342
  313    HZ2  LYS  48           1HZ      LYS  48  -8.135  -8.307   4.172
  314    HZ3  LYS  48           2HZ      LYS  48  -9.734  -7.780   4.002
  315    H    ASP  49           H        ASP  49  -6.665  -5.205  -1.180
  316    HA   ASP  49           HA       ASP  49  -6.813  -2.381  -1.402
  317    HB2  ASP  49           2HB      ASP  49  -8.537  -4.689  -2.105
  318    HB3  ASP  49           1HB      ASP  49  -9.357  -3.146  -1.893
  319    H    ASP  50           H        ASP  50  -8.979  -4.628   0.293
  320    HA   ASP  50           HA       ASP  50 -10.242  -4.456   2.170
  321    HB2  ASP  50           2HB      ASP  50  -7.657  -3.550   2.853
  322    HB3  ASP  50           1HB      ASP  50  -8.785  -2.438   3.622
  323    H    VAL  51           H        VAL  51 -11.198  -2.986   0.130
  324    HA   VAL  51           HA       VAL  51 -11.596  -0.242   0.962
  325    HB   VAL  51           HB       VAL  51 -13.177  -1.363  -1.291
  326   HG11  VAL  51          1HG1      VAL  51 -13.483   0.913  -1.044
  327   HG12  VAL  51          2HG1      VAL  51 -11.795   1.202  -0.621
  328   HG13  VAL  51          3HG1      VAL  51 -12.235   0.836  -2.289
  329   HG21  VAL  51          3HG2      VAL  51 -11.472  -2.162  -2.460
  330   HG22  VAL  51          1HG2      VAL  51 -10.654  -0.604  -2.347
  331   HG23  VAL  51          2HG2      VAL  51 -10.382  -1.834  -1.113
  332    H    THR  52           H        THR  52 -12.960   0.034   2.622
  333    HA   THR  52           HA       THR  52 -15.468  -1.381   2.828
  334    HB   THR  52           HB       THR  52 -15.757   0.709   4.513
  335    HG1  THR  52           1HG      THR  52 -13.434   0.871   5.366
  336   HG21  THR  52          3HG2      THR  52 -14.890  -2.010   4.701
  337   HG22  THR  52          1HG2      THR  52 -15.750  -1.040   5.896
  338   HG23  THR  52          2HG2      THR  52 -13.987  -1.037   5.862
  339    H    ASN  53           H        ASN  53 -14.584   2.038   2.517
  340    HA   ASN  53           HA       ASN  53 -16.776   2.387   0.583
  341    HB2  ASN  53           2HB      ASN  53 -17.002   3.562   2.893
  342    HB3  ASN  53           1HB      ASN  53 -15.738   4.636   2.299
  343   HD21  ASN  53          1HD2      ASN  53 -16.497   6.450   1.464
  344   HD22  ASN  53          2HD2      ASN  53 -18.002   6.635   0.629
  345    H    THR  54           H        THR  54 -16.316   4.255  -0.933
  346    HA   THR  54           HA       THR  54 -13.814   3.836  -2.168
  347    HB   THR  54           HB       THR  54 -15.016   6.259  -3.091
  348    HG1  THR  54           1HG      THR  54 -17.069   5.879  -2.754
  349   HG21  THR  54          3HG2      THR  54 -15.584   4.646  -5.039
  350   HG22  THR  54          1HG2      THR  54 -14.667   3.458  -4.111
  351   HG23  THR  54          2HG2      THR  54 -13.887   4.943  -4.656
  352    H    GLY  55           H        GLY  55 -12.150   4.384  -0.799
  353    HA2  GLY  55           1HA      GLY  55 -11.572   7.237  -0.654
  354    HA3  GLY  55           2HA      GLY  55 -11.639   6.370   0.875
  355    H    ASN  56           H        ASN  56 -10.154   6.124  -2.343
  356    HA   ASN  56           HA       ASN  56  -8.077   4.395  -1.357
  357    HB2  ASN  56           2HB      ASN  56  -8.812   5.524  -4.028
  358    HB3  ASN  56           1HB      ASN  56  -7.185   4.895  -3.793
  359   HD21  ASN  56          1HD2      ASN  56  -6.948   2.853  -4.346
  360   HD22  ASN  56          2HD2      ASN  56  -8.167   1.627  -4.292
  361    H    SER  57           H        SER  57  -8.527   7.772  -1.715
  362    HA   SER  57           HA       SER  57  -5.727   8.459  -1.754
  363    HB2  SER  57           2HB      SER  57  -7.904  10.353  -0.922
  364    HB3  SER  57           1HB      SER  57  -6.431  10.685  -1.835
  365    HG   SER  57           HG       SER  57  -7.356   9.490  -3.580
  366    H    GLY  58           H        GLY  58  -5.562   6.837   0.139
  367    HA2  GLY  58           1HA      GLY  58  -4.554   7.171   2.348
  368    HA3  GLY  58           2HA      GLY  58  -5.851   8.314   2.682
  369    H    LEU  59           H        LEU  59  -5.407   4.940   1.675
  370    HA   LEU  59           HA       LEU  59  -8.007   4.185   2.615
  371    HB2  LEU  59           2HB      LEU  59  -5.869   2.996   1.062
  372    HB3  LEU  59           1HB      LEU  59  -6.500   1.862   2.239
  373    HG   LEU  59           HG       LEU  59  -8.329   3.361   0.385
  374   HD11  LEU  59          1HD1      LEU  59  -8.130   0.874  -0.703
  375   HD12  LEU  59          2HD1      LEU  59  -7.320   2.316  -1.313
  376   HD13  LEU  59          3HD1      LEU  59  -6.458   1.205  -0.251
  377   HD21  LEU  59          3HD2      LEU  59  -8.696   0.628   1.572
  378   HD22  LEU  59          1HD2      LEU  59  -9.102   2.088   2.475
  379   HD23  LEU  59          2HD2      LEU  59  -9.914   1.743   0.948
  380    H    ILE  60           H        ILE  60  -8.557   3.338   4.537
  381    HA   ILE  60           HA       ILE  60  -6.572   3.311   6.634
  382    HB   ILE  60           HB       ILE  60  -9.425   2.452   7.006
  383   HG12  ILE  60          2HG1      ILE  60  -8.917   5.277   7.542
  384   HG13  ILE  60          1HG1      ILE  60  -8.746   4.878   5.836
  385   HG21  ILE  60          1HG2      ILE  60  -8.515   4.095   9.079
  386   HG22  ILE  60          2HG2      ILE  60  -8.729   2.344   9.113
  387   HG23  ILE  60          3HG2      ILE  60  -7.165   3.034   8.678
  388   HD11  ILE  60          3HD1      ILE  60 -10.941   5.131   5.704
  389   HD12  ILE  60          1HD1      ILE  60 -11.074   3.601   6.571
  390   HD13  ILE  60          2HD1      ILE  60 -11.128   5.125   7.458
  391    H    ILE  61           H        ILE  61  -5.341   1.552   5.731
  392    HA   ILE  61           HA       ILE  61  -6.525  -1.085   6.307
  393    HB   ILE  61           HB       ILE  61  -3.972  -1.107   4.865
  394   HG12  ILE  61          2HG1      ILE  61  -6.401  -0.153   3.342
  395   HG13  ILE  61          1HG1      ILE  61  -5.143   0.941   3.909
  396   HG21  ILE  61          1HG2      ILE  61  -4.810  -3.157   4.619
  397   HG22  ILE  61          2HG2      ILE  61  -6.429  -2.632   5.076
  398   HG23  ILE  61          3HG2      ILE  61  -5.887  -2.469   3.405
  399   HD11  ILE  61          3HD1      ILE  61  -3.553   0.036   2.465
  400   HD12  ILE  61          1HD1      ILE  61  -4.515  -1.414   2.174
  401   HD13  ILE  61          2HD1      ILE  61  -5.027   0.134   1.503
  402    H    ASN  62           H        ASN  62  -3.850  -2.318   6.287
  403    HA   ASN  62           HA       ASN  62  -2.358  -3.049   7.823
  404    HB2  ASN  62           2HB      ASN  62  -1.486  -0.735   7.045
  405    HB3  ASN  62           1HB      ASN  62  -1.951  -0.197   8.655
  406   HD21  ASN  62          1HD2      ASN  62   0.531   0.149   8.265
  407   HD22  ASN  62          2HD2      ASN  62   1.525  -1.079   8.953
  408    H    ALA  63           H        ALA  63  -5.160  -2.618   8.749
  409    HA   ALA  63           HA       ALA  63  -4.604  -2.310  11.614
  410    HB1  ALA  63           1HB      ALA  63  -6.450  -0.973  10.240
  411    HB2  ALA  63           2HB      ALA  63  -7.401  -2.407  10.627
  412    HB3  ALA  63           3HB      ALA  63  -6.690  -1.446  11.924
  413    H    ALA  64           H        ALA  64  -4.968  -4.592   9.279
  414    HA   ALA  64           HA       ALA  64  -5.294  -6.723  11.147
  415    HB1  ALA  64           1HB      ALA  64  -7.421  -6.882   9.107
  416    HB2  ALA  64           2HB      ALA  64  -7.412  -7.421  10.786
  417    HB3  ALA  64           3HB      ALA  64  -7.674  -5.718  10.408
  418    H    ASN  65           H        ASN  65  -5.712  -5.940   7.673
  419    HA   ASN  65           HA       ASN  65  -4.568  -8.560   7.041
  420    HB2  ASN  65           2HB      ASN  65  -6.780  -7.418   6.069
  421    HB3  ASN  65           1HB      ASN  65  -5.622  -6.808   4.892
  422   HD21  ASN  65          1HD2      ASN  65  -3.925  -8.835   4.499
  423   HD22  ASN  65          2HD2      ASN  65  -4.750 -10.229   3.891
  424    H    CYS  66           H        CYS  66  -2.660  -6.674   7.905
  425    HA   CYS  66           HA       CYS  66  -1.183  -6.305   5.378
  426    HB2  CYS  66           2HB      CYS  66  -1.449  -4.599   7.670
  427    HB3  CYS  66           1HB      CYS  66   0.238  -5.075   7.495
  428    H    VAL  67           H        VAL  67   0.362  -7.712   4.964
  429    HA   VAL  67           HA       VAL  67   1.062  -9.634   7.039
  430    HB   VAL  67           HB       VAL  67   2.306 -10.733   5.047
  431   HG11  VAL  67          1HG1      VAL  67   0.283 -11.878   4.387
  432   HG12  VAL  67          2HG1      VAL  67   0.239 -11.555   6.121
  433   HG13  VAL  67          3HG1      VAL  67  -0.703 -10.557   5.013
  434   HG21  VAL  67          3HG2      VAL  67   1.022 -10.150   2.887
  435   HG22  VAL  67          1HG2      VAL  67   0.678  -8.618   3.689
  436   HG23  VAL  67          2HG2      VAL  67   2.349  -9.102   3.391
  437    H    ALA  68           H        ALA  68   2.496  -7.002   5.307
  438    HA   ALA  68           HA       ALA  68   4.872  -7.127   6.909
  439    HB1  ALA  68           1HB      ALA  68   4.890  -8.067   4.099
  440    HB2  ALA  68           2HB      ALA  68   6.220  -7.027   4.604
  441    HB3  ALA  68           3HB      ALA  68   5.913  -8.539   5.456
  Start of MODEL   16
    1    H1   SER   1           1H       SER   1  15.774   6.558   4.487
    2    H2   SER   1           2H       SER   1  16.851   7.764   4.990
    3    H3   SER   1           3H       SER   1  17.438   6.244   4.524
    4    HA   SER   1           HA       SER   1  17.266   8.433   2.942
    5    HB2  SER   1           2HB      SER   1  17.174   5.925   1.454
    6    HB3  SER   1           1HB      SER   1  18.500   7.077   1.628
    7    HG   SER   1           HG       SER   1  17.993   4.732   3.003
    8    H    ALA   2           H        ALA   2  16.201   8.613   0.782
    9    HA   ALA   2           HA       ALA   2  13.343   8.338   1.059
   10    HB1  ALA   2           1HB      ALA   2  13.248   9.970  -0.471
   11    HB2  ALA   2           2HB      ALA   2  14.999  10.080  -0.288
   12    HB3  ALA   2           3HB      ALA   2  14.309   9.100  -1.579
   13    H    THR   3           H        THR   3  12.926   6.162   1.079
   14    HA   THR   3           HA       THR   3  14.034   4.251  -0.666
   15    HB   THR   3           HB       THR   3  11.412   3.472   0.247
   16    HG1  THR   3           1HG      THR   3  11.468   4.969   1.858
   17   HG21  THR   3          3HG2      THR   3  12.870   1.947   1.688
   18   HG22  THR   3          1HG2      THR   3  14.251   2.714   0.902
   19   HG23  THR   3          2HG2      THR   3  13.073   1.823  -0.060
   20    H    THR   4           H        THR   4  13.707   4.078  -2.781
   21    HA   THR   4           HA       THR   4  11.443   5.268  -4.090
   22    HB   THR   4           HB       THR   4  12.953   3.472  -5.777
   23    HG1  THR   4           1HG      THR   4  14.738   5.402  -5.060
   24   HG21  THR   4          3HG2      THR   4  13.571   5.812  -6.759
   25   HG22  THR   4          1HG2      THR   4  12.364   6.402  -5.616
   26   HG23  THR   4          2HG2      THR   4  11.908   5.236  -6.858
   27    H    ILE   5           H        ILE   5   9.600   4.316  -4.649
   28    HA   ILE   5           HA       ILE   5   9.222   1.537  -3.871
   29    HB   ILE   5           HB       ILE   5   7.313   3.784  -4.485
   30   HG12  ILE   5          2HG1      ILE   5   7.685   2.014  -2.058
   31   HG13  ILE   5          1HG1      ILE   5   8.335   3.642  -2.234
   32   HG21  ILE   5          1HG2      ILE   5   5.548   1.993  -3.816
   33   HG22  ILE   5          2HG2      ILE   5   6.122   2.072  -5.482
   34   HG23  ILE   5          3HG2      ILE   5   6.761   0.845  -4.385
   35   HD11  ILE   5          3HD1      ILE   5   6.475   4.353  -1.263
   36   HD12  ILE   5          1HD1      ILE   5   5.636   3.938  -2.759
   37   HD13  ILE   5          2HD1      ILE   5   5.697   2.779  -1.430
   38    H    GLY   6           H        GLY   6   8.981  -0.092  -5.232
   39    HA2  GLY   6           1HA      GLY   6   8.259   0.489  -8.036
   40    HA3  GLY   6           2HA      GLY   6   9.165  -0.930  -7.515
   41    HA   PRO   7           HA       PRO   7   4.198  -0.968  -7.090
   42    HB2  PRO   7           2HB      PRO   7   3.649  -2.029  -9.615
   43    HB3  PRO   7           1HB      PRO   7   3.387  -0.357  -9.113
   44    HG2  PRO   7           2HG      PRO   7   5.686  -1.553 -10.600
   45    HG3  PRO   7           1HG      PRO   7   4.878   0.010 -10.845
   46    HD2  PRO   7           2HD      PRO   7   7.226  -0.095  -9.611
   47    HD3  PRO   7           1HD      PRO   7   5.944   0.986  -9.012
   48    H    ASN   8           H        ASN   8   6.406  -3.205  -8.767
   49    HA   ASN   8           HA       ASN   8   4.716  -5.462  -8.076
   50    HB2  ASN   8           2HB      ASN   8   6.312  -4.997 -10.224
   51    HB3  ASN   8           1HB      ASN   8   7.358  -6.023  -9.248
   52   HD21  ASN   8          1HD2      ASN   8   5.568  -6.271 -11.774
   53   HD22  ASN   8          2HD2      ASN   8   4.770  -7.787 -11.526
   54    H    THR   9           H        THR   9   5.892  -4.036  -5.884
   55    HA   THR   9           HA       THR   9   7.915  -5.764  -4.763
   56    HB   THR   9           HB       THR   9   6.911  -4.446  -2.611
   57    HG1  THR   9           1HG      THR   9   6.646  -2.509  -4.655
   58   HG21  THR   9          3HG2      THR   9   8.648  -2.829  -4.409
   59   HG22  THR   9          1HG2      THR   9   9.238  -4.410  -3.898
   60   HG23  THR   9          2HG2      THR   9   8.827  -3.190  -2.692
   61    H    CYS  10           H        CYS  10   4.530  -5.016  -4.106
   62    HA   CYS  10           HA       CYS  10   4.064  -7.817  -3.387
   63    HB2  CYS  10           2HB      CYS  10   3.480  -5.382  -1.737
   64    HB3  CYS  10           1HB      CYS  10   2.367  -6.743  -1.665
   65    H    SER  11           H        SER  11   2.599  -8.546  -4.771
   66    HA   SER  11           HA       SER  11   0.157  -7.143  -5.313
   67    HB2  SER  11           2HB      SER  11   2.282  -7.383  -7.451
   68    HB3  SER  11           1HB      SER  11   0.572  -7.238  -7.854
   69    HG   SER  11           HG       SER  11   1.489  -5.388  -6.021
   70    H    ILE  12           H        ILE  12   1.349  -9.703  -4.340
   71    HA   ILE  12           HA       ILE  12   0.704 -11.701  -6.304
   72    HB   ILE  12           HB       ILE  12   0.926 -12.582  -3.515
   73   HG12  ILE  12          2HG1      ILE  12   3.607 -12.077  -4.162
   74   HG13  ILE  12          1HG1      ILE  12   2.762 -10.568  -4.490
   75   HG21  ILE  12          1HG2      ILE  12   1.469 -14.408  -4.655
   76   HG22  ILE  12          2HG2      ILE  12   1.553 -13.485  -6.156
   77   HG23  ILE  12          3HG2      ILE  12   2.978 -13.626  -5.126
   78   HD11  ILE  12          3HD1      ILE  12   2.105 -11.872  -1.934
   79   HD12  ILE  12          1HD1      ILE  12   3.746 -11.244  -2.089
   80   HD13  ILE  12          2HD1      ILE  12   2.366 -10.170  -2.313
   81    H    ASP  13           H        ASP  13  -0.347 -11.748  -2.959
   82    HA   ASP  13           HA       ASP  13  -2.926 -12.801  -3.658
   83    HB2  ASP  13           2HB      ASP  13  -1.422 -13.354  -1.630
   84    HB3  ASP  13           1HB      ASP  13  -2.056 -11.871  -0.932
   85    H    ASP  14           H        ASP  14  -3.160 -10.657  -4.959
   86    HA   ASP  14           HA       ASP  14  -3.965  -8.555  -5.281
   87    HB2  ASP  14           2HB      ASP  14  -5.967 -10.018  -4.347
   88    HB3  ASP  14           1HB      ASP  14  -5.858  -8.895  -2.993
   89    H    TYR  15           H        TYR  15  -1.702  -8.441  -3.845
   90    HA   TYR  15           HA       TYR  15  -2.180  -6.670  -1.569
   91    HB2  TYR  15           2HB      TYR  15   0.211  -8.230  -2.518
   92    HB3  TYR  15           1HB      TYR  15   0.405  -6.906  -1.387
   93    HD1  TYR  15           2HD      TYR  15  -1.520  -7.054   0.573
   94    HD2  TYR  15           1HD      TYR  15   0.207 -10.310  -1.542
   95    HE1  TYR  15           2HE      TYR  15  -2.104  -8.554   2.428
   96    HE2  TYR  15           1HE      TYR  15  -0.371 -11.823   0.305
   97    HH   TYR  15           HH       TYR  15  -0.908 -11.777   2.633
   98    H    LYS  16           H        LYS  16  -1.224  -4.624  -1.444
   99    HA   LYS  16           HA       LYS  16   0.061  -3.616  -3.890
  100    HB2  LYS  16           2HB      LYS  16  -1.949  -2.093  -2.213
  101    HB3  LYS  16           1HB      LYS  16  -1.080  -1.460  -3.601
  102    HG2  LYS  16           2HG      LYS  16  -2.231  -3.458  -4.845
  103    HG3  LYS  16           1HG      LYS  16  -3.366  -3.361  -3.497
  104    HD2  LYS  16           2HD      LYS  16  -3.232  -0.766  -4.116
  105    HD3  LYS  16           1HD      LYS  16  -2.851  -1.443  -5.700
  106    HE2  LYS  16           2HE      LYS  16  -5.014  -1.800  -6.041
  107    HE3  LYS  16           1HE      LYS  16  -5.021  -2.920  -4.680
  108    HZ1  LYS  16           3HZ      LYS  16  -6.463  -1.504  -3.776
  109    HZ2  LYS  16           1HZ      LYS  16  -6.083  -0.260  -4.865
  110    HZ3  LYS  16           2HZ      LYS  16  -5.133  -0.494  -3.478
  111    HA   PRO  17           HA       PRO  17   3.026  -2.138  -0.885
  112    HB2  PRO  17           2HB      PRO  17   4.304  -0.317  -2.448
  113    HB3  PRO  17           1HB      PRO  17   4.583  -2.055  -2.587
  114    HG2  PRO  17           2HG      PRO  17   2.890  -0.266  -4.273
  115    HG3  PRO  17           1HG      PRO  17   3.941  -1.601  -4.767
  116    HD2  PRO  17           2HD      PRO  17   1.235  -1.828  -4.554
  117    HD3  PRO  17           1HD      PRO  17   2.347  -3.188  -4.306
  118    H    TYR  18           H        TYR  18   1.960  -1.002   0.650
  119    HA   TYR  18           HA       TYR  18   0.700   1.530  -0.138
  120    HB2  TYR  18           2HB      TYR  18   0.134  -0.507   1.968
  121    HB3  TYR  18           1HB      TYR  18  -0.378   1.158   2.226
  122    HD1  TYR  18           1HD      TYR  18  -1.658   2.231   0.170
  123    HD2  TYR  18           2HD      TYR  18  -1.324  -1.940   0.924
  124    HE1  TYR  18           1HE      TYR  18  -3.659   1.832  -1.201
  125    HE2  TYR  18           2HE      TYR  18  -3.317  -2.355  -0.445
  126    HH   TYR  18           HH       TYR  18  -5.365  -1.045  -1.166
  127    H    CYS  19           H        CYS  19   1.570   3.368   0.471
  128    HA   CYS  19           HA       CYS  19   3.594   3.395   2.568
  129    HB2  CYS  19           2HB      CYS  19   3.480   4.753   0.233
  130    HB3  CYS  19           1HB      CYS  19   2.739   5.936   1.305
  131    H    CYS  20           H        CYS  20   2.509   3.104   4.437
  132    HA   CYS  20           HA       CYS  20   0.133   4.636   5.052
  133    HB2  CYS  20           2HB      CYS  20   1.679   2.808   6.893
  134    HB3  CYS  20           1HB      CYS  20  -0.004   3.305   7.032
  135    H    GLN  21           H        GLN  21   0.131   6.546   6.031
  136    HA   GLN  21           HA       GLN  21   2.415   7.944   6.805
  137    HB2  GLN  21           2HB      GLN  21  -0.509   8.272   7.218
  138    HB3  GLN  21           1HB      GLN  21   0.555   9.196   8.268
  139    HG2  GLN  21           2HG      GLN  21   1.172   9.276   5.389
  140    HG3  GLN  21           1HG      GLN  21  -0.311  10.083   5.903
  141   HE21  GLN  21          1HE2      GLN  21   2.874  10.520   5.339
  142   HE22  GLN  21          2HE2      GLN  21   3.173  11.895   6.353
  143    H    SER  22           H        SER  22   3.789   7.302   8.316
  144    HA   SER  22           HA       SER  22   3.002   5.635  10.502
  145    HB2  SER  22           2HB      SER  22   5.676   6.869  10.578
  146    HB3  SER  22           1HB      SER  22   5.213   5.167  10.658
  147    HG   SER  22           HG       SER  22   5.133   5.062   8.476
  148    H    MET  23           H        MET  23   1.920   6.487  12.155
  149    HA   MET  23           HA       MET  23   2.862   9.018  13.307
  150    HB2  MET  23           2HB      MET  23   0.276   7.694  13.130
  151    HB3  MET  23           1HB      MET  23   0.660   8.157  14.782
  152    HG2  MET  23           2HG      MET  23   0.338  10.318  14.371
  153    HG3  MET  23           1HG      MET  23   1.235  10.257  12.855
  154    HE1  MET  23           3HE      MET  23  -0.164  10.846  10.553
  155    HE2  MET  23           1HE      MET  23   0.351   9.175  10.768
  156    HE3  MET  23           2HE      MET  23  -1.271   9.527  10.175
  157    H    SER  24           H        SER  24   3.736   6.000  13.455
  158    HA   SER  24           HA       SER  24   4.719   4.587  14.912
  159    HB2  SER  24           2HB      SER  24   5.050   6.896  16.818
  160    HB3  SER  24           1HB      SER  24   6.121   5.520  16.555
  161    HG   SER  24           HG       SER  24   6.718   6.371  14.580
  162    H    GLY  25           H        GLY  25   2.592   3.622  15.159
  163    HA2  GLY  25           1HA      GLY  25   1.693   2.482  17.213
  164    HA3  GLY  25           2HA      GLY  25   1.426   4.106  17.830
  165    H    SER  26           H        SER  26   0.925   3.898  14.512
  166    HA   SER  26           HA       SER  26  -1.888   4.333  14.800
  167    HB2  SER  26           2HB      SER  26  -1.156   3.826  12.080
  168    HB3  SER  26           1HB      SER  26  -1.561   5.369  12.834
  169    HG   SER  26           HG       SER  26   0.998   4.132  12.689
  170    H    ALA  27           H        ALA  27  -3.432   2.829  14.828
  171    HA   ALA  27           HA       ALA  27  -2.804   0.075  14.107
  172    HB1  ALA  27           1HB      ALA  27  -4.118  -0.152  15.926
  173    HB2  ALA  27           2HB      ALA  27  -4.877   1.423  15.699
  174    HB3  ALA  27           3HB      ALA  27  -5.436   0.034  14.769
  175    H    SER  28           H        SER  28  -5.207   2.547  13.290
  176    HA   SER  28           HA       SER  28  -5.579   1.318  10.660
  177    HB2  SER  28           2HB      SER  28  -7.018   3.806  11.489
  178    HB3  SER  28           1HB      SER  28  -7.595   2.446  10.528
  179    HG   SER  28           HG       SER  28  -7.652   1.209  12.460
  180    H    LEU  29           H        LEU  29  -3.934   1.871   9.355
  181    HA   LEU  29           HA       LEU  29  -2.700   4.503   9.685
  182    HB2  LEU  29           2HB      LEU  29  -1.444   2.747   7.745
  183    HB3  LEU  29           1HB      LEU  29  -0.759   3.541   9.149
  184    HG   LEU  29           HG       LEU  29  -2.283   1.463  10.216
  185   HD11  LEU  29          1HD1      LEU  29  -2.571   0.042   8.507
  186   HD12  LEU  29          2HD1      LEU  29  -1.300   0.784   7.536
  187   HD13  LEU  29          3HD1      LEU  29  -0.881  -0.368   8.806
  188   HD21  LEU  29          3HD2      LEU  29  -0.269   2.008  11.238
  189   HD22  LEU  29          1HD2      LEU  29   0.066   0.439  10.505
  190   HD23  LEU  29          2HD2      LEU  29   0.637   1.917   9.727
  191    H    GLY  30           H        GLY  30  -2.521   5.987   8.074
  192    HA2  GLY  30           1HA      GLY  30  -4.342   5.747   5.836
  193    HA3  GLY  30           2HA      GLY  30  -3.377   7.158   6.257
  194    H    CYS  31           H        CYS  31  -3.472   4.166   4.524
  195    HA   CYS  31           HA       CYS  31  -0.729   4.475   3.581
  196    HB2  CYS  31           2HB      CYS  31  -2.617   2.237   2.894
  197    HB3  CYS  31           1HB      CYS  31  -0.858   2.232   2.862
  198    H    VAL  32           H        VAL  32  -0.293   5.405   1.703
  199    HA   VAL  32           HA       VAL  32  -2.391   5.515  -0.359
  200    HB   VAL  32           HB       VAL  32   0.091   6.948  -0.965
  201   HG11  VAL  32          1HG1      VAL  32  -2.290   8.556  -0.742
  202   HG12  VAL  32          2HG1      VAL  32  -1.336   8.153  -2.171
  203   HG13  VAL  32          3HG1      VAL  32  -2.614   7.066  -1.627
  204   HG21  VAL  32          3HG2      VAL  32   0.401   7.588   1.213
  205   HG22  VAL  32          1HG2      VAL  32  -0.716   8.842   0.677
  206   HG23  VAL  32          2HG2      VAL  32  -1.313   7.469   1.611
  207    H    VAL  33           H        VAL  33  -1.987   4.685  -2.431
  208    HA   VAL  33           HA       VAL  33  -0.354   2.407  -2.572
  209    HB   VAL  33           HB       VAL  33  -2.254   2.552  -4.032
  210   HG11  VAL  33          1HG1      VAL  33  -2.257   4.145  -5.969
  211   HG12  VAL  33          2HG1      VAL  33  -2.472   4.894  -4.386
  212   HG13  VAL  33          3HG1      VAL  33  -0.909   4.981  -5.198
  213   HG21  VAL  33          3HG2      VAL  33   0.419   2.101  -5.065
  214   HG22  VAL  33          1HG2      VAL  33  -1.060   1.174  -5.319
  215   HG23  VAL  33          2HG2      VAL  33  -0.710   2.572  -6.336
  216    H    GLY  34           H        GLY  34   1.714   2.107  -3.010
  217    HA2  GLY  34           1HA      GLY  34   3.498   4.264  -3.475
  218    HA3  GLY  34           2HA      GLY  34   3.896   2.552  -3.533
  219    H    VAL  35           H        VAL  35   3.501   5.348  -5.323
  220    HA   VAL  35           HA       VAL  35   2.817   4.103  -7.824
  221    HB   VAL  35           HB       VAL  35   4.093   6.796  -7.779
  222   HG11  VAL  35          1HG1      VAL  35   1.836   5.450  -9.231
  223   HG12  VAL  35          2HG1      VAL  35   2.066   7.196  -9.303
  224   HG13  VAL  35          3HG1      VAL  35   3.330   6.114  -9.891
  225   HG21  VAL  35          3HG2      VAL  35   1.215   6.696  -7.053
  226   HG22  VAL  35          1HG2      VAL  35   2.391   6.401  -5.773
  227   HG23  VAL  35          2HG2      VAL  35   2.435   7.913  -6.679
  228    H    ILE  36           H        ILE  36   4.273   4.288  -9.714
  229    HA   ILE  36           HA       ILE  36   6.664   2.892  -9.148
  230    HB   ILE  36           HB       ILE  36   6.164   4.192 -11.802
  231   HG12  ILE  36          2HG1      ILE  36   4.945   1.690 -11.934
  232   HG13  ILE  36          1HG1      ILE  36   4.360   2.375 -10.422
  233   HG21  ILE  36          1HG2      ILE  36   7.089   1.396 -11.253
  234   HG22  ILE  36          2HG2      ILE  36   7.349   2.386 -12.689
  235   HG23  ILE  36          3HG2      ILE  36   8.202   2.761 -11.192
  236   HD11  ILE  36          3HD1      ILE  36   3.943   4.484 -11.942
  237   HD12  ILE  36          1HD1      ILE  36   3.908   3.264 -13.214
  238   HD13  ILE  36          2HD1      ILE  36   2.781   3.158 -11.862
  239    H    GLY  37           H        GLY  37   8.474   3.747  -8.409
  240    HA2  GLY  37           1HA      GLY  37  10.409   5.018  -8.514
  241    HA3  GLY  37           2HA      GLY  37   9.687   5.959  -9.812
  242    H    SER  38           H        SER  38   7.878   5.544  -6.903
  243    HA   SER  38           HA       SER  38   8.263   8.372  -6.289
  244    HB2  SER  38           2HB      SER  38   6.281   6.365  -5.191
  245    HB3  SER  38           1HB      SER  38   6.303   8.089  -4.820
  246    HG   SER  38           HG       SER  38   6.316   7.986  -7.408
  247    H    GLN  39           H        GLN  39   9.516   9.038  -4.685
  248    HA   GLN  39           HA       GLN  39  10.795   7.138  -2.936
  249    HB2  GLN  39           2HB      GLN  39  11.004  10.116  -3.315
  250    HB3  GLN  39           1HB      GLN  39  11.797   9.311  -1.968
  251    HG2  GLN  39           2HG      GLN  39  13.520   9.156  -3.383
  252    HG3  GLN  39           1HG      GLN  39  12.634   7.777  -4.029
  253   HE21  GLN  39          1HE2      GLN  39  14.075  10.697  -4.746
  254   HE22  GLN  39          2HE2      GLN  39  13.367  10.964  -6.309
  255    H    CYS  40           H        CYS  40   9.956   6.474  -1.086
  256    HA   CYS  40           HA       CYS  40   7.984   8.213   0.242
  257    HB2  CYS  40           2HB      CYS  40   7.632   5.637  -0.811
  258    HB3  CYS  40           1HB      CYS  40   7.680   5.434   0.936
  259    H    GLY  41           H        GLY  41   8.073   8.475   2.413
  260    HA2  GLY  41           1HA      GLY  41  10.323   7.146   3.795
  261    HA3  GLY  41           2HA      GLY  41   9.863   8.817   4.085
  262    H    ALA  42           H        ALA  42   7.137   6.933   3.595
  263    HA   ALA  42           HA       ALA  42   6.610   6.855   6.466
  264    HB1  ALA  42           1HB      ALA  42   4.334   5.975   5.119
  265    HB2  ALA  42           2HB      ALA  42   4.615   7.585   5.782
  266    HB3  ALA  42           3HB      ALA  42   5.002   7.244   4.094
  267    H    SER  43           H        SER  43   4.766   4.746   6.566
  268    HA   SER  43           HA       SER  43   6.622   2.527   6.548
  269    HB2  SER  43           2HB      SER  43   3.818   1.955   7.236
  270    HB3  SER  43           1HB      SER  43   5.293   1.614   8.138
  271    HG   SER  43           HG       SER  43   4.157   3.123   9.291
  272    H    VAL  44           H        VAL  44   6.974   1.710   4.553
  273    HA   VAL  44           HA       VAL  44   4.802   1.309   2.689
  274    HB   VAL  44           HB       VAL  44   7.594   0.194   2.441
  275   HG11  VAL  44          1HG1      VAL  44   5.241   0.192   0.784
  276   HG12  VAL  44          2HG1      VAL  44   6.578   0.999  -0.035
  277   HG13  VAL  44          3HG1      VAL  44   6.774  -0.651   0.556
  278   HG21  VAL  44          3HG2      VAL  44   6.740   2.959   2.413
  279   HG22  VAL  44          1HG2      VAL  44   8.369   2.284   2.364
  280   HG23  VAL  44          2HG2      VAL  44   7.452   2.485   0.872
  281    H    LYS  45           H        LYS  45   3.382  -0.178   3.331
  282    HA   LYS  45           HA       LYS  45   4.423  -2.750   4.323
  283    HB2  LYS  45           2HB      LYS  45   1.801  -1.363   4.895
  284    HB3  LYS  45           1HB      LYS  45   2.198  -2.993   5.423
  285    HG2  LYS  45           2HG      LYS  45   4.109  -0.858   6.156
  286    HG3  LYS  45           1HG      LYS  45   2.536  -0.841   6.961
  287    HD2  LYS  45           2HD      LYS  45   3.170  -2.507   8.294
  288    HD3  LYS  45           1HD      LYS  45   3.526  -3.520   6.894
  289    HE2  LYS  45           2HE      LYS  45   5.691  -1.975   6.835
  290    HE3  LYS  45           1HE      LYS  45   5.336  -1.858   8.556
  291    HZ1  LYS  45           3HZ      LYS  45   5.514  -4.192   8.794
  292    HZ2  LYS  45           1HZ      LYS  45   6.871  -3.696   7.902
  293    HZ3  LYS  45           2HZ      LYS  45   5.568  -4.445   7.113
  294    H    CYS  46           H        CYS  46   3.090  -4.639   3.816
  295    HA   CYS  46           HA       CYS  46   1.957  -4.414   1.112
  296    HB2  CYS  46           2HB      CYS  46   2.995  -6.817   2.635
  297    HB3  CYS  46           1HB      CYS  46   2.251  -6.896   1.044
  298    H    CYS  47           H        CYS  47  -0.101  -3.761   1.551
  299    HA   CYS  47           HA       CYS  47  -1.719  -5.524   3.263
  300    HB2  CYS  47           2HB      CYS  47  -1.655  -2.617   2.886
  301    HB3  CYS  47           1HB      CYS  47  -3.275  -3.300   2.791
  302    H    LYS  48           H        LYS  48  -3.692  -6.292   2.483
  303    HA   LYS  48           HA       LYS  48  -3.707  -6.623  -0.384
  304    HB2  LYS  48           2HB      LYS  48  -5.803  -8.033   0.201
  305    HB3  LYS  48           1HB      LYS  48  -4.215  -8.628   0.656
  306    HG2  LYS  48           2HG      LYS  48  -5.068  -7.120   2.836
  307    HG3  LYS  48           1HG      LYS  48  -6.490  -8.021   2.303
  308    HD2  LYS  48           2HD      LYS  48  -3.785  -9.252   2.828
  309    HD3  LYS  48           1HD      LYS  48  -5.115  -9.222   3.989
  310    HE2  LYS  48           2HE      LYS  48  -6.183 -10.908   2.973
  311    HE3  LYS  48           1HE      LYS  48  -5.894 -10.244   1.366
  312    HZ1  LYS  48           3HZ      LYS  48  -4.480 -12.305   2.778
  313    HZ2  LYS  48           1HZ      LYS  48  -3.439 -11.125   2.154
  314    HZ3  LYS  48           2HZ      LYS  48  -4.499 -11.959   1.120
  315    H    ASP  49           H        ASP  49  -5.556  -6.263  -1.699
  316    HA   ASP  49           HA       ASP  49  -6.834  -3.740  -1.159
  317    HB2  ASP  49           2HB      ASP  49  -5.995  -4.682  -3.430
  318    HB3  ASP  49           1HB      ASP  49  -7.525  -5.553  -3.452
  319    H    ASP  50           H        ASP  50  -7.841  -4.697   0.819
  320    HA   ASP  50           HA       ASP  50 -10.039  -6.515   0.452
  321    HB2  ASP  50           2HB      ASP  50  -8.558  -5.435   2.678
  322    HB3  ASP  50           1HB      ASP  50 -10.288  -5.279   2.969
  323    H    VAL  51           H        VAL  51  -9.680  -3.377  -0.297
  324    HA   VAL  51           HA       VAL  51 -12.504  -2.714   0.217
  325    HB   VAL  51           HB       VAL  51 -11.821  -0.341  -0.271
  326   HG11  VAL  51          1HG1      VAL  51 -10.237  -1.375   2.051
  327   HG12  VAL  51          2HG1      VAL  51 -11.201   0.096   1.926
  328   HG13  VAL  51          3HG1      VAL  51 -11.998  -1.473   2.045
  329   HG21  VAL  51          3HG2      VAL  51  -9.024  -1.441   0.010
  330   HG22  VAL  51          1HG2      VAL  51  -9.752  -0.879  -1.495
  331   HG23  VAL  51          2HG2      VAL  51  -9.474   0.254  -0.174
  332    H    THR  52           H        THR  52 -13.230  -1.032  -1.623
  333    HA   THR  52           HA       THR  52 -13.035  -2.536  -4.082
  334    HB   THR  52           HB       THR  52 -14.536  -0.153  -4.458
  335    HG1  THR  52           1HG      THR  52 -15.921  -1.236  -2.433
  336   HG21  THR  52          3HG2      THR  52 -16.441  -1.912  -4.307
  337   HG22  THR  52          1HG2      THR  52 -15.123  -3.075  -4.161
  338   HG23  THR  52          2HG2      THR  52 -15.242  -2.052  -5.593
  339    H    ASN  53           H        ASN  53 -10.590  -1.408  -3.449
  340    HA   ASN  53           HA       ASN  53  -8.889  -0.100  -4.215
  341    HB2  ASN  53           2HB      ASN  53  -9.666  -1.521  -6.230
  342    HB3  ASN  53           1HB      ASN  53 -10.337  -0.017  -6.848
  343   HD21  ASN  53          1HD2      ASN  53  -8.813  -0.487  -8.602
  344   HD22  ASN  53          2HD2      ASN  53  -7.186   0.067  -8.450
  345    H    THR  54           H        THR  54 -10.796   1.436  -2.896
  346    HA   THR  54           HA       THR  54 -11.150   3.814  -4.573
  347    HB   THR  54           HB       THR  54 -12.378   3.655  -1.869
  348    HG1  THR  54           1HG      THR  54 -12.899   1.892  -3.989
  349   HG21  THR  54          3HG2      THR  54 -13.665   5.288  -2.694
  350   HG22  THR  54          1HG2      THR  54 -14.072   4.339  -4.122
  351   HG23  THR  54          2HG2      THR  54 -12.597   5.308  -4.098
  352    H    GLY  55           H        GLY  55  -8.695   3.968  -4.168
  353    HA2  GLY  55           1HA      GLY  55  -8.043   5.157  -1.583
  354    HA3  GLY  55           2HA      GLY  55  -6.910   4.796  -2.880
  355    H    ASN  56           H        ASN  56  -9.435   7.010  -1.828
  356    HA   ASN  56           HA       ASN  56  -8.963   8.874  -3.969
  357    HB2  ASN  56           2HB      ASN  56 -11.061   8.429  -2.259
  358    HB3  ASN  56           1HB      ASN  56 -10.357   9.899  -1.596
  359   HD21  ASN  56          1HD2      ASN  56  -9.816   9.490  -4.927
  360   HD22  ASN  56          2HD2      ASN  56 -11.056  10.554  -5.496
  361    H    SER  57           H        SER  57  -9.045   9.857  -0.575
  362    HA   SER  57           HA       SER  57  -6.730  11.546  -0.932
  363    HB2  SER  57           2HB      SER  57  -7.331  11.537   1.770
  364    HB3  SER  57           1HB      SER  57  -8.002  12.652   0.579
  365    HG   SER  57           HG       SER  57  -9.342  10.976   2.048
  366    H    GLY  58           H        GLY  58  -7.101   8.374  -0.499
  367    HA2  GLY  58           1HA      GLY  58  -4.773   7.306  -0.095
  368    HA3  GLY  58           2HA      GLY  58  -5.023   7.970   1.519
  369    H    LEU  59           H        LEU  59  -4.869   5.568   2.021
  370    HA   LEU  59           HA       LEU  59  -7.625   4.605   2.162
  371    HB2  LEU  59           2HB      LEU  59  -5.385   3.289   0.808
  372    HB3  LEU  59           1HB      LEU  59  -6.218   2.260   1.960
  373    HG   LEU  59           HG       LEU  59  -7.597   3.750  -0.273
  374   HD11  LEU  59          1HD1      LEU  59  -6.615   0.913  -0.118
  375   HD12  LEU  59          2HD1      LEU  59  -7.809   1.475  -1.288
  376   HD13  LEU  59          3HD1      LEU  59  -6.178   2.146  -1.301
  377   HD21  LEU  59          3HD2      LEU  59  -9.547   2.852   0.435
  378   HD22  LEU  59          1HD2      LEU  59  -8.781   1.380   1.029
  379   HD23  LEU  59          2HD2      LEU  59  -8.719   2.855   1.993
  380    H    ILE  60           H        ILE  60  -7.991   4.757   4.276
  381    HA   ILE  60           HA       ILE  60  -5.945   4.163   6.213
  382    HB   ILE  60           HB       ILE  60  -8.889   4.730   6.598
  383   HG12  ILE  60          2HG1      ILE  60  -6.458   6.486   7.013
  384   HG13  ILE  60          1HG1      ILE  60  -7.598   6.623   5.678
  385   HG21  ILE  60          1HG2      ILE  60  -7.770   5.311   8.975
  386   HG22  ILE  60          2HG2      ILE  60  -8.493   3.748   8.593
  387   HG23  ILE  60          3HG2      ILE  60  -6.746   3.965   8.475
  388   HD11  ILE  60          3HD1      ILE  60  -8.733   6.760   8.398
  389   HD12  ILE  60          1HD1      ILE  60  -7.732   8.115   7.879
  390   HD13  ILE  60          2HD1      ILE  60  -9.153   7.661   6.941
  391    H    ILE  61           H        ILE  61  -5.351   2.109   6.192
  392    HA   ILE  61           HA       ILE  61  -7.438   0.035   6.403
  393    HB   ILE  61           HB       ILE  61  -4.579  -0.470   5.580
  394   HG12  ILE  61          2HG1      ILE  61  -6.667  -0.428   3.483
  395   HG13  ILE  61          1HG1      ILE  61  -6.171   1.144   4.099
  396   HG21  ILE  61          1HG2      ILE  61  -6.059  -2.343   6.371
  397   HG22  ILE  61          2HG2      ILE  61  -7.060  -2.051   4.950
  398   HG23  ILE  61          3HG2      ILE  61  -5.380  -2.545   4.756
  399   HD11  ILE  61          3HD1      ILE  61  -4.756  -0.724   2.366
  400   HD12  ILE  61          1HD1      ILE  61  -4.569   1.019   2.555
  401   HD13  ILE  61          2HD1      ILE  61  -3.771  -0.081   3.680
  402    H    ASN  62           H        ASN  62  -7.176  -1.581   7.967
  403    HA   ASN  62           HA       ASN  62  -5.687  -0.761  10.295
  404    HB2  ASN  62           2HB      ASN  62  -7.843  -2.631   9.713
  405    HB3  ASN  62           1HB      ASN  62  -6.636  -3.334  10.787
  406   HD21  ASN  62          1HD2      ASN  62  -8.148  -3.323  12.511
  407   HD22  ASN  62          2HD2      ASN  62  -8.559  -1.850  13.328
  408    H    ALA  63           H        ALA  63  -3.854  -1.635  11.083
  409    HA   ALA  63           HA       ALA  63  -1.984  -2.641   9.288
  410    HB1  ALA  63           1HB      ALA  63  -1.081  -3.369  11.833
  411    HB2  ALA  63           2HB      ALA  63  -0.702  -1.900  10.934
  412    HB3  ALA  63           3HB      ALA  63  -2.057  -1.918  12.063
  413    H    ALA  64           H        ALA  64  -4.338  -4.351  11.111
  414    HA   ALA  64           HA       ALA  64  -3.089  -6.872  11.298
  415    HB1  ALA  64           1HB      ALA  64  -5.959  -5.997  11.329
  416    HB2  ALA  64           2HB      ALA  64  -5.505  -7.698  11.433
  417    HB3  ALA  64           3HB      ALA  64  -4.956  -6.563  12.665
  418    H    ASN  65           H        ASN  65  -4.396  -5.224   8.573
  419    HA   ASN  65           HA       ASN  65  -4.752  -7.708   7.069
  420    HB2  ASN  65           2HB      ASN  65  -5.925  -5.130   6.909
  421    HB3  ASN  65           1HB      ASN  65  -5.021  -5.384   5.418
  422   HD21  ASN  65          1HD2      ASN  65  -7.859  -5.200   5.722
  423   HD22  ASN  65          2HD2      ASN  65  -8.517  -6.700   5.147
  424    H    CYS  66           H        CYS  66  -2.245  -5.801   7.890
  425    HA   CYS  66           HA       CYS  66  -0.855  -6.024   5.323
  426    HB2  CYS  66           2HB      CYS  66  -0.588  -4.293   7.719
  427    HB3  CYS  66           1HB      CYS  66   0.910  -4.738   6.908
  428    H    VAL  67           H        VAL  67   0.001  -7.999   5.110
  429    HA   VAL  67           HA       VAL  67   0.741  -9.604   7.365
  430    HB   VAL  67           HB       VAL  67   1.612 -11.185   5.586
  431   HG11  VAL  67          1HG1      VAL  67  -1.090 -10.411   6.235
  432   HG12  VAL  67          2HG1      VAL  67  -0.997 -11.108   4.616
  433   HG13  VAL  67          3HG1      VAL  67  -0.407 -12.020   6.006
  434   HG21  VAL  67          3HG2      VAL  67   0.501 -10.557   3.290
  435   HG22  VAL  67          1HG2      VAL  67   0.717  -8.911   3.884
  436   HG23  VAL  67          2HG2      VAL  67   2.113  -9.973   3.706
  437    H    ALA  68           H        ALA  68   2.409  -7.549   5.128
  438    HA   ALA  68           HA       ALA  68   4.901  -8.001   6.595
  439    HB1  ALA  68           1HB      ALA  68   4.792  -9.290   4.366
  440    HB2  ALA  68           2HB      ALA  68   4.945  -7.705   3.607
  441    HB3  ALA  68           3HB      ALA  68   6.213  -8.292   4.683
  Start of MODEL   17
    1    H1   SER   1           1H       SER   1  17.097   6.589   3.297
    2    H2   SER   1           2H       SER   1  17.429   7.998   4.180
    3    H3   SER   1           3H       SER   1  16.320   8.040   2.904
    4    HA   SER   1           HA       SER   1  15.789   6.150   5.045
    5    HB2  SER   1           2HB      SER   1  14.793   8.860   5.614
    6    HB3  SER   1           1HB      SER   1  15.451   7.644   6.711
    7    HG   SER   1           HG       SER   1  16.764   9.582   6.439
    8    H    ALA   2           H        ALA   2  15.092   7.411   2.148
    9    HA   ALA   2           HA       ALA   2  12.196   7.028   2.516
   10    HB1  ALA   2           1HB      ALA   2  13.239   9.385   1.815
   11    HB2  ALA   2           2HB      ALA   2  13.141   8.640   0.218
   12    HB3  ALA   2           3HB      ALA   2  11.687   8.809   1.202
   13    H    THR   3           H        THR   3  11.810   5.037   1.792
   14    HA   THR   3           HA       THR   3  13.408   3.745  -0.186
   15    HB   THR   3           HB       THR   3  10.734   2.635   0.401
   16    HG1  THR   3           1HG      THR   3  12.619   2.484   2.494
   17   HG21  THR   3          3HG2      THR   3  13.485   1.451   0.773
   18   HG22  THR   3          1HG2      THR   3  12.617   1.441  -0.763
   19   HG23  THR   3          2HG2      THR   3  11.950   0.591   0.632
   20    H    THR   4           H        THR   4  13.158   3.706  -2.344
   21    HA   THR   4           HA       THR   4  11.066   5.235  -3.569
   22    HB   THR   4           HB       THR   4  12.581   3.543  -5.388
   23    HG1  THR   4           1HG      THR   4  14.522   5.045  -4.775
   24   HG21  THR   4          3HG2      THR   4  13.112   5.711  -6.404
   25   HG22  THR   4          1HG2      THR   4  12.429   6.536  -5.002
   26   HG23  THR   4          2HG2      THR   4  11.388   5.577  -6.053
   27    H    ILE   5           H        ILE   5   9.235   4.534  -4.468
   28    HA   ILE   5           HA       ILE   5   8.466   1.815  -3.862
   29    HB   ILE   5           HB       ILE   5   6.781   3.979  -5.111
   30   HG12  ILE   5          2HG1      ILE   5   7.702   4.683  -2.922
   31   HG13  ILE   5          1HG1      ILE   5   5.957   4.465  -2.877
   32   HG21  ILE   5          1HG2      ILE   5   5.662   1.977  -5.464
   33   HG22  ILE   5          2HG2      ILE   5   6.208   1.287  -3.935
   34   HG23  ILE   5          3HG2      ILE   5   4.973   2.546  -3.943
   35   HD11  ILE   5          3HD1      ILE   5   7.578   2.132  -2.103
   36   HD12  ILE   5          1HD1      ILE   5   7.616   3.516  -1.011
   37   HD13  ILE   5          2HD1      ILE   5   6.077   2.756  -1.420
   38    H    GLY   6           H        GLY   6   8.775   0.241  -5.224
   39    HA2  GLY   6           1HA      GLY   6   8.254   0.711  -8.090
   40    HA3  GLY   6           2HA      GLY   6   9.254  -0.595  -7.456
   41    HA   PRO   7           HA       PRO   7   4.227  -1.059  -7.284
   42    HB2  PRO   7           2HB      PRO   7   4.073  -2.003  -9.967
   43    HB3  PRO   7           1HB      PRO   7   3.334  -0.556  -9.280
   44    HG2  PRO   7           2HG      PRO   7   5.851  -0.849 -10.815
   45    HG3  PRO   7           1HG      PRO   7   4.750   0.535 -10.703
   46    HD2  PRO   7           2HD      PRO   7   7.129   0.551  -9.481
   47    HD3  PRO   7           1HD      PRO   7   5.698   1.286  -8.720
   48    H    ASN   8           H        ASN   8   6.785  -2.911  -8.919
   49    HA   ASN   8           HA       ASN   8   5.365  -5.398  -8.493
   50    HB2  ASN   8           2HB      ASN   8   7.034  -4.725 -10.441
   51    HB3  ASN   8           1HB      ASN   8   8.229  -5.382  -9.321
   52   HD21  ASN   8          1HD2      ASN   8   8.149  -7.560  -8.777
   53   HD22  ASN   8          2HD2      ASN   8   7.270  -8.712  -9.721
   54    H    THR   9           H        THR   9   5.791  -4.130  -6.086
   55    HA   THR   9           HA       THR   9   7.919  -5.637  -4.758
   56    HB   THR   9           HB       THR   9   6.481  -4.371  -2.775
   57    HG1  THR   9           1HG      THR   9   6.630  -2.539  -4.953
   58   HG21  THR   9          3HG2      THR   9   8.998  -4.405  -3.348
   59   HG22  THR   9          1HG2      THR   9   8.350  -2.982  -2.530
   60   HG23  THR   9          2HG2      THR   9   8.660  -2.937  -4.266
   61    H    CYS  10           H        CYS  10   4.420  -5.227  -4.746
   62    HA   CYS  10           HA       CYS  10   4.113  -7.998  -3.873
   63    HB2  CYS  10           2HB      CYS  10   3.222  -5.583  -2.415
   64    HB3  CYS  10           1HB      CYS  10   2.003  -6.842  -2.594
   65    H    SER  11           H        SER  11   2.452  -9.035  -4.866
   66    HA   SER  11           HA       SER  11   0.253  -7.780  -6.135
   67    HB2  SER  11           2HB      SER  11   1.691  -9.077  -8.320
   68    HB3  SER  11           1HB      SER  11   0.904  -7.501  -8.285
   69    HG   SER  11           HG       SER  11   2.822  -6.719  -7.215
   70    H    ILE  12           H        ILE  12   0.890  -9.829  -4.313
   71    HA   ILE  12           HA       ILE  12   0.582 -12.359  -5.731
   72    HB   ILE  12           HB       ILE  12   0.810 -13.087  -3.135
   73   HG12  ILE  12          2HG1      ILE  12   2.473 -10.565  -3.363
   74   HG13  ILE  12          1HG1      ILE  12   0.960 -10.659  -2.468
   75   HG21  ILE  12          1HG2      ILE  12   2.496 -14.108  -4.158
   76   HG22  ILE  12          2HG2      ILE  12   2.525 -12.887  -5.429
   77   HG23  ILE  12          3HG2      ILE  12   3.456 -12.643  -3.952
   78   HD11  ILE  12          3HD1      ILE  12   3.456 -11.079  -1.445
   79   HD12  ILE  12          1HD1      ILE  12   1.941 -11.608  -0.714
   80   HD13  ILE  12          2HD1      ILE  12   2.871 -12.721  -1.717
   81    H    ASP  13           H        ASP  13  -0.522 -11.890  -2.480
   82    HA   ASP  13           HA       ASP  13  -3.126 -12.931  -3.088
   83    HB2  ASP  13           2HB      ASP  13  -1.677 -13.299  -0.993
   84    HB3  ASP  13           1HB      ASP  13  -2.258 -11.718  -0.480
   85    H    ASP  14           H        ASP  14  -3.250 -10.881  -4.615
   86    HA   ASP  14           HA       ASP  14  -4.052  -8.819  -5.141
   87    HB2  ASP  14           2HB      ASP  14  -6.005 -10.068  -3.662
   88    HB3  ASP  14           1HB      ASP  14  -5.813  -8.541  -2.805
   89    H    TYR  15           H        TYR  15  -1.847  -9.135  -3.158
   90    HA   TYR  15           HA       TYR  15  -2.042  -6.892  -1.375
   91    HB2  TYR  15           2HB      TYR  15  -0.051  -9.018  -1.969
   92    HB3  TYR  15           1HB      TYR  15   0.583  -7.507  -1.333
   93    HD1  TYR  15           1HD      TYR  15  -2.436  -7.440   0.122
   94    HD2  TYR  15           2HD      TYR  15   1.077  -9.832   0.209
   95    HE1  TYR  15           1HE      TYR  15  -2.990  -8.159   2.409
   96    HE2  TYR  15           2HE      TYR  15   0.535 -10.560   2.487
   97    HH   TYR  15           HH       TYR  15  -1.707  -9.049   4.429
   98    H    LYS  16           H        LYS  16  -1.365  -4.873  -1.752
   99    HA   LYS  16           HA       LYS  16   0.211  -4.387  -4.194
  100    HB2  LYS  16           2HB      LYS  16  -1.409  -2.121  -3.294
  101    HB3  LYS  16           1HB      LYS  16  -1.223  -2.794  -4.905
  102    HG2  LYS  16           2HG      LYS  16  -2.765  -4.695  -3.866
  103    HG3  LYS  16           1HG      LYS  16  -3.265  -3.354  -2.835
  104    HD2  LYS  16           2HD      LYS  16  -4.230  -2.211  -4.560
  105    HD3  LYS  16           1HD      LYS  16  -3.112  -2.864  -5.758
  106    HE2  LYS  16           2HE      LYS  16  -5.540  -3.631  -5.882
  107    HE3  LYS  16           1HE      LYS  16  -4.296  -4.878  -5.930
  108    HZ1  LYS  16           3HZ      LYS  16  -4.698  -5.396  -3.653
  109    HZ2  LYS  16           1HZ      LYS  16  -6.193  -5.396  -4.447
  110    HZ3  LYS  16           2HZ      LYS  16  -5.751  -4.082  -3.463
  111    HA   PRO  17           HA       PRO  17   3.059  -2.236  -1.536
  112    HB2  PRO  17           2HB      PRO  17   3.898  -0.248  -3.212
  113    HB3  PRO  17           1HB      PRO  17   4.474  -1.915  -3.319
  114    HG2  PRO  17           2HG      PRO  17   2.364  -0.533  -4.927
  115    HG3  PRO  17           1HG      PRO  17   3.628  -1.650  -5.467
  116    HD2  PRO  17           2HD      PRO  17   1.072  -2.438  -5.108
  117    HD3  PRO  17           1HD      PRO  17   2.443  -3.518  -4.780
  118    H    TYR  18           H        TYR  18   2.246  -1.081   0.101
  119    HA   TYR  18           HA       TYR  18   0.691   1.324  -0.576
  120    HB2  TYR  18           2HB      TYR  18   0.199  -0.848   1.409
  121    HB3  TYR  18           1HB      TYR  18  -0.314   0.788   1.813
  122    HD1  TYR  18           1HD      TYR  18  -1.791   2.006   0.095
  123    HD2  TYR  18           2HD      TYR  18  -1.168  -2.201   0.078
  124    HE1  TYR  18           1HE      TYR  18  -3.813   1.718  -1.261
  125    HE2  TYR  18           2HE      TYR  18  -3.190  -2.500  -1.282
  126    HH   TYR  18           HH       TYR  18  -5.020  -1.506  -2.105
  127    H    CYS  19           H        CYS  19   1.367   3.167   0.227
  128    HA   CYS  19           HA       CYS  19   3.705   3.176   1.960
  129    HB2  CYS  19           2HB      CYS  19   2.488   5.016   0.019
  130    HB3  CYS  19           1HB      CYS  19   3.094   5.812   1.466
  131    H    CYS  20           H        CYS  20   2.779   2.529   3.910
  132    HA   CYS  20           HA       CYS  20   0.581   3.902   5.091
  133    HB2  CYS  20           2HB      CYS  20   2.458   1.755   5.870
  134    HB3  CYS  20           1HB      CYS  20   1.789   2.700   7.197
  135    H    GLN  21           H        GLN  21   0.887   6.029   5.315
  136    HA   GLN  21           HA       GLN  21   2.873   6.861   7.299
  137    HB2  GLN  21           2HB      GLN  21   2.915   9.065   5.787
  138    HB3  GLN  21           1HB      GLN  21   4.057   7.748   5.557
  139    HG2  GLN  21           2HG      GLN  21   1.894   7.043   3.981
  140    HG3  GLN  21           1HG      GLN  21   2.036   8.790   3.771
  141   HE21  GLN  21          1HE2      GLN  21   2.867   8.879   1.766
  142   HE22  GLN  21          2HE2      GLN  21   4.389   8.188   1.309
  143    H    SER  22           H        SER  22   2.339   9.187   8.018
  144    HA   SER  22           HA       SER  22   0.883  10.525   9.134
  145    HB2  SER  22           2HB      SER  22  -0.980   9.936   6.819
  146    HB3  SER  22           1HB      SER  22  -1.060  11.321   7.907
  147    HG   SER  22           HG       SER  22   0.992  10.718   6.028
  148    H    MET  23           H        MET  23   0.842   8.729  10.711
  149    HA   MET  23           HA       MET  23  -1.435   6.950  10.679
  150    HB2  MET  23           2HB      MET  23   0.778   7.422  12.680
  151    HB3  MET  23           1HB      MET  23  -0.536   6.285  12.957
  152    HG2  MET  23           2HG      MET  23   0.294   4.764  11.528
  153    HG3  MET  23           1HG      MET  23   0.881   5.986  10.401
  154    HE1  MET  23           3HE      MET  23   3.811   7.184  11.058
  155    HE2  MET  23           1HE      MET  23   4.314   5.581  10.521
  156    HE3  MET  23           2HE      MET  23   2.848   6.312   9.866
  157    H    SER  24           H        SER  24  -3.124   8.494  10.669
  158    HA   SER  24           HA       SER  24  -3.484  10.488  12.598
  159    HB2  SER  24           2HB      SER  24  -5.996   9.404  11.665
  160    HB3  SER  24           1HB      SER  24  -5.241  10.955  11.291
  161    HG   SER  24           HG       SER  24  -4.641  10.180   9.438
  162    H    GLY  25           H        GLY  25  -3.296   9.934  14.703
  163    HA2  GLY  25           1HA      GLY  25  -4.221   9.257  16.733
  164    HA3  GLY  25           2HA      GLY  25  -5.436   8.347  15.846
  165    H    SER  26           H        SER  26  -2.259   7.793  14.805
  166    HA   SER  26           HA       SER  26  -0.685   6.202  15.128
  167    HB2  SER  26           2HB      SER  26  -2.121   5.618  17.724
  168    HB3  SER  26           1HB      SER  26  -0.539   4.983  17.266
  169    HG   SER  26           HG       SER  26   0.022   6.733  18.360
  170    H    ALA  27           H        ALA  27  -3.992   5.118  15.774
  171    HA   ALA  27           HA       ALA  27  -3.398   2.382  15.125
  172    HB1  ALA  27           1HB      ALA  27  -5.196   2.159  16.414
  173    HB2  ALA  27           2HB      ALA  27  -5.630   3.857  16.222
  174    HB3  ALA  27           3HB      ALA  27  -6.153   2.672  15.026
  175    H    SER  28           H        SER  28  -5.214   4.991  13.544
  176    HA   SER  28           HA       SER  28  -5.677   3.415  11.187
  177    HB2  SER  28           2HB      SER  28  -6.180   6.183  10.720
  178    HB3  SER  28           1HB      SER  28  -7.351   4.887  10.968
  179    HG   SER  28           HG       SER  28  -6.288   6.729  12.809
  180    H    LEU  29           H        LEU  29  -4.103   3.058   9.758
  181    HA   LEU  29           HA       LEU  29  -2.013   5.080   9.427
  182    HB2  LEU  29           2HB      LEU  29  -1.517   2.806   7.795
  183    HB3  LEU  29           1HB      LEU  29  -0.607   3.386   9.173
  184    HG   LEU  29           HG       LEU  29  -2.908   1.949  10.108
  185   HD11  LEU  29          1HD1      LEU  29  -2.987   0.065   8.921
  186   HD12  LEU  29          2HD1      LEU  29  -2.158   0.977   7.658
  187   HD13  LEU  29          3HD1      LEU  29  -1.230  -0.023   8.777
  188   HD21  LEU  29          3HD2      LEU  29   0.068   1.756  10.299
  189   HD22  LEU  29          1HD2      LEU  29  -1.112   2.133  11.556
  190   HD23  LEU  29          2HD2      LEU  29  -0.951   0.477  10.963
  191    H    GLY  30           H        GLY  30  -1.938   6.358   7.710
  192    HA2  GLY  30           1HA      GLY  30  -3.879   6.094   5.599
  193    HA3  GLY  30           2HA      GLY  30  -2.650   7.346   5.746
  194    H    CYS  31           H        CYS  31  -3.026   3.899   5.027
  195    HA   CYS  31           HA       CYS  31  -0.546   3.772   3.587
  196    HB2  CYS  31           2HB      CYS  31  -2.397   1.928   4.700
  197    HB3  CYS  31           1HB      CYS  31  -2.270   1.570   2.983
  198    H    VAL  32           H        VAL  32  -0.695   5.261   1.933
  199    HA   VAL  32           HA       VAL  32  -2.858   5.094   0.007
  200    HB   VAL  32           HB       VAL  32  -1.731   6.894  -1.176
  201   HG11  VAL  32          1HG1      VAL  32  -1.762   7.304   1.811
  202   HG12  VAL  32          2HG1      VAL  32  -1.682   8.601   0.616
  203   HG13  VAL  32          3HG1      VAL  32  -3.102   7.556   0.692
  204   HG21  VAL  32          3HG2      VAL  32   0.390   7.852  -0.226
  205   HG22  VAL  32          1HG2      VAL  32   0.528   6.393   0.755
  206   HG23  VAL  32          2HG2      VAL  32   0.569   6.278  -1.004
  207    H    VAL  33           H        VAL  33  -2.335   4.802  -2.345
  208    HA   VAL  33           HA       VAL  33  -0.936   2.393  -2.793
  209    HB   VAL  33           HB       VAL  33  -1.770   4.488  -4.812
  210   HG11  VAL  33          1HG1      VAL  33  -1.601   1.678  -5.648
  211   HG12  VAL  33          2HG1      VAL  33  -1.102   3.146  -6.488
  212   HG13  VAL  33          3HG1      VAL  33  -0.050   2.428  -5.269
  213   HG21  VAL  33          3HG2      VAL  33  -3.259   2.476  -3.308
  214   HG22  VAL  33          1HG2      VAL  33  -3.838   3.873  -4.219
  215   HG23  VAL  33          2HG2      VAL  33  -3.491   2.358  -5.054
  216    H    GLY  34           H        GLY  34   1.119   1.991  -3.344
  217    HA2  GLY  34           1HA      GLY  34   3.173   3.777  -2.854
  218    HA3  GLY  34           2HA      GLY  34   3.334   2.320  -3.818
  219    H    VAL  35           H        VAL  35   3.985   5.443  -3.892
  220    HA   VAL  35           HA       VAL  35   2.964   6.162  -6.473
  221    HB   VAL  35           HB       VAL  35   5.082   7.906  -5.813
  222   HG11  VAL  35          1HG1      VAL  35   2.894   9.287  -5.093
  223   HG12  VAL  35          2HG1      VAL  35   3.356   8.997  -6.771
  224   HG13  VAL  35          3HG1      VAL  35   2.141   7.975  -6.001
  225   HG21  VAL  35          3HG2      VAL  35   3.811   8.513  -3.480
  226   HG22  VAL  35          1HG2      VAL  35   3.817   6.750  -3.431
  227   HG23  VAL  35          2HG2      VAL  35   5.335   7.633  -3.594
  228    H    ILE  36           H        ILE  36   3.722   5.189  -8.188
  229    HA   ILE  36           HA       ILE  36   6.108   3.796  -8.440
  230    HB   ILE  36           HB       ILE  36   4.676   5.104 -10.747
  231   HG12  ILE  36          2HG1      ILE  36   3.886   2.367 -10.212
  232   HG13  ILE  36          1HG1      ILE  36   3.524   3.409  -8.838
  233   HG21  ILE  36          1HG2      ILE  36   5.454   3.140 -11.986
  234   HG22  ILE  36          2HG2      ILE  36   6.798   4.044 -11.287
  235   HG23  ILE  36          3HG2      ILE  36   6.256   2.545 -10.531
  236   HD11  ILE  36          3HD1      ILE  36   1.598   3.587 -10.057
  237   HD12  ILE  36          1HD1      ILE  36   2.508   4.963 -10.678
  238   HD13  ILE  36          2HD1      ILE  36   2.435   3.464 -11.604
  239    H    GLY  37           H        GLY  37   8.105   4.573  -8.289
  240    HA2  GLY  37           1HA      GLY  37   9.956   5.685  -9.231
  241    HA3  GLY  37           2HA      GLY  37   8.852   6.795 -10.030
  242    H    SER  38           H        SER  38   7.732   6.618  -6.982
  243    HA   SER  38           HA       SER  38   9.363   8.921  -6.133
  244    HB2  SER  38           2HB      SER  38   6.629   8.406  -5.037
  245    HB3  SER  38           1HB      SER  38   7.471   9.941  -5.276
  246    HG   SER  38           HG       SER  38   7.149   8.757  -7.646
  247    H    GLN  39           H        GLN  39   9.203   9.190  -3.628
  248    HA   GLN  39           HA       GLN  39  10.039   6.606  -2.529
  249    HB2  GLN  39           2HB      GLN  39  10.569   9.319  -1.335
  250    HB3  GLN  39           1HB      GLN  39  11.393   7.805  -0.991
  251    HG2  GLN  39           2HG      GLN  39  12.956   8.614  -2.368
  252    HG3  GLN  39           1HG      GLN  39  11.874   8.044  -3.639
  253   HE21  GLN  39          1HE2      GLN  39  13.827  10.303  -3.458
  254   HE22  GLN  39          2HE2      GLN  39  12.921  11.700  -3.944
  255    H    CYS  40           H        CYS  40   9.403   5.943  -0.473
  256    HA   CYS  40           HA       CYS  40   6.780   6.806   0.367
  257    HB2  CYS  40           2HB      CYS  40   8.019   4.405   0.459
  258    HB3  CYS  40           1HB      CYS  40   8.366   4.977   2.085
  259    H    GLY  41           H        GLY  41   6.327   7.472   2.587
  260    HA2  GLY  41           1HA      GLY  41   8.396   9.349   3.477
  261    HA3  GLY  41           2HA      GLY  41   6.685   9.440   3.866
  262    H    ALA  42           H        ALA  42   6.129   6.977   4.857
  263    HA   ALA  42           HA       ALA  42   7.792   6.959   7.288
  264    HB1  ALA  42           1HB      ALA  42   4.879   6.402   6.854
  265    HB2  ALA  42           2HB      ALA  42   5.717   5.844   8.301
  266    HB3  ALA  42           3HB      ALA  42   5.637   7.568   7.939
  267    H    SER  43           H        SER  43   5.541   4.540   5.919
  268    HA   SER  43           HA       SER  43   7.746   2.625   5.817
  269    HB2  SER  43           2HB      SER  43   5.616   1.196   6.981
  270    HB3  SER  43           1HB      SER  43   7.148   1.643   7.739
  271    HG   SER  43           HG       SER  43   5.007   3.477   7.621
  272    H    VAL  44           H        VAL  44   7.667   1.688   3.889
  273    HA   VAL  44           HA       VAL  44   5.163   1.452   2.453
  274    HB   VAL  44           HB       VAL  44   6.978   1.993   1.036
  275   HG11  VAL  44          1HG1      VAL  44   9.052   0.682   0.905
  276   HG12  VAL  44          2HG1      VAL  44   8.815   1.392   2.502
  277   HG13  VAL  44          3HG1      VAL  44   8.488  -0.323   2.242
  278   HG21  VAL  44          3HG2      VAL  44   7.091  -0.859   0.364
  279   HG22  VAL  44          1HG2      VAL  44   5.462  -0.213   0.561
  280   HG23  VAL  44          2HG2      VAL  44   6.566   0.517  -0.605
  281    H    LYS  45           H        LYS  45   3.832  -0.190   2.770
  282    HA   LYS  45           HA       LYS  45   4.962  -2.765   3.641
  283    HB2  LYS  45           2HB      LYS  45   2.252  -2.028   4.602
  284    HB3  LYS  45           1HB      LYS  45   3.497  -2.993   5.381
  285    HG2  LYS  45           2HG      LYS  45   4.109  -0.130   5.078
  286    HG3  LYS  45           1HG      LYS  45   2.782  -0.526   6.175
  287    HD2  LYS  45           2HD      LYS  45   5.535  -1.756   6.297
  288    HD3  LYS  45           1HD      LYS  45   4.995  -0.402   7.293
  289    HE2  LYS  45           2HE      LYS  45   3.685  -1.707   8.598
  290    HE3  LYS  45           1HE      LYS  45   3.272  -2.794   7.279
  291    HZ1  LYS  45           3HZ      LYS  45   5.777  -2.765   8.865
  292    HZ2  LYS  45           1HZ      LYS  45   5.577  -3.685   7.449
  293    HZ3  LYS  45           2HZ      LYS  45   4.610  -3.994   8.811
  294    H    CYS  46           H        CYS  46   3.475  -4.595   3.294
  295    HA   CYS  46           HA       CYS  46   1.977  -4.251   0.794
  296    HB2  CYS  46           2HB      CYS  46   3.025  -6.699   2.214
  297    HB3  CYS  46           1HB      CYS  46   1.952  -6.789   0.821
  298    H    CYS  47           H        CYS  47  -0.099  -3.788   1.041
  299    HA   CYS  47           HA       CYS  47  -1.528  -4.993   3.318
  300    HB2  CYS  47           2HB      CYS  47  -1.122  -2.234   2.698
  301    HB3  CYS  47           1HB      CYS  47  -2.835  -2.599   2.518
  302    H    LYS  48           H        LYS  48  -3.875  -5.135   3.024
  303    HA   LYS  48           HA       LYS  48  -4.600  -5.618   0.212
  304    HB2  LYS  48           2HB      LYS  48  -4.451  -7.698   1.543
  305    HB3  LYS  48           1HB      LYS  48  -5.630  -7.047   2.676
  306    HG2  LYS  48           2HG      LYS  48  -7.308  -6.985   0.908
  307    HG3  LYS  48           1HG      LYS  48  -6.127  -7.619  -0.238
  308    HD2  LYS  48           2HD      LYS  48  -6.783  -9.095   2.288
  309    HD3  LYS  48           1HD      LYS  48  -7.786  -9.263   0.845
  310    HE2  LYS  48           2HE      LYS  48  -5.487  -9.697  -0.328
  311    HE3  LYS  48           1HE      LYS  48  -4.957 -10.096   1.306
  312    HZ1  LYS  48           3HZ      LYS  48  -7.203 -11.501   1.180
  313    HZ2  LYS  48           1HZ      LYS  48  -5.692 -12.121   0.706
  314    HZ3  LYS  48           2HZ      LYS  48  -6.769 -11.527  -0.460
  315    H    ASP  49           H        ASP  49  -5.944  -4.115  -0.481
  316    HA   ASP  49           HA       ASP  49  -7.589  -2.594   1.334
  317    HB2  ASP  49           2HB      ASP  49  -8.413  -1.558  -0.869
  318    HB3  ASP  49           1HB      ASP  49  -6.724  -1.309  -0.446
  319    H    ASP  50           H        ASP  50  -8.632  -4.705   2.020
  320    HA   ASP  50           HA       ASP  50 -10.475  -6.035   0.353
  321    HB2  ASP  50           2HB      ASP  50  -9.553  -6.565   2.798
  322    HB3  ASP  50           1HB      ASP  50 -11.063  -5.787   3.264
  323    H    VAL  51           H        VAL  51 -10.654  -3.143   2.263
  324    HA   VAL  51           HA       VAL  51 -13.461  -2.724   1.995
  325    HB   VAL  51           HB       VAL  51 -12.530  -1.547   3.779
  326   HG11  VAL  51          1HG1      VAL  51 -10.527  -0.224   3.730
  327   HG12  VAL  51          2HG1      VAL  51 -10.179  -1.807   3.032
  328   HG13  VAL  51          3HG1      VAL  51 -10.399  -0.408   1.981
  329   HG21  VAL  51          3HG2      VAL  51 -12.453   0.694   1.806
  330   HG22  VAL  51          1HG2      VAL  51 -13.964  -0.158   2.126
  331   HG23  VAL  51          2HG2      VAL  51 -13.118   0.659   3.441
  332    H    THR  52           H        THR  52 -14.528  -2.089   0.234
  333    HA   THR  52           HA       THR  52 -12.969  -0.927  -1.986
  334    HB   THR  52           HB       THR  52 -15.106  -1.696  -3.308
  335    HG1  THR  52           1HG      THR  52 -15.120  -3.724  -1.336
  336   HG21  THR  52          3HG2      THR  52 -13.257  -3.866  -2.356
  337   HG22  THR  52          1HG2      THR  52 -12.702  -2.570  -3.413
  338   HG23  THR  52          2HG2      THR  52 -13.982  -3.658  -3.951
  339    H    ASN  53           H        ASN  53 -15.614  -0.443   0.174
  340    HA   ASN  53           HA       ASN  53 -17.004   1.496  -1.391
  341    HB2  ASN  53           2HB      ASN  53 -18.246   1.981   0.707
  342    HB3  ASN  53           1HB      ASN  53 -18.228   0.271   0.293
  343   HD21  ASN  53          1HD2      ASN  53 -18.444   1.937   2.860
  344   HD22  ASN  53          2HD2      ASN  53 -17.338   1.144   3.937
  345    H    THR  54           H        THR  54 -14.575   1.667   1.159
  346    HA   THR  54           HA       THR  54 -14.489   4.577   0.837
  347    HB   THR  54           HB       THR  54 -12.673   3.293   2.786
  348    HG1  THR  54           1HG      THR  54 -14.185   2.338   3.930
  349   HG21  THR  54          3HG2      THR  54 -13.900   5.161   4.169
  350   HG22  THR  54          1HG2      THR  54 -14.390   5.724   2.571
  351   HG23  THR  54          2HG2      THR  54 -12.677   5.585   2.970
  352    H    GLY  55           H        GLY  55 -12.860   5.571  -0.206
  353    HA2  GLY  55           1HA      GLY  55 -10.214   4.939  -0.328
  354    HA3  GLY  55           2HA      GLY  55 -10.926   3.965  -1.607
  355    H    ASN  56           H        ASN  56 -10.527   7.254  -0.420
  356    HA   ASN  56           HA       ASN  56 -11.340   8.340  -3.005
  357    HB2  ASN  56           2HB      ASN  56 -11.744   9.247  -0.475
  358    HB3  ASN  56           1HB      ASN  56 -10.313  10.168  -0.923
  359   HD21  ASN  56          1HD2      ASN  56 -13.064  11.026  -0.437
  360   HD22  ASN  56          2HD2      ASN  56 -13.555  11.857  -1.878
  361    H    SER  57           H        SER  57  -8.964  10.064  -1.211
  362    HA   SER  57           HA       SER  57  -7.089   9.964  -3.388
  363    HB2  SER  57           2HB      SER  57  -5.836  11.205  -1.252
  364    HB3  SER  57           1HB      SER  57  -6.803  12.020  -2.484
  365    HG   SER  57           HG       SER  57  -8.116  12.514  -0.925
  366    H    GLY  58           H        GLY  58  -6.727   9.352   0.094
  367    HA2  GLY  58           1HA      GLY  58  -4.846   7.179  -0.543
  368    HA3  GLY  58           2HA      GLY  58  -4.931   8.032   0.996
  369    H    LEU  59           H        LEU  59  -5.016   5.738   1.797
  370    HA   LEU  59           HA       LEU  59  -7.827   4.973   2.032
  371    HB2  LEU  59           2HB      LEU  59  -5.902   3.518   0.539
  372    HB3  LEU  59           1HB      LEU  59  -6.243   2.596   1.991
  373    HG   LEU  59           HG       LEU  59  -8.430   3.614   0.188
  374   HD11  LEU  59          1HD1      LEU  59  -7.963   0.802  -0.074
  375   HD12  LEU  59          2HD1      LEU  59  -8.006   2.046  -1.324
  376   HD13  LEU  59          3HD1      LEU  59  -6.496   1.689  -0.485
  377   HD21  LEU  59          3HD2      LEU  59  -8.577   1.176   1.889
  378   HD22  LEU  59          1HD2      LEU  59  -8.699   2.758   2.662
  379   HD23  LEU  59          2HD2      LEU  59  -9.851   2.297   1.408
  380    H    ILE  60           H        ILE  60  -8.320   4.941   4.104
  381    HA   ILE  60           HA       ILE  60  -6.298   4.550   6.134
  382    HB   ILE  60           HB       ILE  60  -9.301   4.768   6.448
  383   HG12  ILE  60          2HG1      ILE  60  -7.328   6.939   7.094
  384   HG13  ILE  60          1HG1      ILE  60  -7.909   6.743   5.445
  385   HG21  ILE  60          1HG2      ILE  60  -8.411   5.562   8.805
  386   HG22  ILE  60          2HG2      ILE  60  -8.660   3.852   8.454
  387   HG23  ILE  60          3HG2      ILE  60  -7.040   4.542   8.374
  388   HD11  ILE  60          3HD1      ILE  60 -10.206   6.703   6.994
  389   HD12  ILE  60          1HD1      ILE  60  -9.194   7.948   7.725
  390   HD13  ILE  60          2HD1      ILE  60  -9.611   8.042   6.014
  391    H    ILE  61           H        ILE  61  -5.516   2.523   6.044
  392    HA   ILE  61           HA       ILE  61  -7.412   0.287   5.927
  393    HB   ILE  61           HB       ILE  61  -4.422   0.094   5.568
  394   HG12  ILE  61          2HG1      ILE  61  -6.530   0.549   3.443
  395   HG13  ILE  61          1HG1      ILE  61  -5.286   1.696   3.923
  396   HG21  ILE  61          1HG2      ILE  61  -5.338  -1.871   4.079
  397   HG22  ILE  61          2HG2      ILE  61  -5.161  -2.063   5.823
  398   HG23  ILE  61          3HG2      ILE  61  -6.745  -1.719   5.131
  399   HD11  ILE  61          3HD1      ILE  61  -5.139  -0.629   2.150
  400   HD12  ILE  61          1HD1      ILE  61  -4.206   0.867   2.148
  401   HD13  ILE  61          2HD1      ILE  61  -3.774  -0.441   3.249
  402    H    ASN  62           H        ASN  62  -7.228  -1.455   7.383
  403    HA   ASN  62           HA       ASN  62  -6.224  -0.727   9.996
  404    HB2  ASN  62           2HB      ASN  62  -8.181  -1.840  10.362
  405    HB3  ASN  62           1HB      ASN  62  -8.045  -2.776   8.879
  406   HD21  ASN  62          1HD2      ASN  62  -7.323  -2.619  12.254
  407   HD22  ASN  62          2HD2      ASN  62  -6.797  -4.259  12.427
  408    H    ALA  63           H        ALA  63  -4.448  -1.485  10.949
  409    HA   ALA  63           HA       ALA  63  -2.310  -2.212   9.303
  410    HB1  ALA  63           1HB      ALA  63  -2.531  -2.275  12.303
  411    HB2  ALA  63           2HB      ALA  63  -1.024  -2.405  11.395
  412    HB3  ALA  63           3HB      ALA  63  -1.985  -0.926  11.305
  413    H    ALA  64           H        ALA  64  -4.585  -4.240  10.907
  414    HA   ALA  64           HA       ALA  64  -2.921  -6.438  11.504
  415    HB1  ALA  64           1HB      ALA  64  -5.772  -6.929  10.862
  416    HB2  ALA  64           2HB      ALA  64  -4.792  -7.505  12.212
  417    HB3  ALA  64           3HB      ALA  64  -5.399  -5.849  12.206
  418    H    ASN  65           H        ASN  65  -4.625  -5.531   8.555
  419    HA   ASN  65           HA       ASN  65  -4.099  -8.123   7.350
  420    HB2  ASN  65           2HB      ASN  65  -6.029  -6.177   6.909
  421    HB3  ASN  65           1HB      ASN  65  -4.983  -6.063   5.493
  422   HD21  ASN  65          1HD2      ASN  65  -4.452  -8.179   4.454
  423   HD22  ASN  65          2HD2      ASN  65  -5.723  -9.347   4.346
  424    H    CYS  66           H        CYS  66  -2.226  -5.549   7.956
  425    HA   CYS  66           HA       CYS  66  -0.759  -5.581   5.432
  426    HB2  CYS  66           2HB      CYS  66  -1.102  -3.692   7.567
  427    HB3  CYS  66           1HB      CYS  66   0.611  -4.067   7.408
  428    H    VAL  67           H        VAL  67   0.994  -6.827   5.137
  429    HA   VAL  67           HA       VAL  67   1.990  -8.391   7.378
  430    HB   VAL  67           HB       VAL  67   3.579  -9.268   5.473
  431   HG11  VAL  67          1HG1      VAL  67   0.867 -10.195   4.901
  432   HG12  VAL  67          2HG1      VAL  67   2.274 -11.080   5.495
  433   HG13  VAL  67          3HG1      VAL  67   1.275 -10.157   6.617
  434   HG21  VAL  67          3HG2      VAL  67   1.386  -7.897   3.941
  435   HG22  VAL  67          1HG2      VAL  67   3.130  -7.727   3.746
  436   HG23  VAL  67          2HG2      VAL  67   2.333  -9.227   3.272
  437    H    ALA  68           H        ALA  68   4.553  -8.132   5.367
  438    HA   ALA  68           HA       ALA  68   6.065  -6.480   7.116
  439    HB1  ALA  68           1HB      ALA  68   7.895  -7.069   5.868
  440    HB2  ALA  68           2HB      ALA  68   6.811  -8.401   5.472
  441    HB3  ALA  68           3HB      ALA  68   7.002  -7.054   4.347
  Start of MODEL   18
    1    H1   SER   1           1H       SER   1  17.967   7.612   4.545
    2    H2   SER   1           2H       SER   1  16.364   8.003   4.937
    3    H3   SER   1           3H       SER   1  16.978   8.378   3.403
    4    HA   SER   1           HA       SER   1  17.179   6.092   2.837
    5    HB2  SER   1           2HB      SER   1  15.769   5.155   5.263
    6    HB3  SER   1           1HB      SER   1  17.065   4.388   4.343
    7    HG   SER   1           HG       SER   1  18.503   5.274   5.618
    8    H    ALA   2           H        ALA   2  15.702   6.470   1.300
    9    HA   ALA   2           HA       ALA   2  12.875   6.293   2.102
   10    HB1  ALA   2           1HB      ALA   2  12.339   7.873   0.255
   11    HB2  ALA   2           2HB      ALA   2  13.265   8.598   1.570
   12    HB3  ALA   2           3HB      ALA   2  14.069   8.164   0.062
   13    H    THR   3           H        THR   3  11.806   4.735   1.084
   14    HA   THR   3           HA       THR   3  13.229   3.129  -0.850
   15    HB   THR   3           HB       THR   3  10.434   2.487  -0.057
   16    HG1  THR   3           1HG      THR   3  11.967   1.560   1.889
   17   HG21  THR   3          3HG2      THR   3  12.475   0.488   0.392
   18   HG22  THR   3          1HG2      THR   3  12.566   1.142  -1.243
   19   HG23  THR   3          2HG2      THR   3  11.059   0.432  -0.659
   20    H    THR   4           H        THR   4  13.039   3.392  -2.976
   21    HA   THR   4           HA       THR   4  10.956   5.002  -4.140
   22    HB   THR   4           HB       THR   4  12.639   3.368  -5.931
   23    HG1  THR   4           1HG      THR   4  14.548   4.362  -5.371
   24   HG21  THR   4          3HG2      THR   4  12.291   5.105  -7.298
   25   HG22  THR   4          1HG2      THR   4  12.870   6.257  -6.096
   26   HG23  THR   4          2HG2      THR   4  11.187   5.732  -6.075
   27    H    ILE   5           H        ILE   5   8.996   4.215  -4.479
   28    HA   ILE   5           HA       ILE   5   8.634   1.327  -4.436
   29    HB   ILE   5           HB       ILE   5   6.693   3.610  -4.117
   30   HG12  ILE   5          2HG1      ILE   5   8.099   1.689  -2.299
   31   HG13  ILE   5          1HG1      ILE   5   7.855   3.421  -2.113
   32   HG21  ILE   5          1HG2      ILE   5   5.912   0.767  -3.640
   33   HG22  ILE   5          2HG2      ILE   5   4.901   2.164  -4.007
   34   HG23  ILE   5          3HG2      ILE   5   5.862   1.410  -5.282
   35   HD11  ILE   5          3HD1      ILE   5   6.548   1.596  -0.684
   36   HD12  ILE   5          1HD1      ILE   5   5.860   3.165  -1.103
   37   HD13  ILE   5          2HD1      ILE   5   5.440   1.737  -2.047
   38    H    GLY   6           H        GLY   6   8.026   0.130  -6.078
   39    HA2  GLY   6           1HA      GLY   6   6.708   1.414  -8.385
   40    HA3  GLY   6           2HA      GLY   6   7.825   0.061  -8.562
   41    HA   PRO   7           HA       PRO   7   3.272  -1.232  -7.736
   42    HB2  PRO   7           2HB      PRO   7   2.672  -2.216 -10.211
   43    HB3  PRO   7           1HB      PRO   7   2.339  -0.554  -9.710
   44    HG2  PRO   7           2HG      PRO   7   4.631  -1.626 -11.311
   45    HG3  PRO   7           1HG      PRO   7   3.664  -0.162 -11.580
   46    HD2  PRO   7           2HD      PRO   7   6.098  -0.058 -10.449
   47    HD3  PRO   7           1HD      PRO   7   4.785   1.033  -9.950
   48    H    ASN   8           H        ASN   8   6.149  -2.633  -8.955
   49    HA   ASN   8           HA       ASN   8   5.070  -5.352  -8.820
   50    HB2  ASN   8           2HB      ASN   8   6.697  -4.297 -10.667
   51    HB3  ASN   8           1HB      ASN   8   7.915  -4.872  -9.534
   52   HD21  ASN   8          1HD2      ASN   8   4.772  -6.276 -10.380
   53   HD22  ASN   8          2HD2      ASN   8   5.418  -7.770 -10.972
   54    H    THR   9           H        THR   9   5.792  -3.488  -6.498
   55    HA   THR   9           HA       THR   9   7.951  -4.822  -5.154
   56    HB   THR   9           HB       THR   9   6.800  -3.558  -3.129
   57    HG1  THR   9           1HG      THR   9   5.919  -1.843  -5.180
   58   HG21  THR   9          3HG2      THR   9   8.513  -2.583  -5.342
   59   HG22  THR   9          1HG2      THR   9   8.842  -2.679  -3.612
   60   HG23  THR   9          2HG2      THR   9   7.851  -1.367  -4.248
   61    H    CYS  10           H        CYS  10   4.477  -4.563  -4.470
   62    HA   CYS  10           HA       CYS  10   4.590  -7.021  -2.915
   63    HB2  CYS  10           2HB      CYS  10   2.271  -5.125  -3.331
   64    HB3  CYS  10           1HB      CYS  10   2.373  -6.418  -2.140
   65    H    SER  11           H        SER  11   4.175  -8.890  -3.849
   66    HA   SER  11           HA       SER  11   2.072  -9.206  -5.782
   67    HB2  SER  11           2HB      SER  11   4.972  -9.588  -6.568
   68    HB3  SER  11           1HB      SER  11   3.613 -10.223  -7.496
   69    HG   SER  11           HG       SER  11   3.238  -7.607  -6.948
   70    H    ILE  12           H        ILE  12   3.124 -10.159  -3.117
   71    HA   ILE  12           HA       ILE  12   3.747 -12.946  -3.476
   72    HB   ILE  12           HB       ILE  12   2.744 -11.743  -0.912
   73   HG12  ILE  12          2HG1      ILE  12   5.653 -11.631  -1.645
   74   HG13  ILE  12          1HG1      ILE  12   4.565 -10.324  -2.110
   75   HG21  ILE  12          1HG2      ILE  12   4.993 -13.678  -1.176
   76   HG22  ILE  12          2HG2      ILE  12   3.837 -13.463   0.138
   77   HG23  ILE  12          3HG2      ILE  12   3.329 -14.234  -1.363
   78   HD11  ILE  12          3HD1      ILE  12   5.035 -11.287   0.703
   79   HD12  ILE  12          1HD1      ILE  12   5.744  -9.847  -0.027
   80   HD13  ILE  12          2HD1      ILE  12   4.001  -9.944   0.217
   81    H    ASP  13           H        ASP  13   1.143 -11.318  -1.755
   82    HA   ASP  13           HA       ASP  13  -0.780 -13.304  -2.708
   83    HB2  ASP  13           2HB      ASP  13  -0.496 -12.349  -0.232
   84    HB3  ASP  13           1HB      ASP  13  -1.500 -11.055  -0.872
   85    H    ASP  14           H        ASP  14  -3.064 -11.734  -2.785
   86    HA   ASP  14           HA       ASP  14  -2.610 -10.049  -5.093
   87    HB2  ASP  14           2HB      ASP  14  -4.694 -11.501  -4.621
   88    HB3  ASP  14           1HB      ASP  14  -5.183 -10.213  -3.526
   89    H    TYR  15           H        TYR  15  -1.061  -9.099  -3.179
   90    HA   TYR  15           HA       TYR  15  -2.415  -7.005  -1.666
   91    HB2  TYR  15           2HB      TYR  15   0.401  -8.085  -1.702
   92    HB3  TYR  15           1HB      TYR  15  -0.010  -6.610  -0.837
   93    HD1  TYR  15           1HD      TYR  15  -2.851  -7.770  -0.047
   94    HD2  TYR  15           2HD      TYR  15   1.145  -9.178   0.318
   95    HE1  TYR  15           1HE      TYR  15  -3.505  -9.105   1.915
   96    HE2  TYR  15           2HE      TYR  15   0.505 -10.515   2.274
   97    HH   TYR  15           HH       TYR  15  -2.641 -11.216   3.081
   98    H    LYS  16           H        LYS  16  -1.516  -4.815  -1.678
   99    HA   LYS  16           HA       LYS  16  -0.074  -4.094  -4.130
  100    HB2  LYS  16           2HB      LYS  16  -1.602  -1.857  -3.626
  101    HB3  LYS  16           1HB      LYS  16  -1.929  -3.051  -4.872
  102    HG2  LYS  16           2HG      LYS  16  -3.198  -4.245  -2.875
  103    HG3  LYS  16           1HG      LYS  16  -3.286  -2.586  -2.277
  104    HD2  LYS  16           2HD      LYS  16  -4.154  -3.449  -5.036
  105    HD3  LYS  16           1HD      LYS  16  -5.244  -3.271  -3.660
  106    HE2  LYS  16           2HE      LYS  16  -3.855  -0.881  -3.702
  107    HE3  LYS  16           1HE      LYS  16  -4.101  -1.248  -5.410
  108    HZ1  LYS  16           3HZ      LYS  16  -6.507  -1.651  -4.769
  109    HZ2  LYS  16           1HZ      LYS  16  -5.980  -0.037  -4.767
  110    HZ3  LYS  16           2HZ      LYS  16  -6.141  -0.876  -3.306
  111    HA   PRO  17           HA       PRO  17   2.597  -2.015  -1.304
  112    HB2  PRO  17           2HB      PRO  17   3.554  -0.013  -2.886
  113    HB3  PRO  17           1HB      PRO  17   4.069  -1.697  -3.036
  114    HG2  PRO  17           2HG      PRO  17   2.067  -0.174  -4.653
  115    HG3  PRO  17           1HG      PRO  17   3.307  -1.319  -5.197
  116    HD2  PRO  17           2HD      PRO  17   0.705  -2.012  -4.935
  117    HD3  PRO  17           1HD      PRO  17   2.029  -3.159  -4.644
  118    H    TYR  18           H        TYR  18   1.935  -0.794   0.339
  119    HA   TYR  18           HA       TYR  18   0.476   1.685  -0.273
  120    HB2  TYR  18           2HB      TYR  18   0.038  -0.378   1.861
  121    HB3  TYR  18           1HB      TYR  18  -0.456   1.290   2.132
  122    HD1  TYR  18           1HD      TYR  18  -1.908   2.329   0.176
  123    HD2  TYR  18           2HD      TYR  18  -1.487  -1.833   0.930
  124    HE1  TYR  18           1HE      TYR  18  -4.013   1.910  -1.024
  125    HE2  TYR  18           2HE      TYR  18  -3.589  -2.269  -0.269
  126    HH   TYR  18           HH       TYR  18  -5.845  -0.367  -0.779
  127    H    CYS  19           H        CYS  19   1.375   3.497   0.414
  128    HA   CYS  19           HA       CYS  19   3.670   3.383   2.209
  129    HB2  CYS  19           2HB      CYS  19   2.465   5.764   0.779
  130    HB3  CYS  19           1HB      CYS  19   4.009   5.727   1.621
  131    H    CYS  20           H        CYS  20   2.590   2.834   4.118
  132    HA   CYS  20           HA       CYS  20   0.372   4.382   5.079
  133    HB2  CYS  20           2HB      CYS  20   2.054   2.346   6.558
  134    HB3  CYS  20           1HB      CYS  20   0.472   2.948   7.041
  135    H    GLN  21           H        GLN  21   0.714   6.405   5.685
  136    HA   GLN  21           HA       GLN  21   3.216   7.311   6.752
  137    HB2  GLN  21           2HB      GLN  21   0.591   8.806   6.723
  138    HB3  GLN  21           1HB      GLN  21   2.208   9.490   6.825
  139    HG2  GLN  21           2HG      GLN  21   1.333   7.888   4.449
  140    HG3  GLN  21           1HG      GLN  21   0.984   9.609   4.585
  141   HE21  GLN  21          1HE2      GLN  21   2.860   7.756   2.951
  142   HE22  GLN  21          2HE2      GLN  21   4.355   8.629   2.957
  143    H    SER  22           H        SER  22   3.072   5.621   8.507
  144    HA   SER  22           HA       SER  22   2.899   5.051  10.693
  145    HB2  SER  22           2HB      SER  22   2.440   7.933  11.390
  146    HB3  SER  22           1HB      SER  22   3.415   6.728  12.229
  147    HG   SER  22           HG       SER  22   5.004   7.645  11.197
  148    H    MET  23           H        MET  23   0.934   7.762  11.569
  149    HA   MET  23           HA       MET  23  -1.552   6.286  11.367
  150    HB2  MET  23           2HB      MET  23  -0.105   6.747  13.939
  151    HB3  MET  23           1HB      MET  23  -1.854   6.922  13.938
  152    HG2  MET  23           2HG      MET  23  -2.215   4.709  13.691
  153    HG3  MET  23           1HG      MET  23  -0.790   4.480  12.679
  154    HE1  MET  23           3HE      MET  23  -1.149   2.129  14.543
  155    HE2  MET  23           1HE      MET  23   0.284   2.466  13.570
  156    HE3  MET  23           2HE      MET  23   0.455   2.042  15.273
  157    H    SER  24           H        SER  24  -3.332   7.650  11.375
  158    HA   SER  24           HA       SER  24  -2.722  10.487  11.198
  159    HB2  SER  24           2HB      SER  24  -5.478  10.052  10.790
  160    HB3  SER  24           1HB      SER  24  -4.246  10.345   9.562
  161    HG   SER  24           HG       SER  24  -4.547   8.365   8.951
  162    H    GLY  25           H        GLY  25  -3.012   8.772  13.750
  163    HA2  GLY  25           1HA      GLY  25  -3.480   9.990  15.854
  164    HA3  GLY  25           2HA      GLY  25  -4.991  10.504  15.106
  165    H    SER  26           H        SER  26  -5.788   8.155  13.922
  166    HA   SER  26           HA       SER  26  -6.604   6.566  16.197
  167    HB2  SER  26           2HB      SER  26  -7.347   5.659  13.491
  168    HB3  SER  26           1HB      SER  26  -8.370   5.969  14.895
  169    HG   SER  26           HG       SER  26  -7.762   7.593  12.771
  170    H    ALA  27           H        ALA  27  -6.775   4.026  15.325
  171    HA   ALA  27           HA       ALA  27  -4.021   3.160  15.252
  172    HB1  ALA  27           1HB      ALA  27  -4.857   0.962  15.583
  173    HB2  ALA  27           2HB      ALA  27  -5.846   2.034  16.576
  174    HB3  ALA  27           3HB      ALA  27  -6.472   1.424  15.044
  175    H    SER  28           H        SER  28  -6.483   3.808  12.995
  176    HA   SER  28           HA       SER  28  -5.570   2.119  10.888
  177    HB2  SER  28           2HB      SER  28  -7.049   4.652  10.329
  178    HB3  SER  28           1HB      SER  28  -7.286   3.038   9.653
  179    HG   SER  28           HG       SER  28  -8.038   2.468  11.850
  180    H    LEU  29           H        LEU  29  -3.934   2.425   9.537
  181    HA   LEU  29           HA       LEU  29  -2.319   4.826   9.843
  182    HB2  LEU  29           2HB      LEU  29  -1.355   2.916   7.884
  183    HB3  LEU  29           1HB      LEU  29  -0.573   3.532   9.328
  184    HG   LEU  29           HG       LEU  29  -2.620   1.634  10.051
  185   HD11  LEU  29          1HD1      LEU  29  -2.160  -0.210   8.840
  186   HD12  LEU  29          2HD1      LEU  29  -1.725   0.981   7.612
  187   HD13  LEU  29          3HD1      LEU  29  -0.469   0.232   8.600
  188   HD21  LEU  29          3HD2      LEU  29   0.372   1.411  10.303
  189   HD22  LEU  29          1HD2      LEU  29  -0.615   2.421  11.359
  190   HD23  LEU  29          2HD2      LEU  29  -0.863   0.675  11.325
  191    H    GLY  30           H        GLY  30  -1.734   6.180   8.140
  192    HA2  GLY  30           1HA      GLY  30  -3.725   6.419   6.070
  193    HA3  GLY  30           2HA      GLY  30  -2.372   7.508   6.345
  194    H    CYS  31           H        CYS  31  -3.220   4.324   5.081
  195    HA   CYS  31           HA       CYS  31  -0.726   4.128   3.628
  196    HB2  CYS  31           2HB      CYS  31  -3.107   2.269   3.540
  197    HB3  CYS  31           1HB      CYS  31  -1.463   1.919   3.014
  198    H    VAL  32           H        VAL  32  -0.742   5.660   2.027
  199    HA   VAL  32           HA       VAL  32  -2.881   5.595   0.044
  200    HB   VAL  32           HB       VAL  32  -1.298   7.213  -1.186
  201   HG11  VAL  32          1HG1      VAL  32  -2.980   7.642   1.162
  202   HG12  VAL  32          2HG1      VAL  32  -1.840   8.950   0.849
  203   HG13  VAL  32          3HG1      VAL  32  -2.982   8.456  -0.402
  204   HG21  VAL  32          3HG2      VAL  32   0.470   6.441   0.788
  205   HG22  VAL  32          1HG2      VAL  32   0.656   7.818  -0.297
  206   HG23  VAL  32          2HG2      VAL  32  -0.052   8.045   1.303
  207    H    VAL  33           H        VAL  33  -2.513   4.938  -2.153
  208    HA   VAL  33           HA       VAL  33  -0.979   2.617  -2.475
  209    HB   VAL  33           HB       VAL  33  -2.044   4.515  -4.577
  210   HG11  VAL  33          1HG1      VAL  33  -1.322   1.697  -5.233
  211   HG12  VAL  33          2HG1      VAL  33  -1.374   3.121  -6.272
  212   HG13  VAL  33          3HG1      VAL  33  -0.028   2.894  -5.156
  213   HG21  VAL  33          3HG2      VAL  33  -3.350   2.050  -4.676
  214   HG22  VAL  33          1HG2      VAL  33  -3.216   2.441  -2.961
  215   HG23  VAL  33          2HG2      VAL  33  -3.990   3.576  -4.067
  216    H    GLY  34           H        GLY  34   1.093   2.263  -2.900
  217    HA2  GLY  34           1HA      GLY  34   3.097   4.117  -2.625
  218    HA3  GLY  34           2HA      GLY  34   3.281   2.610  -3.510
  219    H    VAL  35           H        VAL  35   3.891   5.714  -3.800
  220    HA   VAL  35           HA       VAL  35   2.713   6.280  -6.358
  221    HB   VAL  35           HB       VAL  35   4.885   8.041  -5.953
  222   HG11  VAL  35          1HG1      VAL  35   3.291   9.602  -6.270
  223   HG12  VAL  35          2HG1      VAL  35   2.290   8.206  -6.673
  224   HG13  VAL  35          3HG1      VAL  35   2.218   8.906  -5.055
  225   HG21  VAL  35          3HG2      VAL  35   4.146   6.934  -3.468
  226   HG22  VAL  35          1HG2      VAL  35   5.196   8.319  -3.771
  227   HG23  VAL  35          2HG2      VAL  35   3.467   8.560  -3.524
  228    H    ILE  36           H        ILE  36   3.406   5.449  -8.168
  229    HA   ILE  36           HA       ILE  36   5.598   3.716  -8.291
  230    HB   ILE  36           HB       ILE  36   4.231   4.987 -10.660
  231   HG12  ILE  36          2HG1      ILE  36   2.410   4.112  -9.471
  232   HG13  ILE  36          1HG1      ILE  36   2.847   2.801 -10.558
  233   HG21  ILE  36          1HG2      ILE  36   4.904   2.251 -11.029
  234   HG22  ILE  36          2HG2      ILE  36   5.515   3.668 -11.884
  235   HG23  ILE  36          3HG2      ILE  36   6.325   3.103 -10.422
  236   HD11  ILE  36          3HD1      ILE  36   2.788   1.509  -8.756
  237   HD12  ILE  36          1HD1      ILE  36   4.329   2.250  -8.318
  238   HD13  ILE  36          2HD1      ILE  36   2.822   2.891  -7.660
  239    H    GLY  37           H        GLY  37   7.629   4.329  -8.116
  240    HA2  GLY  37           1HA      GLY  37   9.607   5.119  -9.136
  241    HA3  GLY  37           2HA      GLY  37   8.648   6.258 -10.071
  242    H    SER  38           H        SER  38   7.684   6.223  -6.865
  243    HA   SER  38           HA       SER  38   9.295   8.626  -6.329
  244    HB2  SER  38           2HB      SER  38   6.539   7.861  -5.349
  245    HB3  SER  38           1HB      SER  38   7.429   9.281  -4.802
  246    HG   SER  38           HG       SER  38   7.132  10.246  -6.693
  247    H    GLN  39           H        GLN  39  10.124   8.942  -4.261
  248    HA   GLN  39           HA       GLN  39  10.658   6.508  -2.767
  249    HB2  GLN  39           2HB      GLN  39  11.626   9.354  -2.544
  250    HB3  GLN  39           1HB      GLN  39  12.010   8.142  -1.330
  251    HG2  GLN  39           2HG      GLN  39  13.635   7.295  -2.575
  252    HG3  GLN  39           1HG      GLN  39  12.578   7.165  -3.980
  253   HE21  GLN  39          1HE2      GLN  39  15.142   7.739  -4.420
  254   HE22  GLN  39          2HE2      GLN  39  15.334   9.396  -4.889
  255    H    CYS  40           H        CYS  40   9.235   5.849  -1.295
  256    HA   CYS  40           HA       CYS  40   7.467   7.800  -0.030
  257    HB2  CYS  40           2HB      CYS  40   7.379   4.886  -0.530
  258    HB3  CYS  40           1HB      CYS  40   6.670   5.418   0.992
  259    H    GLY  41           H        GLY  41   7.846   8.570   1.933
  260    HA2  GLY  41           1HA      GLY  41  10.087   7.448   3.440
  261    HA3  GLY  41           2HA      GLY  41   9.342   9.018   3.702
  262    H    ALA  42           H        ALA  42   7.908   5.785   3.516
  263    HA   ALA  42           HA       ALA  42   7.232   5.926   6.350
  264    HB1  ALA  42           1HB      ALA  42   5.010   6.088   6.085
  265    HB2  ALA  42           2HB      ALA  42   5.389   6.695   4.473
  266    HB3  ALA  42           3HB      ALA  42   5.004   4.989   4.705
  267    H    SER  43           H        SER  43   5.894   3.717   6.783
  268    HA   SER  43           HA       SER  43   7.708   1.618   6.143
  269    HB2  SER  43           2HB      SER  43   5.068   0.826   7.161
  270    HB3  SER  43           1HB      SER  43   6.672   0.517   7.826
  271    HG   SER  43           HG       SER  43   6.630   2.783   8.517
  272    H    VAL  44           H        VAL  44   7.702   0.311   4.429
  273    HA   VAL  44           HA       VAL  44   5.654   0.597   2.413
  274    HB   VAL  44           HB       VAL  44   7.937  -1.383   2.411
  275   HG11  VAL  44          1HG1      VAL  44   6.749  -0.069   0.001
  276   HG12  VAL  44          2HG1      VAL  44   7.593  -1.613   0.138
  277   HG13  VAL  44          3HG1      VAL  44   5.945  -1.452   0.745
  278   HG21  VAL  44          3HG2      VAL  44   8.942   0.754   2.781
  279   HG22  VAL  44          1HG2      VAL  44   9.172   0.342   1.082
  280   HG23  VAL  44          2HG2      VAL  44   7.932   1.507   1.549
  281    H    LYS  45           H        LYS  45   3.759  -0.304   3.023
  282    HA   LYS  45           HA       LYS  45   3.826  -3.005   4.182
  283    HB2  LYS  45           2HB      LYS  45   1.686  -0.875   4.293
  284    HB3  LYS  45           1HB      LYS  45   1.524  -2.486   4.974
  285    HG2  LYS  45           2HG      LYS  45   3.709  -0.599   5.793
  286    HG3  LYS  45           1HG      LYS  45   2.130  -0.633   6.580
  287    HD2  LYS  45           2HD      LYS  45   2.948  -2.231   7.901
  288    HD3  LYS  45           1HD      LYS  45   2.913  -3.293   6.494
  289    HE2  LYS  45           2HE      LYS  45   5.183  -2.757   5.951
  290    HE3  LYS  45           1HE      LYS  45   5.233  -1.508   7.194
  291    HZ1  LYS  45           3HZ      LYS  45   6.285  -3.749   7.717
  292    HZ2  LYS  45           1HZ      LYS  45   4.701  -4.335   7.881
  293    HZ3  LYS  45           2HZ      LYS  45   5.256  -3.081   8.884
  294    H    CYS  46           H        CYS  46   3.236  -4.629   2.956
  295    HA   CYS  46           HA       CYS  46   1.733  -4.201   0.508
  296    HB2  CYS  46           2HB      CYS  46   2.894  -6.703   1.760
  297    HB3  CYS  46           1HB      CYS  46   2.046  -6.665   0.218
  298    H    CYS  47           H        CYS  47  -0.289  -3.587   1.229
  299    HA   CYS  47           HA       CYS  47  -1.682  -5.486   2.993
  300    HB2  CYS  47           2HB      CYS  47  -2.379  -2.585   2.516
  301    HB3  CYS  47           1HB      CYS  47  -3.079  -3.661   3.721
  302    H    LYS  48           H        LYS  48  -4.068  -5.502   2.699
  303    HA   LYS  48           HA       LYS  48  -4.758  -5.533  -0.157
  304    HB2  LYS  48           2HB      LYS  48  -4.884  -7.711   0.973
  305    HB3  LYS  48           1HB      LYS  48  -5.958  -7.033   2.186
  306    HG2  LYS  48           2HG      LYS  48  -7.428  -8.124   0.800
  307    HG3  LYS  48           1HG      LYS  48  -7.483  -6.482   0.159
  308    HD2  LYS  48           2HD      LYS  48  -5.381  -8.056  -1.066
  309    HD3  LYS  48           1HD      LYS  48  -6.970  -8.800  -1.268
  310    HE2  LYS  48           2HE      LYS  48  -7.771  -6.488  -1.980
  311    HE3  LYS  48           1HE      LYS  48  -6.068  -6.062  -2.115
  312    HZ1  LYS  48           3HZ      LYS  48  -7.305  -8.354  -3.543
  313    HZ2  LYS  48           1HZ      LYS  48  -5.754  -7.708  -3.776
  314    HZ3  LYS  48           2HZ      LYS  48  -7.120  -6.807  -4.222
  315    H    ASP  49           H        ASP  49  -6.550  -4.405  -0.852
  316    HA   ASP  49           HA       ASP  49  -7.674  -2.481   1.010
  317    HB2  ASP  49           2HB      ASP  49  -8.827  -1.579  -1.022
  318    HB3  ASP  49           1HB      ASP  49  -7.072  -1.612  -1.156
  319    H    ASP  50           H        ASP  50  -8.468  -4.713   2.010
  320    HA   ASP  50           HA       ASP  50 -11.231  -5.087   1.064
  321    HB2  ASP  50           2HB      ASP  50  -9.322  -7.017   0.842
  322    HB3  ASP  50           1HB      ASP  50  -9.996  -7.392   2.425
  323    H    VAL  51           H        VAL  51 -11.218  -3.266   2.771
  324    HA   VAL  51           HA       VAL  51 -11.644  -4.490   5.424
  325    HB   VAL  51           HB       VAL  51 -11.573  -1.935   6.114
  326   HG11  VAL  51          1HG1      VAL  51  -8.907  -2.341   6.110
  327   HG12  VAL  51          2HG1      VAL  51 -10.019  -3.094   7.254
  328   HG13  VAL  51          3HG1      VAL  51  -9.482  -3.985   5.829
  329   HG21  VAL  51          3HG2      VAL  51 -10.387  -0.491   4.796
  330   HG22  VAL  51          1HG2      VAL  51  -9.486  -1.781   3.998
  331   HG23  VAL  51          2HG2      VAL  51 -11.162  -1.465   3.546
  332    H    THR  52           H        THR  52 -13.326  -3.998   2.884
  333    HA   THR  52           HA       THR  52 -15.455  -3.499   2.320
  334    HB   THR  52           HB       THR  52 -16.302  -3.181   5.165
  335    HG1  THR  52           1HG      THR  52 -14.865  -5.302   4.214
  336   HG21  THR  52          3HG2      THR  52 -17.937  -3.104   3.319
  337   HG22  THR  52          1HG2      THR  52 -18.219  -4.469   4.398
  338   HG23  THR  52          2HG2      THR  52 -17.446  -4.728   2.836
  339    H    ASN  53           H        ASN  53 -13.650  -1.396   2.389
  340    HA   ASN  53           HA       ASN  53 -15.473   0.818   2.422
  341    HB2  ASN  53           2HB      ASN  53 -14.380   0.435   4.844
  342    HB3  ASN  53           1HB      ASN  53 -13.090   1.381   4.104
  343   HD21  ASN  53          1HD2      ASN  53 -15.723   1.622   5.968
  344   HD22  ASN  53          2HD2      ASN  53 -16.217   3.239   5.585
  345    H    THR  54           H        THR  54 -14.903   2.250   0.890
  346    HA   THR  54           HA       THR  54 -12.349   1.899  -0.455
  347    HB   THR  54           HB       THR  54 -13.912   4.061  -1.525
  348    HG1  THR  54           1HG      THR  54 -15.563   2.053  -2.033
  349   HG21  THR  54          3HG2      THR  54 -12.320   2.704  -2.789
  350   HG22  THR  54          1HG2      THR  54 -13.923   2.631  -3.519
  351   HG23  THR  54          2HG2      THR  54 -13.331   1.280  -2.553
  352    H    GLY  55           H        GLY  55 -13.901   4.062   1.750
  353    HA2  GLY  55           1HA      GLY  55 -13.121   5.905   2.870
  354    HA3  GLY  55           2HA      GLY  55 -11.524   5.535   2.233
  355    H    ASN  56           H        ASN  56 -11.073   7.715   1.839
  356    HA   ASN  56           HA       ASN  56 -11.978   8.588  -0.761
  357    HB2  ASN  56           2HB      ASN  56 -13.333   9.597   1.491
  358    HB3  ASN  56           1HB      ASN  56 -12.236  10.878   0.989
  359   HD21  ASN  56          1HD2      ASN  56 -15.254   9.848   0.685
  360   HD22  ASN  56          2HD2      ASN  56 -15.638  10.419  -0.906
  361    H    SER  57           H        SER  57 -10.517  10.104   2.104
  362    HA   SER  57           HA       SER  57  -8.363  11.165   0.505
  363    HB2  SER  57           2HB      SER  57  -7.870  11.519   3.283
  364    HB3  SER  57           1HB      SER  57  -8.426  12.721   2.119
  365    HG   SER  57           HG       SER  57  -9.768  11.709   4.151
  366    H    GLY  58           H        GLY  58  -7.844   8.803  -0.055
  367    HA2  GLY  58           1HA      GLY  58  -5.909   7.445   0.017
  368    HA3  GLY  58           2HA      GLY  58  -5.647   7.941   1.685
  369    H    LEU  59           H        LEU  59  -5.320   5.592   1.999
  370    HA   LEU  59           HA       LEU  59  -7.915   4.278   2.449
  371    HB2  LEU  59           2HB      LEU  59  -5.696   3.376   0.894
  372    HB3  LEU  59           1HB      LEU  59  -5.856   2.325   2.289
  373    HG   LEU  59           HG       LEU  59  -8.448   2.736   1.142
  374   HD11  LEU  59          1HD1      LEU  59  -8.117   1.760  -1.048
  375   HD12  LEU  59          2HD1      LEU  59  -7.200   3.261  -0.913
  376   HD13  LEU  59          3HD1      LEU  59  -6.372   1.709  -0.788
  377   HD21  LEU  59          3HD2      LEU  59  -8.624   0.527   1.557
  378   HD22  LEU  59          1HD2      LEU  59  -7.073   0.155   0.801
  379   HD23  LEU  59          2HD2      LEU  59  -7.124   0.777   2.450
  380    H    ILE  60           H        ILE  60  -8.294   4.313   4.558
  381    HA   ILE  60           HA       ILE  60  -6.090   4.360   6.442
  382    HB   ILE  60           HB       ILE  60  -8.375   4.230   7.970
  383   HG12  ILE  60          2HG1      ILE  60  -9.387   6.339   6.370
  384   HG13  ILE  60          1HG1      ILE  60  -9.176   4.954   5.305
  385   HG21  ILE  60          1HG2      ILE  60  -7.272   5.978   8.762
  386   HG22  ILE  60          2HG2      ILE  60  -6.342   6.105   7.270
  387   HG23  ILE  60          3HG2      ILE  60  -7.882   6.949   7.422
  388   HD11  ILE  60          3HD1      ILE  60 -10.567   3.599   6.731
  389   HD12  ILE  60          1HD1      ILE  60 -10.702   4.915   7.897
  390   HD13  ILE  60          2HD1      ILE  60 -11.416   5.081   6.295
  391    H    ILE  61           H        ILE  61  -5.363   2.208   5.941
  392    HA   ILE  61           HA       ILE  61  -7.008  -0.051   6.609
  393    HB   ILE  61           HB       ILE  61  -4.052   0.206   6.036
  394   HG12  ILE  61          2HG1      ILE  61  -5.941  -1.376   4.365
  395   HG13  ILE  61          1HG1      ILE  61  -6.067   0.379   4.289
  396   HG21  ILE  61          1HG2      ILE  61  -5.069  -1.798   7.562
  397   HG22  ILE  61          2HG2      ILE  61  -5.229  -2.484   5.945
  398   HG23  ILE  61          3HG2      ILE  61  -3.652  -1.950   6.526
  399   HD11  ILE  61          3HD1      ILE  61  -4.036  -1.416   3.203
  400   HD12  ILE  61          1HD1      ILE  61  -4.531   0.197   2.685
  401   HD13  ILE  61          2HD1      ILE  61  -3.390   0.010   4.016
  402    H    ASN  62           H        ASN  62  -7.234  -1.006   8.555
  403    HA   ASN  62           HA       ASN  62  -6.071   0.319  10.843
  404    HB2  ASN  62           2HB      ASN  62  -8.498  -0.808  10.449
  405    HB3  ASN  62           1HB      ASN  62  -7.675  -2.134  11.263
  406   HD21  ASN  62          1HD2      ASN  62  -8.088  -2.154  13.341
  407   HD22  ASN  62          2HD2      ASN  62  -8.255  -0.766  14.365
  408    H    ALA  63           H        ALA  63  -4.132  -0.923   9.330
  409    HA   ALA  63           HA       ALA  63  -2.176  -2.009   9.651
  410    HB1  ALA  63           1HB      ALA  63  -1.522  -1.786  11.753
  411    HB2  ALA  63           2HB      ALA  63  -3.196  -1.732  12.306
  412    HB3  ALA  63           3HB      ALA  63  -2.369  -3.282  12.153
  413    H    ALA  64           H        ALA  64  -4.822  -3.989  11.005
  414    HA   ALA  64           HA       ALA  64  -3.446  -6.422  10.324
  415    HB1  ALA  64           1HB      ALA  64  -5.858  -7.304  11.056
  416    HB2  ALA  64           2HB      ALA  64  -4.617  -6.819  12.212
  417    HB3  ALA  64           3HB      ALA  64  -5.909  -5.697  11.782
  418    H    ASN  65           H        ASN  65  -3.557  -5.352   7.956
  419    HA   ASN  65           HA       ASN  65  -5.305  -7.217   6.565
  420    HB2  ASN  65           2HB      ASN  65  -6.095  -4.552   6.731
  421    HB3  ASN  65           1HB      ASN  65  -5.316  -4.664   5.153
  422   HD21  ASN  65          1HD2      ASN  65  -7.832  -6.036   7.191
  423   HD22  ASN  65          2HD2      ASN  65  -8.802  -6.640   5.893
  424    H    CYS  66           H        CYS  66  -2.453  -6.808   7.150
  425    HA   CYS  66           HA       CYS  66  -1.474  -6.968   4.393
  426    HB2  CYS  66           2HB      CYS  66   0.368  -5.769   6.385
  427    HB3  CYS  66           1HB      CYS  66   0.193  -5.425   4.669
  428    H    VAL  67           H        VAL  67   0.939  -7.842   4.542
  429    HA   VAL  67           HA       VAL  67   0.824 -10.381   5.795
  430    HB   VAL  67           HB       VAL  67   3.530  -9.890   5.294
  431   HG11  VAL  67          1HG1      VAL  67   1.331 -11.432   4.129
  432   HG12  VAL  67          2HG1      VAL  67   2.659 -11.098   3.020
  433   HG13  VAL  67          3HG1      VAL  67   2.973 -11.924   4.545
  434   HG21  VAL  67          3HG2      VAL  67   1.978  -8.813   2.956
  435   HG22  VAL  67          1HG2      VAL  67   2.675  -7.756   4.185
  436   HG23  VAL  67          2HG2      VAL  67   3.721  -8.801   3.223
  437    H    ALA  68           H        ALA  68   2.995  -7.627   6.425
  438    HA   ALA  68           HA       ALA  68   2.718  -7.762   9.238
  439    HB1  ALA  68           1HB      ALA  68   4.070  -9.683   9.270
  440    HB2  ALA  68           2HB      ALA  68   5.140  -9.059   8.014
  441    HB3  ALA  68           3HB      ALA  68   5.178  -8.360   9.633
  Start of MODEL   19
    1    H1   SER   1           1H       SER   1  15.580   7.845   6.187
    2    H2   SER   1           2H       SER   1  15.617   6.194   6.566
    3    H3   SER   1           3H       SER   1  14.211   6.881   5.923
    4    HA   SER   1           HA       SER   1  16.540   7.266   4.300
    5    HB2  SER   1           2HB      SER   1  15.550   4.557   3.892
    6    HB3  SER   1           1HB      SER   1  17.214   5.130   4.041
    7    HG   SER   1           HG       SER   1  17.229   4.583   6.081
    8    H    ALA   2           H        ALA   2  15.903   6.705   2.002
    9    HA   ALA   2           HA       ALA   2  13.029   7.260   1.654
   10    HB1  ALA   2           1HB      ALA   2  14.350   9.076   0.821
   11    HB2  ALA   2           2HB      ALA   2  15.381   7.974  -0.090
   12    HB3  ALA   2           3HB      ALA   2  13.698   8.198  -0.563
   13    H    THR   3           H        THR   3  11.897   5.572   0.994
   14    HA   THR   3           HA       THR   3  13.233   3.426  -0.474
   15    HB   THR   3           HB       THR   3  10.372   3.181   0.303
   16    HG1  THR   3           1HG      THR   3  12.548   3.377   2.130
   17   HG21  THR   3          3HG2      THR   3  12.781   1.438   0.055
   18   HG22  THR   3          1HG2      THR   3  11.159   1.217  -0.599
   19   HG23  THR   3          2HG2      THR   3  11.463   0.932   1.114
   20    H    THR   4           H        THR   4  12.918   3.079  -2.578
   21    HA   THR   4           HA       THR   4  11.119   4.827  -4.047
   22    HB   THR   4           HB       THR   4  12.548   2.779  -5.576
   23    HG1  THR   4           1HG      THR   4  14.136   2.991  -4.003
   24   HG21  THR   4          3HG2      THR   4  11.744   4.546  -6.843
   25   HG22  THR   4          1HG2      THR   4  13.436   4.993  -6.624
   26   HG23  THR   4          2HG2      THR   4  12.188   5.752  -5.634
   27    H    ILE   5           H        ILE   5   9.148   4.225  -4.686
   28    HA   ILE   5           HA       ILE   5   8.315   1.494  -4.073
   29    HB   ILE   5           HB       ILE   5   6.540   3.812  -4.832
   30   HG12  ILE   5          2HG1      ILE   5   7.477   2.932  -2.091
   31   HG13  ILE   5          1HG1      ILE   5   7.837   4.463  -2.881
   32   HG21  ILE   5          1HG2      ILE   5   4.993   2.348  -3.297
   33   HG22  ILE   5          2HG2      ILE   5   5.221   1.941  -4.998
   34   HG23  ILE   5          3HG2      ILE   5   6.113   1.063  -3.755
   35   HD11  ILE   5          3HD1      ILE   5   6.144   4.796  -1.220
   36   HD12  ILE   5          1HD1      ILE   5   5.434   5.011  -2.822
   37   HD13  ILE   5          2HD1      ILE   5   5.149   3.519  -1.922
   38    H    GLY   6           H        GLY   6   7.494   0.082  -5.502
   39    HA2  GLY   6           1HA      GLY   6   6.657   0.934  -8.145
   40    HA3  GLY   6           2HA      GLY   6   8.043  -0.152  -8.104
   41    HA   PRO   7           HA       PRO   7   3.862  -2.434  -7.439
   42    HB2  PRO   7           2HB      PRO   7   3.102  -3.047  -9.964
   43    HB3  PRO   7           1HB      PRO   7   2.592  -1.561  -9.150
   44    HG2  PRO   7           2HG      PRO   7   4.795  -1.973 -11.138
   45    HG3  PRO   7           1HG      PRO   7   3.593  -0.670 -11.059
   46    HD2  PRO   7           2HD      PRO   7   6.133  -0.372 -10.157
   47    HD3  PRO   7           1HD      PRO   7   4.750   0.471  -9.426
   48    H    ASN   8           H        ASN   8   6.537  -3.267  -7.307
   49    HA   ASN   8           HA       ASN   8   6.287  -5.960  -8.448
   50    HB2  ASN   8           2HB      ASN   8   7.916  -4.355  -9.708
   51    HB3  ASN   8           1HB      ASN   8   8.976  -4.623  -8.328
   52   HD21  ASN   8          1HD2      ASN   8  10.529  -5.796  -9.252
   53   HD22  ASN   8          2HD2      ASN   8  10.285  -7.349  -9.978
   54    H    THR   9           H        THR   9   6.536  -4.114  -5.753
   55    HA   THR   9           HA       THR   9   8.341  -5.653  -4.174
   56    HB   THR   9           HB       THR   9   6.158  -4.309  -2.740
   57    HG1  THR   9           1HG      THR   9   7.782  -2.884  -4.617
   58   HG21  THR   9          3HG2      THR   9   9.099  -4.562  -2.647
   59   HG22  THR   9          1HG2      THR   9   7.919  -4.557  -1.335
   60   HG23  THR   9          2HG2      THR   9   8.443  -3.035  -2.056
   61    H    CYS  10           H        CYS  10   4.798  -5.473  -4.295
   62    HA   CYS  10           HA       CYS  10   4.698  -8.255  -3.345
   63    HB2  CYS  10           2HB      CYS  10   2.263  -6.670  -2.959
   64    HB3  CYS  10           1HB      CYS  10   3.101  -7.733  -1.829
   65    H    SER  11           H        SER  11   3.313  -9.650  -4.446
   66    HA   SER  11           HA       SER  11   1.680  -8.751  -6.619
   67    HB2  SER  11           2HB      SER  11   4.330 -10.078  -7.252
   68    HB3  SER  11           1HB      SER  11   3.024  -9.843  -8.410
   69    HG   SER  11           HG       SER  11   3.553  -7.514  -7.201
   70    H    ILE  12           H        ILE  12   2.093 -10.713  -4.217
   71    HA   ILE  12           HA       ILE  12   1.615 -13.292  -5.400
   72    HB   ILE  12           HB       ILE  12   0.813 -12.959  -2.595
   73   HG12  ILE  12          2HG1      ILE  12   3.703 -12.971  -2.634
   74   HG13  ILE  12          1HG1      ILE  12   3.088 -11.511  -3.403
   75   HG21  ILE  12          1HG2      ILE  12   2.723 -14.762  -4.059
   76   HG22  ILE  12          2HG2      ILE  12   2.335 -14.903  -2.344
   77   HG23  ILE  12          3HG2      ILE  12   1.073 -15.130  -3.555
   78   HD11  ILE  12          3HD1      ILE  12   2.433 -10.636  -1.468
   79   HD12  ILE  12          1HD1      ILE  12   1.743 -12.158  -0.902
   80   HD13  ILE  12          2HD1      ILE  12   3.473 -11.854  -0.729
   81    H    ASP  13           H        ASP  13  -0.366 -11.992  -2.824
   82    HA   ASP  13           HA       ASP  13  -2.782 -12.628  -4.264
   83    HB2  ASP  13           2HB      ASP  13  -2.271 -12.786  -1.679
   84    HB3  ASP  13           1HB      ASP  13  -2.755 -11.094  -1.690
   85    H    ASP  14           H        ASP  14  -4.324 -10.393  -3.151
   86    HA   ASP  14           HA       ASP  14  -3.599  -8.363  -5.093
   87    HB2  ASP  14           2HB      ASP  14  -5.997  -9.047  -4.645
   88    HB3  ASP  14           1HB      ASP  14  -5.858  -8.255  -3.078
   89    H    TYR  15           H        TYR  15  -1.604  -8.640  -3.369
   90    HA   TYR  15           HA       TYR  15  -1.805  -6.467  -1.422
   91    HB2  TYR  15           2HB      TYR  15   0.273  -8.580  -1.954
   92    HB3  TYR  15           1HB      TYR  15   0.594  -7.204  -0.912
   93    HD1  TYR  15           2HD      TYR  15  -1.672  -6.861   0.746
   94    HD2  TYR  15           1HD      TYR  15  -0.033 -10.492  -0.749
   95    HE1  TYR  15           2HE      TYR  15  -2.646  -8.078   2.648
   96    HE2  TYR  15           1HE      TYR  15  -1.000 -11.716   1.144
   97    HH   TYR  15           HH       TYR  15  -2.932 -10.046   3.633
   98    H    LYS  16           H        LYS  16  -1.508  -4.535  -2.276
   99    HA   LYS  16           HA       LYS  16   0.528  -4.205  -4.369
  100    HB2  LYS  16           2HB      LYS  16  -1.614  -2.205  -3.646
  101    HB3  LYS  16           1HB      LYS  16  -0.649  -2.278  -5.116
  102    HG2  LYS  16           2HG      LYS  16  -1.792  -4.320  -5.782
  103    HG3  LYS  16           1HG      LYS  16  -2.740  -4.286  -4.294
  104    HD2  LYS  16           2HD      LYS  16  -2.772  -1.929  -6.131
  105    HD3  LYS  16           1HD      LYS  16  -3.751  -3.347  -6.509
  106    HE2  LYS  16           2HE      LYS  16  -3.910  -2.341  -3.739
  107    HE3  LYS  16           1HE      LYS  16  -4.614  -1.312  -4.986
  108    HZ1  LYS  16           3HZ      LYS  16  -6.175  -2.898  -5.536
  109    HZ2  LYS  16           1HZ      LYS  16  -6.062  -3.091  -3.852
  110    HZ3  LYS  16           2HZ      LYS  16  -5.280  -4.184  -4.889
  111    HA   PRO  17           HA       PRO  17   3.109  -1.902  -1.624
  112    HB2  PRO  17           2HB      PRO  17   3.888   0.211  -3.190
  113    HB3  PRO  17           1HB      PRO  17   4.571  -1.413  -3.318
  114    HG2  PRO  17           2HG      PRO  17   2.424  -0.126  -4.963
  115    HG3  PRO  17           1HG      PRO  17   3.796  -1.117  -5.496
  116    HD2  PRO  17           2HD      PRO  17   1.330  -2.148  -5.296
  117    HD3  PRO  17           1HD      PRO  17   2.762  -3.104  -4.862
  118    H    TYR  18           H        TYR  18   2.271  -0.852   0.033
  119    HA   TYR  18           HA       TYR  18   0.633   1.538  -0.495
  120    HB2  TYR  18           2HB      TYR  18   0.200  -0.791   1.312
  121    HB3  TYR  18           1HB      TYR  18  -0.318   0.794   1.884
  122    HD1  TYR  18           2HD      TYR  18  -1.949   2.109   0.456
  123    HD2  TYR  18           1HD      TYR  18  -1.082  -1.992  -0.250
  124    HE1  TYR  18           2HE      TYR  18  -3.997   1.916  -0.879
  125    HE2  TYR  18           1HE      TYR  18  -3.125  -2.199  -1.597
  126    HH   TYR  18           HH       TYR  18  -5.244  -1.122  -1.953
  127    H    CYS  19           H        CYS  19   1.463   3.335   0.276
  128    HA   CYS  19           HA       CYS  19   3.665   3.221   2.183
  129    HB2  CYS  19           2HB      CYS  19   3.559   4.722   0.058
  130    HB3  CYS  19           1HB      CYS  19   2.524   5.760   1.035
  131    H    CYS  20           H        CYS  20   2.955   2.905   4.190
  132    HA   CYS  20           HA       CYS  20   0.589   4.365   5.114
  133    HB2  CYS  20           2HB      CYS  20   1.154   1.729   5.317
  134    HB3  CYS  20           1HB      CYS  20   1.812   2.305   6.846
  135    H    GLN  21           H        GLN  21   0.676   5.797   6.751
  136    HA   GLN  21           HA       GLN  21   3.358   6.439   7.773
  137    HB2  GLN  21           2HB      GLN  21   1.073   8.375   7.855
  138    HB3  GLN  21           1HB      GLN  21   2.800   8.696   7.791
  139    HG2  GLN  21           2HG      GLN  21   2.854   8.659   5.551
  140    HG3  GLN  21           1HG      GLN  21   1.726   7.309   5.444
  141   HE21  GLN  21          1HE2      GLN  21  -0.407   7.706   5.092
  142   HE22  GLN  21          2HE2      GLN  21  -1.065   9.290   4.868
  143    H    SER  22           H        SER  22   2.405   8.216   9.797
  144    HA   SER  22           HA       SER  22   2.119   6.423  11.937
  145    HB2  SER  22           2HB      SER  22   1.187   9.068  12.606
  146    HB3  SER  22           1HB      SER  22   2.676   8.256  13.095
  147    HG   SER  22           HG       SER  22   2.230  10.093  11.067
  148    H    MET  23           H        MET  23   0.388   5.900  13.236
  149    HA   MET  23           HA       MET  23  -2.205   5.963  11.991
  150    HB2  MET  23           2HB      MET  23  -2.913   4.691  14.030
  151    HB3  MET  23           1HB      MET  23  -1.594   3.944  13.140
  152    HG2  MET  23           2HG      MET  23  -1.077   5.709  15.504
  153    HG3  MET  23           1HG      MET  23  -1.462   3.999  15.690
  154    HE1  MET  23           3HE      MET  23   1.293   5.160  16.851
  155    HE2  MET  23           1HE      MET  23   0.707   3.498  16.948
  156    HE3  MET  23           2HE      MET  23   2.337   3.829  16.357
  157    H    SER  24           H        SER  24  -4.105   6.841  12.936
  158    HA   SER  24           HA       SER  24  -3.777   9.483  13.873
  159    HB2  SER  24           2HB      SER  24  -6.427   8.716  14.370
  160    HB3  SER  24           1HB      SER  24  -5.811   9.507  12.917
  161    HG   SER  24           HG       SER  24  -6.963   7.433  12.627
  162    H    GLY  25           H        GLY  25  -4.327   6.440  15.420
  163    HA2  GLY  25           1HA      GLY  25  -3.416   7.082  17.918
  164    HA3  GLY  25           2HA      GLY  25  -5.137   7.465  17.961
  165    H    SER  26           H        SER  26  -6.417   5.638  16.692
  166    HA   SER  26           HA       SER  26  -6.056   3.203  18.156
  167    HB2  SER  26           2HB      SER  26  -7.839   3.160  15.809
  168    HB3  SER  26           1HB      SER  26  -8.178   2.751  17.493
  169    HG   SER  26           HG       SER  26  -8.745   5.014  16.165
  170    H    ALA  27           H        ALA  27  -6.399   1.105  16.627
  171    HA   ALA  27           HA       ALA  27  -3.885   0.869  15.248
  172    HB1  ALA  27           1HB      ALA  27  -5.952  -0.963  16.264
  173    HB2  ALA  27           2HB      ALA  27  -5.064  -1.523  14.847
  174    HB3  ALA  27           3HB      ALA  27  -4.193  -1.088  16.319
  175    H    SER  28           H        SER  28  -5.166   2.679  13.811
  176    HA   SER  28           HA       SER  28  -5.679   1.264  11.301
  177    HB2  SER  28           2HB      SER  28  -7.312   3.695  12.000
  178    HB3  SER  28           1HB      SER  28  -7.633   2.460  10.781
  179    HG   SER  28           HG       SER  28  -8.008   0.980  12.512
  180    H    LEU  29           H        LEU  29  -4.599   2.133   9.628
  181    HA   LEU  29           HA       LEU  29  -3.301   4.734  10.072
  182    HB2  LEU  29           2HB      LEU  29  -1.618   3.033   8.508
  183    HB3  LEU  29           1HB      LEU  29  -1.271   3.828  10.031
  184    HG   LEU  29           HG       LEU  29  -2.771   1.684  10.848
  185   HD11  LEU  29          1HD1      LEU  29  -1.874   1.083   8.203
  186   HD12  LEU  29          2HD1      LEU  29  -1.038   0.039   9.355
  187   HD13  LEU  29          3HD1      LEU  29  -2.801   0.079   9.319
  188   HD21  LEU  29          3HD2      LEU  29   0.161   1.305  10.549
  189   HD22  LEU  29          1HD2      LEU  29  -0.411   2.692  11.479
  190   HD23  LEU  29          2HD2      LEU  29  -0.878   1.059  11.953
  191    H    GLY  30           H        GLY  30  -2.396   5.664   8.025
  192    HA2  GLY  30           1HA      GLY  30  -4.386   5.218   5.901
  193    HA3  GLY  30           2HA      GLY  30  -3.540   6.730   6.196
  194    H    CYS  31           H        CYS  31  -3.027   3.381   5.181
  195    HA   CYS  31           HA       CYS  31  -0.576   4.033   3.831
  196    HB2  CYS  31           2HB      CYS  31  -1.973   1.515   3.163
  197    HB3  CYS  31           1HB      CYS  31  -0.291   1.788   3.600
  198    H    VAL  32           H        VAL  32  -0.690   5.274   2.074
  199    HA   VAL  32           HA       VAL  32  -2.950   5.000   0.246
  200    HB   VAL  32           HB       VAL  32  -1.857   6.912  -0.977
  201   HG11  VAL  32          1HG1      VAL  32  -2.944   8.426   0.318
  202   HG12  VAL  32          2HG1      VAL  32  -3.534   6.960   1.103
  203   HG13  VAL  32          3HG1      VAL  32  -2.188   7.857   1.809
  204   HG21  VAL  32          3HG2      VAL  32  -0.222   8.153   0.715
  205   HG22  VAL  32          1HG2      VAL  32   0.142   6.489   1.173
  206   HG23  VAL  32          2HG2      VAL  32   0.368   7.011  -0.496
  207    H    VAL  33           H        VAL  33  -2.489   4.864  -2.112
  208    HA   VAL  33           HA       VAL  33  -0.965   2.566  -2.672
  209    HB   VAL  33           HB       VAL  33  -1.953   4.632  -4.650
  210   HG11  VAL  33          1HG1      VAL  33  -1.386   3.235  -6.334
  211   HG12  VAL  33          2HG1      VAL  33  -0.218   2.626  -5.162
  212   HG13  VAL  33          3HG1      VAL  33  -1.749   1.787  -5.395
  213   HG21  VAL  33          3HG2      VAL  33  -3.761   3.780  -3.241
  214   HG22  VAL  33          1HG2      VAL  33  -3.915   3.199  -4.899
  215   HG23  VAL  33          2HG2      VAL  33  -3.298   2.126  -3.641
  216    H    GLY  34           H        GLY  34   1.081   2.279  -3.213
  217    HA2  GLY  34           1HA      GLY  34   2.997   4.286  -2.866
  218    HA3  GLY  34           2HA      GLY  34   3.288   2.720  -3.603
  219    H    VAL  35           H        VAL  35   3.959   5.698  -4.171
  220    HA   VAL  35           HA       VAL  35   2.899   6.092  -6.812
  221    HB   VAL  35           HB       VAL  35   5.202   7.716  -6.427
  222   HG11  VAL  35          1HG1      VAL  35   3.784   9.181  -7.307
  223   HG12  VAL  35          2HG1      VAL  35   2.535   7.938  -7.234
  224   HG13  VAL  35          3HG1      VAL  35   2.726   9.078  -5.900
  225   HG21  VAL  35          3HG2      VAL  35   3.771   8.768  -4.281
  226   HG22  VAL  35          1HG2      VAL  35   3.912   7.045  -3.933
  227   HG23  VAL  35          2HG2      VAL  35   5.360   8.010  -4.226
  228    H    ILE  36           H        ILE  36   3.620   5.119  -8.540
  229    HA   ILE  36           HA       ILE  36   5.822   3.336  -8.448
  230    HB   ILE  36           HB       ILE  36   4.245   4.317 -10.836
  231   HG12  ILE  36          2HG1      ILE  36   3.910   1.658  -9.478
  232   HG13  ILE  36          1HG1      ILE  36   3.094   3.085  -8.845
  233   HG21  ILE  36          1HG2      ILE  36   5.418   2.962 -12.171
  234   HG22  ILE  36          2HG2      ILE  36   6.623   2.941 -10.885
  235   HG23  ILE  36          3HG2      ILE  36   5.422   1.655 -10.988
  236   HD11  ILE  36          3HD1      ILE  36   2.795   1.959 -11.619
  237   HD12  ILE  36          1HD1      ILE  36   1.635   1.810 -10.299
  238   HD13  ILE  36          2HD1      ILE  36   1.981   3.393 -10.996
  239    H    GLY  37           H        GLY  37   7.884   3.785  -8.661
  240    HA2  GLY  37           1HA      GLY  37   9.818   4.648  -9.603
  241    HA3  GLY  37           2HA      GLY  37   8.828   5.635 -10.669
  242    H    SER  38           H        SER  38   8.050   5.810  -7.347
  243    HA   SER  38           HA       SER  38   9.598   8.300  -7.083
  244    HB2  SER  38           2HB      SER  38   6.942   8.118  -5.756
  245    HB3  SER  38           1HB      SER  38   7.759   9.518  -6.455
  246    HG   SER  38           HG       SER  38   7.080   7.564  -8.268
  247    H    GLN  39           H        GLN  39   9.940   8.973  -4.834
  248    HA   GLN  39           HA       GLN  39  10.406   6.634  -3.144
  249    HB2  GLN  39           2HB      GLN  39  11.575   9.397  -3.244
  250    HB3  GLN  39           1HB      GLN  39  11.742   8.413  -1.797
  251    HG2  GLN  39           2HG      GLN  39  13.176   6.951  -2.783
  252    HG3  GLN  39           1HG      GLN  39  12.491   7.189  -4.392
  253   HE21  GLN  39          1HE2      GLN  39  15.288   7.248  -3.414
  254   HE22  GLN  39          2HE2      GLN  39  15.909   8.785  -3.936
  255    H    CYS  40           H        CYS  40   9.811   6.577  -0.974
  256    HA   CYS  40           HA       CYS  40   7.725   8.505  -0.187
  257    HB2  CYS  40           2HB      CYS  40   7.434   5.747  -0.581
  258    HB3  CYS  40           1HB      CYS  40   7.534   5.944   1.164
  259    H    GLY  41           H        GLY  41   7.529   8.875   2.135
  260    HA2  GLY  41           1HA      GLY  41  10.110   8.444   3.516
  261    HA3  GLY  41           2HA      GLY  41   9.084   9.853   3.756
  262    H    ALA  42           H        ALA  42   7.418   6.908   3.417
  263    HA   ALA  42           HA       ALA  42   7.149   6.661   6.334
  264    HB1  ALA  42           1HB      ALA  42   4.955   6.324   4.291
  265    HB2  ALA  42           2HB      ALA  42   4.791   6.148   6.038
  266    HB3  ALA  42           3HB      ALA  42   5.169   7.724   5.340
  267    H    SER  43           H        SER  43   5.429   4.406   6.223
  268    HA   SER  43           HA       SER  43   7.435   2.388   5.622
  269    HB2  SER  43           2HB      SER  43   4.738   1.921   6.897
  270    HB3  SER  43           1HB      SER  43   6.198   0.940   7.042
  271    HG   SER  43           HG       SER  43   7.163   2.666   8.189
  272    H    VAL  44           H        VAL  44   7.454   1.751   3.566
  273    HA   VAL  44           HA       VAL  44   5.018   1.417   2.043
  274    HB   VAL  44           HB       VAL  44   7.742   0.453   1.198
  275   HG11  VAL  44          1HG1      VAL  44   5.193   0.492  -0.007
  276   HG12  VAL  44          2HG1      VAL  44   6.179   1.686  -0.851
  277   HG13  VAL  44          3HG1      VAL  44   6.730   0.018  -0.728
  278   HG21  VAL  44          3HG2      VAL  44   8.495   2.552   1.407
  279   HG22  VAL  44          1HG2      VAL  44   7.466   2.920   0.024
  280   HG23  VAL  44          2HG2      VAL  44   6.873   3.202   1.660
  281    H    LYS  45           H        LYS  45   3.777  -0.281   2.455
  282    HA   LYS  45           HA       LYS  45   5.051  -2.902   2.873
  283    HB2  LYS  45           2HB      LYS  45   2.623  -1.896   4.363
  284    HB3  LYS  45           1HB      LYS  45   3.415  -3.449   4.580
  285    HG2  LYS  45           2HG      LYS  45   5.437  -1.616   5.008
  286    HG3  LYS  45           1HG      LYS  45   4.018  -0.874   5.753
  287    HD2  LYS  45           2HD      LYS  45   4.255  -3.722   6.323
  288    HD3  LYS  45           1HD      LYS  45   5.636  -2.785   6.900
  289    HE2  LYS  45           2HE      LYS  45   3.805  -1.182   7.815
  290    HE3  LYS  45           1HE      LYS  45   2.755  -2.585   7.661
  291    HZ1  LYS  45           3HZ      LYS  45   4.751  -3.717   8.935
  292    HZ2  LYS  45           1HZ      LYS  45   3.507  -2.910   9.762
  293    HZ3  LYS  45           2HZ      LYS  45   4.987  -2.130   9.492
  294    H    CYS  46           H        CYS  46   3.171  -4.609   2.857
  295    HA   CYS  46           HA       CYS  46   1.503  -4.079   0.488
  296    HB2  CYS  46           2HB      CYS  46   2.070  -6.808   1.630
  297    HB3  CYS  46           1HB      CYS  46   1.574  -6.381  -0.005
  298    H    CYS  47           H        CYS  47  -0.461  -3.438   1.126
  299    HA   CYS  47           HA       CYS  47  -1.615  -4.729   3.509
  300    HB2  CYS  47           2HB      CYS  47  -2.060  -1.896   2.546
  301    HB3  CYS  47           1HB      CYS  47  -2.774  -2.629   3.981
  302    H    LYS  48           H        LYS  48  -3.816  -5.218   3.498
  303    HA   LYS  48           HA       LYS  48  -4.987  -5.427   0.847
  304    HB2  LYS  48           2HB      LYS  48  -5.205  -6.890   3.342
  305    HB3  LYS  48           1HB      LYS  48  -6.789  -6.476   2.701
  306    HG2  LYS  48           2HG      LYS  48  -4.677  -8.236   1.553
  307    HG3  LYS  48           1HG      LYS  48  -6.409  -8.515   1.727
  308    HD2  LYS  48           2HD      LYS  48  -5.272  -6.459  -0.160
  309    HD3  LYS  48           1HD      LYS  48  -5.551  -8.135  -0.636
  310    HE2  LYS  48           2HE      LYS  48  -7.907  -7.917  -0.122
  311    HE3  LYS  48           1HE      LYS  48  -7.654  -6.274   0.456
  312    HZ1  LYS  48           3HZ      LYS  48  -8.400  -6.914  -2.052
  313    HZ2  LYS  48           1HZ      LYS  48  -6.725  -6.731  -2.244
  314    HZ3  LYS  48           2HZ      LYS  48  -7.651  -5.458  -1.616
  315    H    ASP  49           H        ASP  49  -6.168  -3.852   0.125
  316    HA   ASP  49           HA       ASP  49  -7.245  -1.758   1.699
  317    HB2  ASP  49           2HB      ASP  49  -8.576  -1.452  -0.599
  318    HB3  ASP  49           1HB      ASP  49  -6.874  -1.024  -0.442
  319    H    ASP  50           H        ASP  50  -8.560  -4.704   0.357
  320    HA   ASP  50           HA       ASP  50 -11.287  -4.049   0.889
  321    HB2  ASP  50           2HB      ASP  50 -10.637  -5.547  -0.951
  322    HB3  ASP  50           1HB      ASP  50 -10.045  -6.721   0.220
  323    H    VAL  51           H        VAL  51 -10.429  -3.509   3.190
  324    HA   VAL  51           HA       VAL  51 -11.650  -5.627   4.818
  325    HB   VAL  51           HB       VAL  51 -10.264  -4.570   6.764
  326   HG11  VAL  51          1HG1      VAL  51  -9.573  -6.679   6.700
  327   HG12  VAL  51          2HG1      VAL  51  -9.765  -6.754   4.948
  328   HG13  VAL  51          3HG1      VAL  51  -8.264  -6.144   5.644
  329   HG21  VAL  51          3HG2      VAL  51  -8.592  -3.181   6.293
  330   HG22  VAL  51          1HG2      VAL  51  -7.948  -4.277   5.072
  331   HG23  VAL  51          2HG2      VAL  51  -9.196  -3.110   4.637
  332    H    THR  52           H        THR  52 -10.740  -2.207   4.598
  333    HA   THR  52           HA       THR  52 -13.159  -1.334   5.907
  334    HB   THR  52           HB       THR  52 -11.790   0.657   4.275
  335    HG1  THR  52           1HG      THR  52  -9.829   0.572   5.550
  336   HG21  THR  52          3HG2      THR  52 -11.607   1.779   6.499
  337   HG22  THR  52          1HG2      THR  52 -12.306   0.337   7.233
  338   HG23  THR  52          2HG2      THR  52 -13.249   1.288   6.085
  339    H    ASN  53           H        ASN  53 -11.872  -1.744   2.684
  340    HA   ASN  53           HA       ASN  53 -12.822  -1.978   0.652
  341    HB2  ASN  53           2HB      ASN  53 -14.605  -3.228   1.982
  342    HB3  ASN  53           1HB      ASN  53 -15.553  -1.745   1.910
  343   HD21  ASN  53          1HD2      ASN  53 -14.217  -4.402   0.076
  344   HD22  ASN  53          2HD2      ASN  53 -15.156  -4.126  -1.354
  345    H    THR  54           H        THR  54 -15.056   0.232   2.335
  346    HA   THR  54           HA       THR  54 -14.992   2.084   0.123
  347    HB   THR  54           HB       THR  54 -16.136   3.017   2.665
  348    HG1  THR  54           1HG      THR  54 -17.071   1.171   3.118
  349   HG21  THR  54          3HG2      THR  54 -17.456   2.587  -0.010
  350   HG22  THR  54          1HG2      THR  54 -16.488   4.013   0.369
  351   HG23  THR  54          2HG2      THR  54 -17.957   3.675   1.283
  352    H    GLY  55           H        GLY  55 -13.761   3.877  -0.047
  353    HA2  GLY  55           1HA      GLY  55 -11.879   4.394   2.163
  354    HA3  GLY  55           2HA      GLY  55 -11.577   4.755   0.470
  355    H    ASN  56           H        ASN  56 -10.977   6.801   1.818
  356    HA   ASN  56           HA       ASN  56 -13.152   8.683   1.362
  357    HB2  ASN  56           2HB      ASN  56 -12.607   7.797   3.961
  358    HB3  ASN  56           1HB      ASN  56 -11.798   9.357   3.846
  359   HD21  ASN  56          1HD2      ASN  56 -14.888   7.868   2.911
  360   HD22  ASN  56          2HD2      ASN  56 -15.870   9.199   3.419
  361    H    SER  57           H        SER  57 -10.972  10.237   3.259
  362    HA   SER  57           HA       SER  57  -9.554  11.366   1.025
  363    HB2  SER  57           2HB      SER  57  -8.366  12.250   3.409
  364    HB3  SER  57           1HB      SER  57  -9.606  13.089   2.476
  365    HG   SER  57           HG       SER  57  -9.844  12.216   4.905
  366    H    GLY  58           H        GLY  58  -8.902   8.897   0.756
  367    HA2  GLY  58           1HA      GLY  58  -6.561   8.113   0.417
  368    HA3  GLY  58           2HA      GLY  58  -6.317   8.474   2.123
  369    H    LEU  59           H        LEU  59  -5.643   6.050   1.691
  370    HA   LEU  59           HA       LEU  59  -7.973   4.309   2.012
  371    HB2  LEU  59           2HB      LEU  59  -5.155   3.883   1.141
  372    HB3  LEU  59           1HB      LEU  59  -6.000   2.547   1.894
  373    HG   LEU  59           HG       LEU  59  -6.411   2.116  -0.320
  374   HD11  LEU  59          1HD1      LEU  59  -8.684   4.028   0.109
  375   HD12  LEU  59          2HD1      LEU  59  -8.683   2.491  -0.756
  376   HD13  LEU  59          3HD1      LEU  59  -8.553   2.514   1.003
  377   HD21  LEU  59          3HD2      LEU  59  -6.352   5.089  -0.679
  378   HD22  LEU  59          1HD2      LEU  59  -5.356   3.850  -1.448
  379   HD23  LEU  59          2HD2      LEU  59  -7.046   4.043  -1.919
  380    H    ILE  60           H        ILE  60  -8.582   4.328   4.086
  381    HA   ILE  60           HA       ILE  60  -6.609   4.243   6.218
  382    HB   ILE  60           HB       ILE  60  -9.578   3.992   6.632
  383   HG12  ILE  60          2HG1      ILE  60  -8.848   6.693   7.000
  384   HG13  ILE  60          1HG1      ILE  60  -8.213   6.225   5.424
  385   HG21  ILE  60          1HG2      ILE  60  -8.814   5.422   8.676
  386   HG22  ILE  60          2HG2      ILE  60  -8.518   3.685   8.655
  387   HG23  ILE  60          3HG2      ILE  60  -7.215   4.804   8.264
  388   HD11  ILE  60          3HD1      ILE  60 -10.947   6.715   6.262
  389   HD12  ILE  60          1HD1      ILE  60 -10.239   6.686   4.645
  390   HD13  ILE  60          2HD1      ILE  60 -10.756   5.181   5.408
  391    H    ILE  61           H        ILE  61  -5.683   2.332   6.509
  392    HA   ILE  61           HA       ILE  61  -7.365  -0.084   6.359
  393    HB   ILE  61           HB       ILE  61  -4.384   0.174   5.890
  394   HG12  ILE  61          2HG1      ILE  61  -6.288  -0.826   3.829
  395   HG13  ILE  61          1HG1      ILE  61  -6.278   0.904   4.151
  396   HG21  ILE  61          1HG2      ILE  61  -5.786  -2.048   6.787
  397   HG22  ILE  61          2HG2      ILE  61  -5.611  -2.307   5.051
  398   HG23  ILE  61          3HG2      ILE  61  -4.183  -2.041   6.048
  399   HD11  ILE  61          3HD1      ILE  61  -3.965  -0.785   3.251
  400   HD12  ILE  61          1HD1      ILE  61  -4.826   0.436   2.317
  401   HD13  ILE  61          2HD1      ILE  61  -3.844   0.915   3.701
  402    H    ASN  62           H        ASN  62  -7.495  -1.374   8.084
  403    HA   ASN  62           HA       ASN  62  -6.568  -0.538  10.623
  404    HB2  ASN  62           2HB      ASN  62  -8.236  -2.637   9.535
  405    HB3  ASN  62           1HB      ASN  62  -7.175  -3.275  10.786
  406   HD21  ASN  62          1HD2      ASN  62  -9.451  -3.579  11.650
  407   HD22  ASN  62          2HD2      ASN  62 -10.068  -2.317  12.660
  408    H    ALA  63           H        ALA  63  -5.014  -1.495  11.980
  409    HA   ALA  63           HA       ALA  63  -2.633  -2.354  10.727
  410    HB1  ALA  63           1HB      ALA  63  -1.770  -1.734  12.681
  411    HB2  ALA  63           2HB      ALA  63  -3.402  -1.459  13.294
  412    HB3  ALA  63           3HB      ALA  63  -2.636  -3.034  13.503
  413    H    ALA  64           H        ALA  64  -1.509  -4.349  11.363
  414    HA   ALA  64           HA       ALA  64  -1.265  -6.601  11.430
  415    HB1  ALA  64           1HB      ALA  64  -3.040  -6.195  13.373
  416    HB2  ALA  64           2HB      ALA  64  -4.039  -7.162  12.291
  417    HB3  ALA  64           3HB      ALA  64  -2.509  -7.805  12.889
  418    H    ASN  65           H        ASN  65  -3.032  -5.026   9.291
  419    HA   ASN  65           HA       ASN  65  -3.660  -7.478   7.779
  420    HB2  ASN  65           2HB      ASN  65  -5.292  -5.200   8.272
  421    HB3  ASN  65           1HB      ASN  65  -4.873  -5.195   6.559
  422   HD21  ASN  65          1HD2      ASN  65  -6.931  -6.433   8.885
  423   HD22  ASN  65          2HD2      ASN  65  -7.626  -7.714   7.953
  424    H    CYS  66           H        CYS  66  -1.170  -5.839   8.137
  425    HA   CYS  66           HA       CYS  66  -0.625  -5.423   5.276
  426    HB2  CYS  66           2HB      CYS  66   0.473  -3.900   7.648
  427    HB3  CYS  66           1HB      CYS  66   1.132  -3.782   6.020
  428    H    VAL  67           H        VAL  67   1.180  -6.367   4.478
  429    HA   VAL  67           HA       VAL  67   3.017  -7.655   6.383
  430    HB   VAL  67           HB       VAL  67   3.268  -9.395   4.408
  431   HG11  VAL  67          1HG1      VAL  67   1.390  -9.301   6.698
  432   HG12  VAL  67          2HG1      VAL  67   1.204 -10.624   5.548
  433   HG13  VAL  67          3HG1      VAL  67   2.740 -10.389   6.383
  434   HG21  VAL  67          3HG2      VAL  67   1.649  -8.222   2.949
  435   HG22  VAL  67          1HG2      VAL  67   1.196  -9.895   3.275
  436   HG23  VAL  67          2HG2      VAL  67   0.380  -8.577   4.118
  437    H    ALA  68           H        ALA  68   5.092  -8.304   5.141
  438    HA   ALA  68           HA       ALA  68   5.650  -6.504   2.910
  439    HB1  ALA  68           1HB      ALA  68   7.464  -6.691   5.309
  440    HB2  ALA  68           2HB      ALA  68   7.679  -5.670   3.889
  441    HB3  ALA  68           3HB      ALA  68   6.348  -5.361   5.004
  Start of MODEL   20
    1    H1   SER   1           1H       SER   1  14.415   8.078   6.149
    2    H2   SER   1           2H       SER   1  14.643   8.873   4.669
    3    H3   SER   1           3H       SER   1  15.719   7.654   5.153
    4    HA   SER   1           HA       SER   1  14.476   6.067   4.308
    5    HB2  SER   1           2HB      SER   1  11.856   7.192   5.170
    6    HB3  SER   1           1HB      SER   1  12.454   5.535   5.268
    7    HG   SER   1           HG       SER   1  12.629   6.091   7.314
    8    H    ALA   2           H        ALA   2  14.169   5.928   2.193
    9    HA   ALA   2           HA       ALA   2  12.273   7.569   0.798
   10    HB1  ALA   2           1HB      ALA   2  14.857   8.617   1.061
   11    HB2  ALA   2           2HB      ALA   2  14.763   7.993  -0.585
   12    HB3  ALA   2           3HB      ALA   2  13.583   9.176  -0.022
   13    H    THR   3           H        THR   3  11.873   5.087   0.764
   14    HA   THR   3           HA       THR   3  13.479   3.603  -1.127
   15    HB   THR   3           HB       THR   3  10.831   2.518  -0.460
   16    HG1  THR   3           1HG      THR   3  12.659   3.337   1.556
   17   HG21  THR   3          3HG2      THR   3  11.946   0.542  -0.457
   18   HG22  THR   3          1HG2      THR   3  13.350   1.207   0.374
   19   HG23  THR   3          2HG2      THR   3  13.137   1.480  -1.356
   20    H    THR   4           H        THR   4  13.084   3.315  -3.266
   21    HA   THR   4           HA       THR   4  11.069   4.933  -4.516
   22    HB   THR   4           HB       THR   4  12.384   2.984  -6.248
   23    HG1  THR   4           1HG      THR   4  14.161   4.880  -5.146
   24   HG21  THR   4          3HG2      THR   4  11.232   5.186  -6.837
   25   HG22  THR   4          1HG2      THR   4  12.797   4.882  -7.592
   26   HG23  THR   4          2HG2      THR   4  12.681   5.982  -6.219
   27    H    ILE   5           H        ILE   5   9.084   4.343  -5.004
   28    HA   ILE   5           HA       ILE   5   8.278   1.607  -4.421
   29    HB   ILE   5           HB       ILE   5   6.430   3.883  -5.086
   30   HG12  ILE   5          2HG1      ILE   5   7.031   3.206  -2.249
   31   HG13  ILE   5          1HG1      ILE   5   8.206   4.187  -3.119
   32   HG21  ILE   5          1HG2      ILE   5   6.174   1.218  -3.761
   33   HG22  ILE   5          2HG2      ILE   5   5.031   2.512  -3.392
   34   HG23  ILE   5          3HG2      ILE   5   5.201   1.933  -5.050
   35   HD11  ILE   5          3HD1      ILE   5   6.795   5.971  -3.282
   36   HD12  ILE   5          1HD1      ILE   5   5.344   4.969  -3.235
   37   HD13  ILE   5          2HD1      ILE   5   6.251   5.277  -1.755
   38    H    GLY   6           H        GLY   6   7.183   0.278  -5.771
   39    HA2  GLY   6           1HA      GLY   6   6.296   1.211  -8.381
   40    HA3  GLY   6           2HA      GLY   6   7.483  -0.092  -8.370
   41    HA   PRO   7           HA       PRO   7   2.884  -1.515  -7.631
   42    HB2  PRO   7           2HB      PRO   7   2.654  -2.784 -10.089
   43    HB3  PRO   7           1HB      PRO   7   1.960  -1.211  -9.691
   44    HG2  PRO   7           2HG      PRO   7   4.496  -1.854 -11.130
   45    HG3  PRO   7           1HG      PRO   7   3.311  -0.575 -11.457
   46    HD2  PRO   7           2HD      PRO   7   5.626  -0.028 -10.237
   47    HD3  PRO   7           1HD      PRO   7   4.118   0.786  -9.752
   48    H    ASN   8           H        ASN   8   5.695  -2.910  -9.242
   49    HA   ASN   8           HA       ASN   8   5.088  -5.586  -8.351
   50    HB2  ASN   8           2HB      ASN   8   6.303  -5.171 -10.471
   51    HB3  ASN   8           1HB      ASN   8   7.643  -4.491  -9.553
   52   HD21  ASN   8          1HD2      ASN   8   9.264  -5.841  -9.439
   53   HD22  ASN   8          2HD2      ASN   8   9.157  -7.566  -9.250
   54    H    THR   9           H        THR   9   4.902  -4.409  -6.123
   55    HA   THR   9           HA       THR   9   7.473  -4.535  -4.724
   56    HB   THR   9           HB       THR   9   5.507  -3.892  -2.866
   57    HG1  THR   9           1HG      THR   9   5.046  -2.276  -5.154
   58   HG21  THR   9          3HG2      THR   9   6.472  -1.454  -3.757
   59   HG22  THR   9          1HG2      THR   9   7.742  -2.593  -4.205
   60   HG23  THR   9          2HG2      THR   9   7.210  -2.480  -2.526
   61    H    CYS  10           H        CYS  10   4.149  -5.756  -4.498
   62    HA   CYS  10           HA       CYS  10   5.208  -8.138  -3.142
   63    HB2  CYS  10           2HB      CYS  10   2.903  -6.399  -2.463
   64    HB3  CYS  10           1HB      CYS  10   2.659  -8.131  -2.276
   65    H    SER  11           H        SER  11   4.051 -10.117  -3.558
   66    HA   SER  11           HA       SER  11   2.352 -10.224  -5.904
   67    HB2  SER  11           2HB      SER  11   4.918 -11.789  -6.032
   68    HB3  SER  11           1HB      SER  11   3.823 -11.345  -7.341
   69    HG   SER  11           HG       SER  11   4.521  -9.079  -6.668
   70    H    ILE  12           H        ILE  12   2.632 -10.967  -2.988
   71    HA   ILE  12           HA       ILE  12   2.441 -13.838  -2.924
   72    HB   ILE  12           HB       ILE  12   1.248 -12.782  -0.600
   73   HG12  ILE  12          2HG1      ILE  12   3.702 -11.203  -1.408
   74   HG13  ILE  12          1HG1      ILE  12   2.076 -10.561  -1.210
   75   HG21  ILE  12          1HG2      ILE  12   4.096 -13.344  -0.400
   76   HG22  ILE  12          2HG2      ILE  12   2.720 -14.141   0.363
   77   HG23  ILE  12          3HG2      ILE  12   3.190 -14.576  -1.279
   78   HD11  ILE  12          3HD1      ILE  12   2.754 -10.008   0.834
   79   HD12  ILE  12          1HD1      ILE  12   2.539 -11.714   1.222
   80   HD13  ILE  12          2HD1      ILE  12   4.132 -11.103   0.777
   81    H    ASP  13           H        ASP  13   0.174 -11.500  -1.653
   82    HA   ASP  13           HA       ASP  13  -2.062 -12.872  -2.953
   83    HB2  ASP  13           2HB      ASP  13  -1.904 -12.219  -0.417
   84    HB3  ASP  13           1HB      ASP  13  -2.305 -10.609  -0.996
   85    H    ASP  14           H        ASP  14  -3.784 -10.556  -2.975
   86    HA   ASP  14           HA       ASP  14  -2.583  -9.023  -5.138
   87    HB2  ASP  14           2HB      ASP  14  -5.005  -9.744  -5.189
   88    HB3  ASP  14           1HB      ASP  14  -5.305  -8.604  -3.881
   89    H    TYR  15           H        TYR  15  -1.068  -8.696  -3.050
   90    HA   TYR  15           HA       TYR  15  -1.926  -6.446  -1.434
   91    HB2  TYR  15           2HB      TYR  15   0.427  -8.305  -1.443
   92    HB3  TYR  15           1HB      TYR  15   0.506  -6.800  -0.539
   93    HD1  TYR  15           2HD      TYR  15  -2.203  -6.563   0.525
   94    HD2  TYR  15           1HD      TYR  15   0.276  -9.994   0.149
   95    HE1  TYR  15           2HE      TYR  15  -3.394  -7.616   2.395
   96    HE2  TYR  15           1HE      TYR  15  -0.911 -11.063   2.021
   97    HH   TYR  15           HH       TYR  15  -3.579  -9.385   3.705
   98    H    LYS  16           H        LYS  16  -1.792  -4.489  -2.260
   99    HA   LYS  16           HA       LYS  16   0.217  -3.901  -4.302
  100    HB2  LYS  16           2HB      LYS  16  -1.254  -1.627  -4.145
  101    HB3  LYS  16           1HB      LYS  16  -1.642  -2.981  -5.197
  102    HG2  LYS  16           2HG      LYS  16  -2.925  -3.779  -2.996
  103    HG3  LYS  16           1HG      LYS  16  -2.986  -2.033  -2.747
  104    HD2  LYS  16           2HD      LYS  16  -4.937  -2.510  -3.936
  105    HD3  LYS  16           1HD      LYS  16  -3.822  -1.911  -5.167
  106    HE2  LYS  16           2HE      LYS  16  -3.580  -3.957  -6.142
  107    HE3  LYS  16           1HE      LYS  16  -3.867  -4.833  -4.640
  108    HZ1  LYS  16           3HZ      LYS  16  -5.828  -5.260  -5.631
  109    HZ2  LYS  16           1HZ      LYS  16  -5.762  -3.894  -6.632
  110    HZ3  LYS  16           2HZ      LYS  16  -6.256  -3.734  -5.020
  111    HA   PRO  17           HA       PRO  17   2.888  -1.510  -1.757
  112    HB2  PRO  17           2HB      PRO  17   3.327   0.687  -3.358
  113    HB3  PRO  17           1HB      PRO  17   4.136  -0.870  -3.553
  114    HG2  PRO  17           2HG      PRO  17   1.771   0.233  -5.014
  115    HG3  PRO  17           1HG      PRO  17   3.154  -0.679  -5.648
  116    HD2  PRO  17           2HD      PRO  17   0.785  -1.853  -5.238
  117    HD3  PRO  17           1HD      PRO  17   2.306  -2.717  -4.924
  118    H    TYR  18           H        TYR  18   2.434  -0.348  -0.031
  119    HA   TYR  18           HA       TYR  18   0.743   2.026  -0.305
  120    HB2  TYR  18           2HB      TYR  18   0.272  -0.351   1.440
  121    HB3  TYR  18           1HB      TYR  18  -0.173   1.242   2.045
  122    HD1  TYR  18           2HD      TYR  18  -1.633   2.687   0.422
  123    HD2  TYR  18           1HD      TYR  18  -1.242  -1.534   0.161
  124    HE1  TYR  18           2HE      TYR  18  -3.731   2.580  -0.849
  125    HE2  TYR  18           1HE      TYR  18  -3.334  -1.658  -1.115
  126    HH   TYR  18           HH       TYR  18  -4.677   0.701  -2.679
  127    H    CYS  19           H        CYS  19   1.522   3.739   0.720
  128    HA   CYS  19           HA       CYS  19   3.871   3.431   2.415
  129    HB2  CYS  19           2HB      CYS  19   2.527   5.750   1.058
  130    HB3  CYS  19           1HB      CYS  19   3.664   6.037   2.371
  131    H    CYS  20           H        CYS  20   2.959   2.529   4.257
  132    HA   CYS  20           HA       CYS  20   0.680   3.674   5.548
  133    HB2  CYS  20           2HB      CYS  20   2.668   1.569   6.415
  134    HB3  CYS  20           1HB      CYS  20   1.259   2.036   7.365
  135    H    GLN  21           H        GLN  21   1.069   5.761   6.092
  136    HA   GLN  21           HA       GLN  21   3.432   6.418   7.672
  137    HB2  GLN  21           2HB      GLN  21   1.782   7.838   5.840
  138    HB3  GLN  21           1HB      GLN  21   1.663   8.640   7.401
  139    HG2  GLN  21           2HG      GLN  21   3.804   9.334   7.368
  140    HG3  GLN  21           1HG      GLN  21   4.372   7.894   6.525
  141   HE21  GLN  21          1HE2      GLN  21   4.020  11.106   6.252
  142   HE22  GLN  21          2HE2      GLN  21   3.914  11.261   4.530
  143    H    SER  22           H        SER  22   2.581   4.995   9.391
  144    HA   SER  22           HA       SER  22   1.210   6.620  11.357
  145    HB2  SER  22           2HB      SER  22   0.213   3.811  10.893
  146    HB3  SER  22           1HB      SER  22  -0.533   5.093  11.844
  147    HG   SER  22           HG       SER  22  -0.474   6.171   9.573
  148    H    MET  23           H        MET  23   1.453   5.712  13.543
  149    HA   MET  23           HA       MET  23   4.046   4.475  13.820
  150    HB2  MET  23           2HB      MET  23   2.581   6.271  15.338
  151    HB3  MET  23           1HB      MET  23   2.509   4.788  16.280
  152    HG2  MET  23           2HG      MET  23   4.728   4.806  16.740
  153    HG3  MET  23           1HG      MET  23   5.151   5.601  15.225
  154    HE1  MET  23           3HE      MET  23   5.486   8.524  15.183
  155    HE2  MET  23           1HE      MET  23   3.896   7.890  14.754
  156    HE3  MET  23           2HE      MET  23   4.032   9.243  15.877
  157    H    SER  24           H        SER  24   4.335   2.649  15.378
  158    HA   SER  24           HA       SER  24   2.814   0.437  14.505
  159    HB2  SER  24           2HB      SER  24   4.432   0.181  16.980
  160    HB3  SER  24           1HB      SER  24   4.427  -0.816  15.523
  161    HG   SER  24           HG       SER  24   5.459   1.090  14.486
  162    H    GLY  25           H        GLY  25   2.806   2.354  17.480
  163    HA2  GLY  25           1HA      GLY  25   0.530   0.802  18.486
  164    HA3  GLY  25           2HA      GLY  25   1.411   2.045  19.367
  165    H    SER  26           H        SER  26  -0.630   1.681  16.474
  166    HA   SER  26           HA       SER  26  -2.092   4.075  17.283
  167    HB2  SER  26           2HB      SER  26  -0.815   3.708  14.559
  168    HB3  SER  26           1HB      SER  26  -1.947   4.995  14.978
  169    HG   SER  26           HG       SER  26   0.034   4.888  16.794
  170    H    ALA  27           H        ALA  27  -3.792   4.402  15.259
  171    HA   ALA  27           HA       ALA  27  -4.982   1.858  14.573
  172    HB1  ALA  27           1HB      ALA  27  -6.114   2.242  16.615
  173    HB2  ALA  27           2HB      ALA  27  -6.305   3.963  16.278
  174    HB3  ALA  27           3HB      ALA  27  -7.224   2.774  15.353
  175    H    SER  28           H        SER  28  -6.090   1.968  12.717
  176    HA   SER  28           HA       SER  28  -6.840   2.705  10.702
  177    HB2  SER  28           2HB      SER  28  -6.661   5.471  11.929
  178    HB3  SER  28           1HB      SER  28  -7.360   5.107  10.350
  179    HG   SER  28           HG       SER  28  -8.285   3.749  12.638
  180    H    LEU  29           H        LEU  29  -5.221   2.076   9.450
  181    HA   LEU  29           HA       LEU  29  -2.619   3.297   9.609
  182    HB2  LEU  29           2HB      LEU  29  -3.791   0.879   8.515
  183    HB3  LEU  29           1HB      LEU  29  -2.667   1.616   7.391
  184    HG   LEU  29           HG       LEU  29  -2.049   0.762  10.218
  185   HD11  LEU  29          1HD1      LEU  29  -2.074  -1.201   9.019
  186   HD12  LEU  29          2HD1      LEU  29  -1.554  -0.421   7.524
  187   HD13  LEU  29          3HD1      LEU  29  -0.397  -0.690   8.827
  188   HD21  LEU  29          3HD2      LEU  29  -0.771   2.725   9.702
  189   HD22  LEU  29          1HD2      LEU  29   0.289   1.318   9.597
  190   HD23  LEU  29          2HD2      LEU  29  -0.327   2.072   8.125
  191    H    GLY  30           H        GLY  30  -2.147   5.111   8.614
  192    HA2  GLY  30           1HA      GLY  30  -3.691   6.061   6.359
  193    HA3  GLY  30           2HA      GLY  30  -2.359   6.897   7.147
  194    H    CYS  31           H        CYS  31  -2.876   3.922   5.280
  195    HA   CYS  31           HA       CYS  31  -0.286   4.228   4.013
  196    HB2  CYS  31           2HB      CYS  31  -2.325   2.090   3.431
  197    HB3  CYS  31           1HB      CYS  31  -0.580   2.019   3.212
  198    H    VAL  32           H        VAL  32  -0.348   5.849   2.547
  199    HA   VAL  32           HA       VAL  32  -2.468   6.061   0.597
  200    HB   VAL  32           HB       VAL  32  -0.331   7.484  -0.441
  201   HG11  VAL  32          1HG1      VAL  32  -2.566   8.336   1.386
  202   HG12  VAL  32          2HG1      VAL  32  -1.529   9.468   0.520
  203   HG13  VAL  32          3HG1      VAL  32  -2.549   8.342  -0.376
  204   HG21  VAL  32          3HG2      VAL  32  -0.291   7.880   2.551
  205   HG22  VAL  32          1HG2      VAL  32   0.941   6.995   1.651
  206   HG23  VAL  32          2HG2      VAL  32   0.694   8.715   1.349
  207    H    VAL  33           H        VAL  33  -2.158   5.690  -1.704
  208    HA   VAL  33           HA       VAL  33  -0.988   3.202  -2.261
  209    HB   VAL  33           HB       VAL  33  -1.851   5.402  -4.144
  210   HG11  VAL  33          1HG1      VAL  33  -1.831   2.805  -5.366
  211   HG12  VAL  33          2HG1      VAL  33  -1.032   4.287  -5.890
  212   HG13  VAL  33          3HG1      VAL  33  -0.219   3.195  -4.768
  213   HG21  VAL  33          3HG2      VAL  33  -3.337   2.891  -4.101
  214   HG22  VAL  33          1HG2      VAL  33  -3.362   3.748  -2.558
  215   HG23  VAL  33          2HG2      VAL  33  -3.918   4.554  -4.025
  216    H    GLY  34           H        GLY  34   0.991   2.590  -2.912
  217    HA2  GLY  34           1HA      GLY  34   3.181   4.380  -2.708
  218    HA3  GLY  34           2HA      GLY  34   3.247   2.730  -3.317
  219    H    VAL  35           H        VAL  35   3.687   5.898  -4.121
  220    HA   VAL  35           HA       VAL  35   2.657   5.831  -6.798
  221    HB   VAL  35           HB       VAL  35   4.694   7.859  -6.040
  222   HG11  VAL  35          1HG1      VAL  35   2.087   7.840  -7.537
  223   HG12  VAL  35          2HG1      VAL  35   2.940   9.328  -7.129
  224   HG13  VAL  35          3HG1      VAL  35   3.710   8.127  -8.165
  225   HG21  VAL  35          3HG2      VAL  35   2.167   8.767  -5.091
  226   HG22  VAL  35          1HG2      VAL  35   2.561   7.248  -4.286
  227   HG23  VAL  35          2HG2      VAL  35   3.686   8.605  -4.208
  228    H    ILE  36           H        ILE  36   3.599   4.981  -8.468
  229    HA   ILE  36           HA       ILE  36   6.022   3.605  -8.408
  230    HB   ILE  36           HB       ILE  36   4.825   4.678 -10.952
  231   HG12  ILE  36          2HG1      ILE  36   3.785   2.088 -10.294
  232   HG13  ILE  36          1HG1      ILE  36   3.424   3.201  -8.979
  233   HG21  ILE  36          1HG2      ILE  36   6.997   3.330 -10.844
  234   HG22  ILE  36          2HG2      ILE  36   5.968   1.952 -10.458
  235   HG23  ILE  36          3HG2      ILE  36   5.760   2.805 -11.986
  236   HD11  ILE  36          3HD1      ILE  36   1.602   3.205 -10.516
  237   HD12  ILE  36          1HD1      ILE  36   2.441   4.751 -10.650
  238   HD13  ILE  36          2HD1      ILE  36   2.683   3.507 -11.876
  239    H    GLY  37           H        GLY  37   8.085   4.212  -8.686
  240    HA2  GLY  37           1HA      GLY  37   9.913   5.426  -9.404
  241    HA3  GLY  37           2HA      GLY  37   8.828   6.409 -10.378
  242    H    SER  38           H        SER  38   7.986   6.142  -7.088
  243    HA   SER  38           HA       SER  38   9.224   8.751  -6.529
  244    HB2  SER  38           2HB      SER  38   6.578   7.859  -5.383
  245    HB3  SER  38           1HB      SER  38   7.261   9.487  -5.423
  246    HG   SER  38           HG       SER  38   6.271   7.960  -7.601
  247    H    GLN  39           H        GLN  39   9.321   9.159  -4.078
  248    HA   GLN  39           HA       GLN  39  10.490   6.727  -2.921
  249    HB2  GLN  39           2HB      GLN  39  10.970   9.656  -2.383
  250    HB3  GLN  39           1HB      GLN  39  11.619   8.380  -1.363
  251    HG2  GLN  39           2HG      GLN  39  13.391   8.747  -2.742
  252    HG3  GLN  39           1HG      GLN  39  12.562   7.470  -3.631
  253   HE21  GLN  39          1HE2      GLN  39  13.552   8.163  -5.555
  254   HE22  GLN  39          2HE2      GLN  39  12.996   9.582  -6.391
  255    H    CYS  40           H        CYS  40   9.782   5.877  -1.077
  256    HA   CYS  40           HA       CYS  40   7.571   7.198   0.322
  257    HB2  CYS  40           2HB      CYS  40   7.467   4.757  -0.501
  258    HB3  CYS  40           1HB      CYS  40   8.564   4.396   0.826
  259    H    GLY  41           H        GLY  41   7.856   8.077   2.277
  260    HA2  GLY  41           1HA      GLY  41  10.527   7.845   3.468
  261    HA3  GLY  41           2HA      GLY  41   9.368   9.129   3.776
  262    H    ALA  42           H        ALA  42   7.627   6.355   3.828
  263    HA   ALA  42           HA       ALA  42   8.037   6.019   6.724
  264    HB1  ALA  42           1HB      ALA  42   5.990   7.136   6.528
  265    HB2  ALA  42           2HB      ALA  42   5.494   6.171   5.138
  266    HB3  ALA  42           3HB      ALA  42   5.554   5.441   6.743
  267    H    SER  43           H        SER  43   6.229   3.935   7.058
  268    HA   SER  43           HA       SER  43   7.781   1.698   6.247
  269    HB2  SER  43           2HB      SER  43   5.203   0.913   7.208
  270    HB3  SER  43           1HB      SER  43   6.754   0.839   8.049
  271    HG   SER  43           HG       SER  43   4.754   2.801   8.146
  272    H    VAL  44           H        VAL  44   7.772   1.216   4.112
  273    HA   VAL  44           HA       VAL  44   5.376   1.337   2.522
  274    HB   VAL  44           HB       VAL  44   7.601  -0.245   1.437
  275   HG11  VAL  44          1HG1      VAL  44   5.800   1.962   0.561
  276   HG12  VAL  44          2HG1      VAL  44   7.267   1.618  -0.358
  277   HG13  VAL  44          3HG1      VAL  44   6.047   0.363  -0.139
  278   HG21  VAL  44          3HG2      VAL  44   8.941   1.260   2.777
  279   HG22  VAL  44          1HG2      VAL  44   9.073   1.706   1.077
  280   HG23  VAL  44          2HG2      VAL  44   8.052   2.651   2.158
  281    H    LYS  45           H        LYS  45   3.838  -0.131   2.757
  282    HA   LYS  45           HA       LYS  45   4.629  -2.941   3.168
  283    HB2  LYS  45           2HB      LYS  45   2.198  -1.572   4.346
  284    HB3  LYS  45           1HB      LYS  45   2.654  -3.255   4.574
  285    HG2  LYS  45           2HG      LYS  45   4.690  -1.269   5.337
  286    HG3  LYS  45           1HG      LYS  45   3.222  -1.292   6.319
  287    HD2  LYS  45           2HD      LYS  45   3.877  -3.155   7.347
  288    HD3  LYS  45           1HD      LYS  45   4.121  -3.974   5.802
  289    HE2  LYS  45           2HE      LYS  45   6.354  -3.250   5.653
  290    HE3  LYS  45           1HE      LYS  45   6.130  -2.034   6.908
  291    HZ1  LYS  45           3HZ      LYS  45   5.622  -4.078   8.382
  292    HZ2  LYS  45           1HZ      LYS  45   7.237  -3.697   8.022
  293    HZ3  LYS  45           2HZ      LYS  45   6.455  -4.950   7.185
  294    H    CYS  46           H        CYS  46   2.722  -4.431   2.569
  295    HA   CYS  46           HA       CYS  46   1.345  -3.318   0.218
  296    HB2  CYS  46           2HB      CYS  46   1.720  -6.255   0.450
  297    HB3  CYS  46           1HB      CYS  46   1.710  -5.233  -0.979
  298    H    CYS  47           H        CYS  47  -0.781  -3.150   0.449
  299    HA   CYS  47           HA       CYS  47  -2.146  -5.015   2.281
  300    HB2  CYS  47           2HB      CYS  47  -3.270  -2.293   1.772
  301    HB3  CYS  47           1HB      CYS  47  -3.419  -3.321   3.195
  302    H    LYS  48           H        LYS  48  -4.596  -5.019   1.819
  303    HA   LYS  48           HA       LYS  48  -4.975  -5.187  -1.095
  304    HB2  LYS  48           2HB      LYS  48  -6.836  -6.871  -0.345
  305    HB3  LYS  48           1HB      LYS  48  -5.160  -7.392  -0.452
  306    HG2  LYS  48           2HG      LYS  48  -5.337  -8.111   1.632
  307    HG3  LYS  48           1HG      LYS  48  -5.446  -6.425   2.142
  308    HD2  LYS  48           2HD      LYS  48  -7.476  -6.892   2.920
  309    HD3  LYS  48           1HD      LYS  48  -8.001  -7.052   1.242
  310    HE2  LYS  48           2HE      LYS  48  -7.966  -9.330   1.303
  311    HE3  LYS  48           1HE      LYS  48  -6.668  -9.386   2.494
  312    HZ1  LYS  48           3HZ      LYS  48  -8.234  -9.814   3.988
  313    HZ2  LYS  48           1HZ      LYS  48  -9.487  -9.469   2.895
  314    HZ3  LYS  48           2HZ      LYS  48  -8.781  -8.222   3.800
  315    H    ASP  49           H        ASP  49  -7.091  -4.723  -1.914
  316    HA   ASP  49           HA       ASP  49  -8.446  -2.693  -0.284
  317    HB2  ASP  49           2HB      ASP  49  -9.457  -2.162  -2.678
  318    HB3  ASP  49           1HB      ASP  49  -7.893  -1.535  -2.179
  319    H    ASP  50           H        ASP  50  -9.279  -4.916   0.631
  320    HA   ASP  50           HA       ASP  50 -11.577  -5.911  -0.840
  321    HB2  ASP  50           2HB      ASP  50 -11.702  -7.629   0.721
  322    HB3  ASP  50           1HB      ASP  50  -9.976  -7.280   0.712
  323    H    VAL  51           H        VAL  51 -10.870  -3.429   1.315
  324    HA   VAL  51           HA       VAL  51 -13.412  -3.180   2.592
  325    HB   VAL  51           HB       VAL  51 -12.207  -0.613   2.382
  326   HG11  VAL  51          1HG1      VAL  51 -13.333  -1.032   4.335
  327   HG12  VAL  51          2HG1      VAL  51 -12.656  -2.652   4.506
  328   HG13  VAL  51          3HG1      VAL  51 -11.664  -1.240   4.869
  329   HG21  VAL  51          3HG2      VAL  51 -10.055  -1.133   1.949
  330   HG22  VAL  51          1HG2      VAL  51 -10.021  -1.565   3.659
  331   HG23  VAL  51          2HG2      VAL  51 -10.254  -2.816   2.437
  332    H    THR  52           H        THR  52 -15.166  -1.933   1.995
  333    HA   THR  52           HA       THR  52 -15.408  -1.520  -0.841
  334    HB   THR  52           HB       THR  52 -17.755  -0.586   0.167
  335    HG1  THR  52           1HG      THR  52 -16.945  -1.070   2.342
  336   HG21  THR  52          3HG2      THR  52 -18.426  -3.111   0.016
  337   HG22  THR  52          1HG2      THR  52 -16.774  -3.315  -0.564
  338   HG23  THR  52          2HG2      THR  52 -17.889  -2.258  -1.431
  339    H    ASN  53           H        ASN  53 -14.994   0.470   1.997
  340    HA   ASN  53           HA       ASN  53 -15.487   2.921   0.524
  341    HB2  ASN  53           2HB      ASN  53 -15.706   2.298   3.168
  342    HB3  ASN  53           1HB      ASN  53 -14.141   3.107   3.140
  343   HD21  ASN  53          1HD2      ASN  53 -14.565   5.031   4.004
  344   HD22  ASN  53          2HD2      ASN  53 -15.771   6.138   3.430
  345    H    THR  54           H        THR  54 -13.968   2.926  -1.097
  346    HA   THR  54           HA       THR  54 -11.261   2.259  -0.831
  347    HB   THR  54           HB       THR  54 -11.233   3.982  -2.926
  348    HG1  THR  54           1HG      THR  54 -13.440   3.497  -3.888
  349   HG21  THR  54          3HG2      THR  54 -12.558   1.326  -3.299
  350   HG22  THR  54          1HG2      THR  54 -10.900   1.398  -2.704
  351   HG23  THR  54          2HG2      THR  54 -11.304   2.098  -4.272
  352    H    GLY  55           H        GLY  55 -12.685   5.516  -1.169
  353    HA2  GLY  55           1HA      GLY  55 -12.047   7.379   0.186
  354    HA3  GLY  55           2HA      GLY  55 -10.528   6.563   0.537
  355    H    ASN  56           H        ASN  56 -10.244   5.817  -2.307
  356    HA   ASN  56           HA       ASN  56  -9.540   6.545  -4.329
  357    HB2  ASN  56           2HB      ASN  56 -10.824   9.085  -3.379
  358    HB3  ASN  56           1HB      ASN  56  -9.886   9.063  -4.868
  359   HD21  ASN  56          1HD2      ASN  56 -10.915   8.528  -6.672
  360   HD22  ASN  56          2HD2      ASN  56 -12.450   7.731  -6.751
  361    H    SER  57           H        SER  57  -8.726   8.999  -1.859
  362    HA   SER  57           HA       SER  57  -6.198   9.530  -3.124
  363    HB2  SER  57           2HB      SER  57  -6.270  10.518  -0.446
  364    HB3  SER  57           1HB      SER  57  -6.432  11.426  -1.950
  365    HG   SER  57           HG       SER  57  -8.566  11.401  -1.766
  366    H    GLY  58           H        GLY  58  -7.135   8.163   0.035
  367    HA2  GLY  58           1HA      GLY  58  -4.807   6.387  -0.138
  368    HA3  GLY  58           2HA      GLY  58  -4.986   7.403   1.287
  369    H    LEU  59           H        LEU  59  -5.083   4.421   0.847
  370    HA   LEU  59           HA       LEU  59  -7.819   3.819   1.643
  371    HB2  LEU  59           2HB      LEU  59  -6.568   2.429  -0.055
  372    HB3  LEU  59           1HB      LEU  59  -5.522   1.903   1.249
  373    HG   LEU  59           HG       LEU  59  -7.507   0.942   2.400
  374   HD11  LEU  59          1HD1      LEU  59  -9.416   1.959   1.687
  375   HD12  LEU  59          2HD1      LEU  59  -8.862   2.079   0.016
  376   HD13  LEU  59          3HD1      LEU  59  -9.436   0.536   0.644
  377   HD21  LEU  59          3HD2      LEU  59  -6.570  -0.831   1.417
  378   HD22  LEU  59          1HD2      LEU  59  -7.880  -0.703   0.241
  379   HD23  LEU  59          2HD2      LEU  59  -6.312   0.032  -0.098
  380    H    ILE  60           H        ILE  60  -8.258   4.110   3.720
  381    HA   ILE  60           HA       ILE  60  -6.190   3.974   5.730
  382    HB   ILE  60           HB       ILE  60  -9.162   4.265   6.189
  383   HG12  ILE  60          2HG1      ILE  60  -7.421   6.657   6.262
  384   HG13  ILE  60          1HG1      ILE  60  -7.720   5.986   4.662
  385   HG21  ILE  60          1HG2      ILE  60  -8.663   4.496   8.348
  386   HG22  ILE  60          2HG2      ILE  60  -7.047   3.913   7.952
  387   HG23  ILE  60          3HG2      ILE  60  -7.372   5.645   7.996
  388   HD11  ILE  60          3HD1      ILE  60  -9.993   6.405   4.775
  389   HD12  ILE  60          1HD1      ILE  60  -9.983   6.532   6.535
  390   HD13  ILE  60          2HD1      ILE  60  -9.280   7.818   5.553
  391    H    ILE  61           H        ILE  61  -5.470   1.943   5.958
  392    HA   ILE  61           HA       ILE  61  -7.179  -0.349   5.986
  393    HB   ILE  61           HB       ILE  61  -4.409  -0.376   7.132
  394   HG12  ILE  61          2HG1      ILE  61  -4.400   1.003   5.023
  395   HG13  ILE  61          1HG1      ILE  61  -3.398  -0.443   4.962
  396   HG21  ILE  61          1HG2      ILE  61  -5.984  -2.326   5.461
  397   HG22  ILE  61          2HG2      ILE  61  -4.336  -2.580   6.035
  398   HG23  ILE  61          3HG2      ILE  61  -5.662  -2.439   7.190
  399   HD11  ILE  61          3HD1      ILE  61  -5.336  -1.570   3.796
  400   HD12  ILE  61          1HD1      ILE  61  -6.048   0.036   3.641
  401   HD13  ILE  61          2HD1      ILE  61  -4.492  -0.314   2.890
  402    H    ASN  62           H        ASN  62  -7.629  -1.711   7.755
  403    HA   ASN  62           HA       ASN  62  -8.295  -0.397  10.159
  404    HB2  ASN  62           2HB      ASN  62  -9.524  -2.351   9.283
  405    HB3  ASN  62           1HB      ASN  62  -8.115  -3.363   9.584
  406   HD21  ASN  62          1HD2      ASN  62  -8.063  -4.402  11.425
  407   HD22  ASN  62          2HD2      ASN  62  -8.994  -4.031  12.838
  408    H    ALA  63           H        ALA  63  -6.124  -3.215   9.807
  409    HA   ALA  63           HA       ALA  63  -3.983  -1.897  11.181
  410    HB1  ALA  63           1HB      ALA  63  -3.973  -3.020  13.217
  411    HB2  ALA  63           2HB      ALA  63  -5.680  -2.643  12.983
  412    HB3  ALA  63           3HB      ALA  63  -5.081  -4.267  12.647
  413    H    ALA  64           H        ALA  64  -4.544  -5.319  11.589
  414    HA   ALA  64           HA       ALA  64  -2.004  -5.795  10.307
  415    HB1  ALA  64           1HB      ALA  64  -3.738  -7.956  11.435
  416    HB2  ALA  64           2HB      ALA  64  -1.979  -7.844  11.382
  417    HB3  ALA  64           3HB      ALA  64  -2.894  -6.832  12.500
  418    H    ASN  65           H        ASN  65  -2.821  -5.204   8.131
  419    HA   ASN  65           HA       ASN  65  -3.219  -7.707   6.738
  420    HB2  ASN  65           2HB      ASN  65  -5.479  -6.178   7.147
  421    HB3  ASN  65           1HB      ASN  65  -4.944  -5.655   5.551
  422   HD21  ASN  65          1HD2      ASN  65  -6.726  -7.902   7.214
  423   HD22  ASN  65          2HD2      ASN  65  -6.840  -9.123   5.986
  424    H    CYS  66           H        CYS  66  -1.241  -5.520   7.186
  425    HA   CYS  66           HA       CYS  66  -0.673  -4.967   4.347
  426    HB2  CYS  66           2HB      CYS  66  -0.127  -3.239   6.768
  427    HB3  CYS  66           1HB      CYS  66   0.584  -2.944   5.185
  428    H    VAL  67           H        VAL  67   0.570  -6.846   4.148
  429    HA   VAL  67           HA       VAL  67   2.684  -7.317   6.085
  430    HB   VAL  67           HB       VAL  67   3.117  -9.399   4.786
  431   HG11  VAL  67          1HG1      VAL  67   1.624  -9.372   6.734
  432   HG12  VAL  67          2HG1      VAL  67   0.258  -9.040   5.670
  433   HG13  VAL  67          3HG1      VAL  67   1.128 -10.569   5.536
  434   HG21  VAL  67          3HG2      VAL  67   2.032  -9.963   2.883
  435   HG22  VAL  67          1HG2      VAL  67   0.545  -9.143   3.360
  436   HG23  VAL  67          2HG2      VAL  67   1.898  -8.214   2.715
  437    H    ALA  68           H        ALA  68   4.733  -6.919   5.804
  438    HA   ALA  68           HA       ALA  68   6.230  -7.049   3.474
  439    HB1  ALA  68           1HB      ALA  68   5.594  -4.187   4.216
  440    HB2  ALA  68           2HB      ALA  68   6.689  -4.730   2.945
  441    HB3  ALA  68           3HB      ALA  68   4.956  -5.022   2.799