*HEADER    SPLICING                                17-NOV-16   5MF9              
*TITLE     SOLUTION STRUCTURE OF THE RBM5 OCRE DOMAIN IN COMPLEX WITH POLYPROLINE
*TITLE    2 SMN PEPTIDE.                                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RNA-BINDING PROTEIN 5;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 451-511;                                      
*COMPND   5 SYNONYM: PROTEIN G15,PUTATIVE TUMOR SUPPRESSOR LUCA15,RNA-BINDING    
*COMPND   6 MOTIF PROTEIN 5,RENAL CARCINOMA ANTIGEN NY-REN-9;                    
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MOL_ID: 2;                                                           
*COMPND   9 MOLECULE: SURVIVAL MOTOR NEURON PROTEIN;                             
*COMPND  10 CHAIN: B;                                                            
*COMPND  11 SYNONYM: COMPONENT OF GEMS 1,GEMIN-1;                                
*COMPND  12 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: RBM5, H37, LUCA15;                                             
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 MOL_ID: 2;                                                           
*SOURCE   9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE  10 ORGANISM_COMMON: HUMAN;                                              
*SOURCE  11 ORGANISM_TAXID: 9606;                                                
*SOURCE  12 GENE: SMN1, SMN, SMNT, SMN2, SMNC;                                   
*SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE  14 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    OCRE, POLY PROLINE BINDING DOMAIN, SMN, ALTERNATIVE SPLICING,         
*KEYWDS   2 SPLICING                                                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    A.MOURAO,M.SATTLER,S.BONNAL,S.KOMAL,L.WARNER,R.BORDONNE,J.VALCARCEL   
*REVDAT   1   07-DEC-16 5MF9    0                                                
# Restraints file 1: unambig.tbl
 ASSI {  658}
    (( segid "ocre" and resid 50   and name HA  ))
    (  segid "ocre" and resid 40   and name HD% )
       2.900     2.900     3.100 peak   658 spectrum    1 weight  0.11000E+01 volume  0.24919E-02 ppm1      5.742 ppm2      7.239 CV     1
  ASSI {  665}
    (( segid "ocre" and resid 50   and name HA  ))
    (  segid "ocre" and resid 50   and name HD% )
       3.200     1.300     1.300 peak   665 spectrum    1 weight  0.11000E+01 volume  0.14649E-02 ppm1      5.739 ppm2      7.004 CV     1
  ASSI {  677}
    (( segid "ocre" and resid 50   and name HA  ))
    (  segid "ocre" and resid 50   and name HE% )
       4.300     4.300     1.700 peak   677 spectrum    1 weight  0.11000E+01 volume  0.47908E-03 ppm1      5.744 ppm2      6.756 CV     1
  ASSI {  768}
    (( segid "ocre" and resid 50   and name HA  ))
    (( segid "ocre" and resid 39   and name HA  ))
       3.400     3.400     2.600 peak   768 spectrum    1 weight  0.11000E+01 volume  0.93690E-03 ppm1      5.739 ppm2      5.334 CV     1
  ASSI {  882}
    (( segid "ocre" and resid 50   and name HA  ))
    (( segid "ocre" and resid 50   and name HB1 ))
       2.700     0.900     0.900 peak   882 spectrum    1 weight  0.11000E+01 volume  0.38539E-02 ppm1      5.739 ppm2      3.303 CV     1
  ASSI {  886}
    (( segid "ocre" and resid 50   and name HA  ))
    (( segid "ocre" and resid 50   and name HB2 ))
       2.400     0.700     0.700 peak   886 spectrum    1 weight  0.11000E+01 volume  0.40101E-02 ppm1      5.739 ppm2      3.052 CV     1
  ASSI {  976}
    (( segid "ocre" and resid 32   and name HA  ))
    (  segid "ocre" and resid 32   and name HD% )
       3.200     3.200     2.800 peak   976 spectrum    1 weight  0.11000E+01 volume  0.12834E-02 ppm1      5.489 ppm2      7.285 CV     1
  ASSI {  980}
    (( segid "ocre" and resid 39   and name HA  ))
    (  segid "ocre" and resid 39   and name HD% )
       3.200     3.200     2.800 peak   980 spectrum    1 weight  0.11000E+01 volume  0.32685E-02 ppm1      5.330 ppm2      7.210 CV     1
  ASSI {  981}
    (( segid "ocre" and resid 39   and name HA  ))
    (  segid "ocre" and resid 50   and name HD% )
       4.000     4.000     2.000 peak   981 spectrum    1 weight  0.11000E+01 volume  0.37852E-03 ppm1      5.324 ppm2      7.001 CV     1
  ASSI {  982}
    (( segid "ocre" and resid 24   and name HA  ))
    (  segid "ocre" and resid 24   and name HE% )
       4.400     2.400     1.600 peak   982 spectrum    1 weight  0.11000E+01 volume  0.34760E-03 ppm1      5.272 ppm2      6.986 CV     1
  ASSI {  986}
    (( segid "ocre" and resid 49   and name HA  ))
    (  segid "ocre" and resid 50   and name HD% )
       4.300     4.300     1.700 peak   986 spectrum    1 weight  0.11000E+01 volume  0.25816E-03 ppm1      5.474 ppm2      7.000 CV     1
  ASSI {  987}
    (( segid "ocre" and resid 40   and name HA  ))
    (  segid "ocre" and resid 40   and name HE% )
       4.600     2.700     1.400 peak   987 spectrum    1 weight  0.11000E+01 volume  0.23417E-03 ppm1      5.655 ppm2      6.876 CV     1
  ASSI {  988}
    (( segid "ocre" and resid 48   and name HA  ))
    (  segid "ocre" and resid 48   and name HE% )
       4.700     2.800     1.300 peak   988 spectrum    1 weight  0.11000E+01 volume  0.35461E-03 ppm1      5.582 ppm2      6.650 CV     1
  ASSI {  989}
    (( segid "ocre" and resid 32   and name HA  ))
    (  segid "ocre" and resid 32   and name HE% )
       4.600     4.600     1.400 peak   989 spectrum    1 weight  0.11000E+01 volume  0.22552E-03 ppm1      5.484 ppm2      6.796 CV     1
  ASSI {  991}
    (( segid "ocre" and resid 39   and name HA  ))
    (  segid "ocre" and resid 39   and name HE% )
       4.300     4.300     1.700 peak   991 spectrum    1 weight  0.11000E+01 volume  0.56812E-03 ppm1      5.329 ppm2      6.744 CV     1
  ASSI { 1011}
    (( segid "ocre" and resid 48   and name HA  ))
    (  segid "ocre" and resid 41   and name HE% )
       4.500     2.500     1.500 peak  1011 spectrum    1 weight  0.11000E+01 volume  0.32102E-03 ppm1      5.577 ppm2      6.138 CV     1
  ASSI { 1016}
    (( segid "ocre" and resid 40   and name HA  ))
    (  segid "ocre" and resid 33   and name HD% )
       3.400     3.400     2.600 peak  1016 spectrum    1 weight  0.11000E+01 volume  0.85079E-03 ppm1      5.650 ppm2      5.961 CV     1
  ASSI { 1017}
    (( segid "ocre" and resid 48   and name HA  ))
    (  segid "ocre" and resid 41   and name HD% )
       3.200     1.300     1.300 peak  1017 spectrum    1 weight  0.11000E+01 volume  0.16435E-02 ppm1      5.583 ppm2      5.834 CV     1
  ASSI { 1048}
    (( segid "ocre" and resid 48   and name HA  ))
    (( segid "ocre" and resid 41   and name HA  ))
       2.500     0.800     0.800 peak  1048 spectrum    1 weight  0.11000E+01 volume  0.45002E-02 ppm1      5.581 ppm2      5.058 CV     1
  ASSI { 1083}
    (( segid "ocre" and resid 32   and name HA  ))
    (( segid "ocre" and resid 25   and name HA  ))
       2.500     2.500     3.500 peak  1083 spectrum    1 weight  0.11000E+01 volume  0.35132E-02 ppm1      5.488 ppm2      4.634 CV     1
  ASSI { 1085}
    (( segid "ocre" and resid 49   and name HA  ))
    (( segid "ocre" and resid 60   and name HA  ))
       2.300     0.700     0.700 peak  1085 spectrum    1 weight  0.11000E+01 volume  0.49958E-02 ppm1      5.476 ppm2      4.689 CV     1
  ASSI { 1128}
    (( segid "ocre" and resid 24   and name HA  ))
    (( segid "ocre" and resid 17   and name HA  ))
       2.500     0.800     0.800 peak  1128 spectrum    1 weight  0.11000E+01 volume  0.44262E-02 ppm1      5.255 ppm2      3.944 CV     1
  ASSI { 1143}
    (( segid "ocre" and resid 49   and name HA  ))
    (( segid "ocre" and resid 60   and name HD1 ))
       5.400     3.600     0.600 peak  1143 spectrum    1 weight  0.11000E+01 volume  0.89565E-04 ppm1      5.471 ppm2      3.785 CV     1
  ASSI { 1154}
    (( segid "ocre" and resid 32   and name HA  ))
    (( segid "ocre" and resid 23   and name HB1 ))
       4.700     4.700     1.300 peak  1154 spectrum    1 weight  0.11000E+01 volume  0.25850E-03 ppm1      5.492 ppm2      3.454 CV     1
  ASSI { 1155}
    (( segid "ocre" and resid 24   and name HA  ))
    (( segid "ocre" and resid 24   and name HB1 ))
       2.900     1.000     1.000 peak  1155 spectrum    1 weight  0.11000E+01 volume  0.14840E-02 ppm1      5.255 ppm2      3.353 CV     1
  ASSI { 1157}
    (( segid "ocre" and resid 40   and name HA  ))
    (( segid "ocre" and resid 40   and name HB2 ))
       3.000     1.100     1.100 peak  1157 spectrum    1 weight  0.11000E+01 volume  0.21665E-02 ppm1      5.651 ppm2      2.945 CV     1
  ASSI { 1158}
    (( segid "ocre" and resid 32   and name HA  ))
    (( segid "ocre" and resid 32   and name HB1 ))
       2.600     2.600     3.400 peak  1158 spectrum    1 weight  0.11000E+01 volume  0.25862E-02 ppm1      5.489 ppm2      3.104 CV     1
  ASSI { 1159}
    (( segid "ocre" and resid 39   and name HA  ))
    (( segid "ocre" and resid 39   and name HB2 ))
       2.700     2.700     3.300 peak  1159 spectrum    1 weight  0.11000E+01 volume  0.27359E-02 ppm1      5.332 ppm2      3.039 CV     1
  ASSI { 1160}
    (( segid "ocre" and resid 24   and name HA  ))
    (( segid "ocre" and resid 24   and name HB2 ))
       3.000     1.100     1.100 peak  1160 spectrum    1 weight  0.11000E+01 volume  0.24185E-02 ppm1      5.257 ppm2      3.148 CV     1
  ASSI { 1164}
    (( segid "ocre" and resid 48   and name HA  ))
    (( segid "ocre" and resid 48   and name HB1 ))
       2.600     0.800     0.800 peak  1164 spectrum    1 weight  0.11000E+01 volume  0.33972E-02 ppm1      5.582 ppm2      2.749 CV     1
  ASSI { 1166}
    (( segid "ocre" and resid 24   and name HA  ))
    (( segid "ocre" and resid 17   and name HB2 ))
       3.900     3.900     2.100 peak  1166 spectrum    1 weight  0.11000E+01 volume  0.60082E-03 ppm1      5.261 ppm2      2.744 CV     1
  ASSI { 1173}
    (( segid "ocre" and resid 40   and name HA  ))
    (( segid "ocre" and resid 33   and name HB2 ))
       3.900     1.900     1.900 peak  1173 spectrum    1 weight  0.11000E+01 volume  0.39847E-03 ppm1      5.646 ppm2      2.459 CV     1
  ASSI { 1176}
    (( segid "ocre" and resid 32   and name HA  ))
    (( segid "ocre" and resid 41   and name HB2 ))
       5.100     5.100     0.900 peak  1176 spectrum    1 weight  0.11000E+01 volume  0.31759E-03 ppm1      5.490 ppm2      2.469 CV     1
  ASSI { 1180}
    (( segid "ocre" and resid 49   and name HA  ))
    (( segid "ocre" and resid 58   and name HB1 ))
       5.100     3.200     0.900 peak  1180 spectrum    1 weight  0.11000E+01 volume  0.21297E-03 ppm1      5.475 ppm2      2.547 CV     1
  ASSI { 1181}
    (( segid "ocre" and resid 49   and name HA  ))
    (( segid "ocre" and resid 60   and name HB1 ))
       4.100     2.100     1.900 peak  1181 spectrum    1 weight  0.11000E+01 volume  0.67921E-03 ppm1      5.475 ppm2      2.310 CV     1
  ASSI { 1206}
    (( segid "ocre" and resid 40   and name HA  ))
    (( segid "ocre" and resid 49   and name HB2 ))
       4.200     2.200     1.800 peak  1206 spectrum    1 weight  0.11000E+01 volume  0.34724E-03 ppm1      5.647 ppm2      1.451 CV     1
  ASSI { 1208}
    (( segid "ocre" and resid 48   and name HA  ))
    (( segid "ocre" and resid 49   and name HG  ))
       3.700     1.800     1.800 peak  1208 spectrum    1 weight  0.11000E+01 volume  0.62091E-03 ppm1      5.584 ppm2      1.464 CV     1
  ASSI { 1209}
    (( segid "ocre" and resid 49   and name HA  ))
    (( segid "ocre" and resid 49   and name HB1 ))
       2.600     0.900     0.900 peak  1209 spectrum    1 weight  0.11000E+01 volume  0.25531E-02 ppm1      5.476 ppm2      1.589 CV     1
  ASSI { 1210}
    (( segid "ocre" and resid 49   and name HA  ))
    (( segid "ocre" and resid 49   and name HB2 ))
       2.700     0.900     0.900 peak  1210 spectrum    1 weight  0.11000E+01 volume  0.37080E-02 ppm1      5.476 ppm2      1.469 CV     1
  ASSI { 1231}
    (( segid "ocre" and resid 48   and name HA  ))
    (  segid "ocre" and resid 61   and name HB% )
       3.900     3.900     2.100 peak  1231 spectrum    1 weight  0.11000E+01 volume  0.60706E-03 ppm1      5.583 ppm2      1.228 CV     1
  ASSI { 1233}
    (( segid "ocre" and resid 49   and name HA  ))
    (  segid "ocre" and resid 61   and name HB% )
       3.600     3.600     2.400 peak  1233 spectrum    1 weight  0.11000E+01 volume  0.11356E-02 ppm1      5.476 ppm2      1.230 CV     1
  ASSI { 1255}
    (( segid "ocre" and resid 48   and name HA  ))
    (  segid "ocre" and resid 49   and name HD2%)
       3.600     3.600     2.400 peak  1255 spectrum    1 weight  0.11000E+01 volume  0.95948E-03 ppm1      5.584 ppm2      0.674 CV     1
  ASSI { 1283}
    (( segid "ocre" and resid 49   and name HA  ))
    (  segid "ocre" and resid 49   and name HD1%)
       2.900     1.000     1.000 peak  1283 spectrum    1 weight  0.11000E+01 volume  0.44880E-02 ppm1      5.476 ppm2      0.636 CV     1
  ASSI { 1290}
    (( segid "ocre" and resid 33   and name HA  ))
    (  segid "ocre" and resid 40   and name HD% )
       3.500     1.600     1.600 peak  1290 spectrum    1 weight  0.11000E+01 volume  0.86603E-03 ppm1      4.873 ppm2      7.245 CV     1
  ASSI { 1293}
    (( segid "ocre" and resid 41   and name HA  ))
    (  segid "ocre" and resid 48   and name HD% )
       4.200     4.200     1.800 peak  1293 spectrum    1 weight  0.11000E+01 volume  0.82244E-03 ppm1      5.059 ppm2      7.240 CV     1
  ASSI { 1294}
    (( segid "ocre" and resid 15   and name HA  ))
    (  segid "ocre" and resid 24   and name HD% )
       4.600     2.600     1.400 peak  1294 spectrum    1 weight  0.11000E+01 volume  0.33910E-03 ppm1      4.968 ppm2      7.239 CV     1
  ASSI { 1295}
    (( segid "ocre" and resid 16   and name HA  ))
    (  segid "ocre" and resid 24   and name HD% )
       3.700     1.700     1.700 peak  1295 spectrum    1 weight  0.11000E+01 volume  0.48337E-03 ppm1      4.884 ppm2      7.238 CV     1
  ASSI { 1302}
    (( segid "ocre" and resid 23   and name HA  ))
    (  segid "ocre" and resid 23   and name HD% )
       2.600     2.600     3.400 peak  1302 spectrum    1 weight  0.11000E+01 volume  0.27140E-02 ppm1      5.155 ppm2      6.941 CV     1
  ASSI { 1303}
    (( segid "ocre" and resid 16   and name HA  ))
    (  segid "ocre" and resid 24   and name HE% )
       4.400     2.500     1.600 peak  1303 spectrum    1 weight  0.11000E+01 volume  0.21889E-03 ppm1      4.886 ppm2      6.981 CV     1
  ASSI { 1305}
    (( segid "ocre" and resid 34   and name HA  ))
    (  segid "ocre" and resid 23   and name HD% )
       3.300     3.300     2.700 peak  1305 spectrum    1 weight  0.11000E+01 volume  0.85301E-03 ppm1      4.955 ppm2      6.944 CV     1
  ASSI { 1312}
    (( segid "ocre" and resid 15   and name HA  ))
    (  segid "ocre" and resid 15   and name HD% )
       2.600     0.800     0.800 peak  1312 spectrum    1 weight  0.11000E+01 volume  0.47760E-02 ppm1      4.970 ppm2      6.814 CV     1
  ASSI { 1319}
    (( segid "ocre" and resid 26   and name HA  ))
    (  segid "ocre" and resid 15   and name HD% )
       3.700     1.700     1.700 peak  1319 spectrum    1 weight  0.11000E+01 volume  0.67095E-03 ppm1      4.650 ppm2      6.815 CV     1
  ASSI { 1347}
    (( segid "ocre" and resid 15   and name HA  ))
    (  segid "ocre" and resid 15   and name HE% )
       3.800     1.800     1.800 peak  1347 spectrum    1 weight  0.11000E+01 volume  0.83537E-03 ppm1      4.971 ppm2      6.233 CV     1
  ASSI { 1352}
    (( segid "ocre" and resid 26   and name HA  ))
    (  segid "ocre" and resid 15   and name HE% )
       4.700     2.700     1.300 peak  1352 spectrum    1 weight  0.11000E+01 volume  0.28669E-03 ppm1      4.649 ppm2      6.231 CV     1
  ASSI { 1359}
    (( segid "ocre" and resid 41   and name HA  ))
    (  segid "ocre" and resid 41   and name HD% )
       2.700     0.900     0.900 peak  1359 spectrum    1 weight  0.11000E+01 volume  0.28816E-02 ppm1      5.059 ppm2      5.835 CV     1
  ASSI { 1360}
    (( segid "ocre" and resid 33   and name HA  ))
    (  segid "ocre" and resid 33   and name HD% )
       2.900     2.900     3.100 peak  1360 spectrum    1 weight  0.11000E+01 volume  0.18519E-02 ppm1      4.871 ppm2      5.961 CV     1
  ASSI { 1380}
    (( segid "ocre" and resid 33   and name HA  ))
    (( segid "ocre" and resid 40   and name HA  ))
       2.500     0.800     0.800 peak  1380 spectrum    1 weight  0.11000E+01 volume  0.39219E-02 ppm1      4.871 ppm2      5.653 CV     1
  ASSI { 1417}
    (( segid "ocre" and resid 23   and name HA  ))
    (( segid "ocre" and resid 34   and name HA  ))
       3.400     1.400     1.400 peak  1417 spectrum    1 weight  0.11000E+01 volume  0.13278E-02 ppm1      5.156 ppm2      4.955 CV     1
  ASSI { 1509}
    (( segid "ocre" and resid 58   and name HA  ))
    (( segid "ocre" and resid 51   and name HA  ))
       2.600     0.800     0.800 peak  1509 spectrum    1 weight  0.11000E+01 volume  0.36636E-02 ppm1      4.895 ppm2      4.347 CV     1
  ASSI { 1511}
    (( segid "ocre" and resid 23   and name HA  ))
    (( segid "ocre" and resid 35   and name HD1 ))
       3.300     1.400     1.400 peak  1511 spectrum    1 weight  0.11000E+01 volume  0.13307E-02 ppm1      5.155 ppm2      4.320 CV     1
  ASSI { 1545}
    (( segid "ocre" and resid 15   and name HA  ))
    (( segid "ocre" and resid 27   and name HD1 ))
       3.300     1.400     1.400 peak  1545 spectrum    1 weight  0.11000E+01 volume  0.21562E-02 ppm1      4.970 ppm2      4.023 CV     1
  ASSI { 1596}
    (( segid "ocre" and resid 23   and name HA  ))
    (( segid "ocre" and resid 23   and name HB1 ))
       2.600     0.800     0.800 peak  1596 spectrum    1 weight  0.11000E+01 volume  0.31590E-02 ppm1      5.155 ppm2      3.455 CV     1
  ASSI { 1597}
    (( segid "ocre" and resid 15   and name HA  ))
    (( segid "ocre" and resid 15   and name HB1 ))
       2.400     0.700     0.700 peak  1597 spectrum    1 weight  0.11000E+01 volume  0.36568E-02 ppm1      4.969 ppm2      3.212 CV     1
  ASSI { 1601}
    (( segid "ocre" and resid 26   and name HA  ))
    (( segid "ocre" and resid 15   and name HB1 ))
       4.800     2.900     1.200 peak  1601 spectrum    1 weight  0.11000E+01 volume  0.19584E-03 ppm1      4.650 ppm2      3.203 CV     1
  ASSI { 1609}
    (( segid "ocre" and resid 23   and name HA  ))
    (( segid "ocre" and resid 23   and name HB2 ))
       3.000     1.100     1.100 peak  1609 spectrum    1 weight  0.11000E+01 volume  0.27750E-02 ppm1      5.155 ppm2      3.104 CV     1
  ASSI { 1610}
    (( segid "ocre" and resid 41   and name HA  ))
    (( segid "ocre" and resid 32   and name HB1 ))
       4.400     4.400     1.600 peak  1610 spectrum    1 weight  0.11000E+01 volume  0.56123E-03 ppm1      5.057 ppm2      3.093 CV     1
  ASSI { 1617}
    (( segid "ocre" and resid 42   and name HA  ))
    (( segid "ocre" and resid 42   and name HB1 ))
       2.800     0.900     0.900 peak  1617 spectrum    1 weight  0.11000E+01 volume  0.39006E-02 ppm1      4.824 ppm2      3.064 CV     1
  ASSI { 1629}
    (( segid "ocre" and resid 58   and name HA  ))
    (( segid "ocre" and resid 58   and name HB1 ))
       2.500     0.800     0.800 peak  1629 spectrum    1 weight  0.11000E+01 volume  0.35884E-02 ppm1      4.897 ppm2      2.556 CV     1
  ASSI { 1630}
    (( segid "ocre" and resid 33   and name HA  ))
    (( segid "ocre" and resid 33   and name HB1 ))
       3.200     1.200     1.200 peak  1630 spectrum    1 weight  0.11000E+01 volume  0.20171E-02 ppm1      4.875 ppm2      2.671 CV     1
  ASSI { 1634}
    (( segid "ocre" and resid 41   and name HA  ))
    (( segid "ocre" and resid 41   and name HB1 ))
       2.900     1.100     1.100 peak  1634 spectrum    1 weight  0.11000E+01 volume  0.24521E-02 ppm1      5.059 ppm2      2.664 CV     1
  ASSI { 1639}
    (( segid "ocre" and resid 16   and name HA  ))
    (( segid "ocre" and resid 16   and name HG1 ))
       2.400     0.700     0.700 peak  1639 spectrum    1 weight  0.11000E+01 volume  0.63731E-02 ppm1      4.886 ppm2      2.561 CV     1
  ASSI { 1662}
    (( segid "ocre" and resid 41   and name HA  ))
    (( segid "ocre" and resid 41   and name HB2 ))
       2.700     0.900     0.900 peak  1662 spectrum    1 weight  0.11000E+01 volume  0.15813E-02 ppm1      5.058 ppm2      2.474 CV     1
  ASSI { 1664}
    (( segid "ocre" and resid 16   and name HA  ))
    (( segid "ocre" and resid 16   and name HB1 ))
       2.400     0.700     0.700 peak  1664 spectrum    1 weight  0.11000E+01 volume  0.87298E-02 ppm1      4.886 ppm2      2.242 CV     1
  ASSI { 1687}
    (( segid "ocre" and resid 23   and name HA  ))
    (( segid "ocre" and resid 35   and name HG1 ))
       4.100     2.100     1.900 peak  1687 spectrum    1 weight  0.11000E+01 volume  0.54732E-03 ppm1      5.155 ppm2      2.106 CV     1
  ASSI { 1697}
    (( segid "ocre" and resid 42   and name HA  ))
    (( segid "ocre" and resid 42   and name HB2 ))
       2.400     0.700     0.700 peak  1697 spectrum    1 weight  0.11000E+01 volume  0.49257E-02 ppm1      4.824 ppm2      2.037 CV     1
  ASSI { 1700}
    (( segid "ocre" and resid 26   and name HA  ))
    (( segid "ocre" and resid 27   and name HG1 ))
       4.100     2.100     1.900 peak  1700 spectrum    1 weight  0.11000E+01 volume  0.12043E-02 ppm1      4.651 ppm2      2.063 CV     1
  ASSI { 1735}
    (( segid "ocre" and resid 42   and name HA  ))
    (( segid "ocre" and resid 47   and name HB2 ))
       4.200     2.200     1.800 peak  1735 spectrum    1 weight  0.11000E+01 volume  0.34180E-03 ppm1      4.826 ppm2      1.640 CV     1
  ASSI { 1751}
    (( segid "ocre" and resid 60   and name HA  ))
    (( segid "ocre" and resid 49   and name HB2 ))
       4.200     2.200     1.800 peak  1751 spectrum    1 weight  0.11000E+01 volume  0.10692E-02 ppm1      4.690 ppm2      1.462 CV     1
  ASSI { 1752}
    (( segid "ocre" and resid 58   and name HA  ))
    (( segid "ocre" and resid 49   and name HB1 ))
       3.900     1.900     1.900 peak  1752 spectrum    1 weight  0.11000E+01 volume  0.44120E-03 ppm1      4.897 ppm2      1.592 CV     1
  ASSI { 1753}
    (( segid "ocre" and resid 58   and name HA  ))
    (( segid "ocre" and resid 49   and name HG  ))
       4.600     2.700     1.400 peak  1753 spectrum    1 weight  0.11000E+01 volume  0.40524E-03 ppm1      4.899 ppm2      1.470 CV     1
  ASSI { 1756}
    (( segid "ocre" and resid 41   and name HA  ))
    (( segid "ocre" and resid 49   and name HG  ))
       4.300     2.300     1.700 peak  1756 spectrum    1 weight  0.11000E+01 volume  0.28074E-03 ppm1      5.057 ppm2      1.459 CV     1
  ASSI { 1792}
    (( segid "ocre" and resid 60   and name HA  ))
    (  segid "ocre" and resid 61   and name HB% )
       5.000     5.000     1.000 peak  1792 spectrum    1 weight  0.11000E+01 volume  0.28015E-03 ppm1      4.692 ppm2      1.230 CV     1
  ASSI { 1796}
    (( segid "ocre" and resid 15   and name HA  ))
    (( segid "ocre" and resid 26   and name HB2 ))
       3.600     1.600     1.600 peak  1796 spectrum    1 weight  0.11000E+01 volume  0.48491E-03 ppm1      4.972 ppm2      1.094 CV     1
  ASSI { 1803}
    (( segid "ocre" and resid 42   and name HA  ))
    (  segid "ocre" and resid 45   and name HG2%)
       5.100     5.100     0.900 peak  1803 spectrum    1 weight  0.11000E+01 volume  0.13251E-03 ppm1      4.824 ppm2      0.995 CV     1
  ASSI { 1805}
    (( segid "ocre" and resid 26   and name HA  ))
    (( segid "ocre" and resid 26   and name HB2 ))
       2.800     1.000     1.000 peak  1805 spectrum    1 weight  0.11000E+01 volume  0.16035E-02 ppm1      4.649 ppm2      1.082 CV     1
  ASSI { 1825}
    (( segid "ocre" and resid 58   and name HA  ))
    (  segid "ocre" and resid 59   and name HG1%)
       4.300     2.300     1.700 peak  1825 spectrum    1 weight  0.11000E+01 volume  0.42616E-03 ppm1      4.898 ppm2      0.895 CV     1
  ASSI { 1827}
    (( segid "ocre" and resid 41   and name HA  ))
    (  segid "ocre" and resid 49   and name HD2%)
       4.000     2.000     2.000 peak  1827 spectrum    1 weight  0.11000E+01 volume  0.84688E-03 ppm1      5.059 ppm2      0.677 CV     1
  ASSI { 1853}
    (( segid "ocre" and resid 58   and name HA  ))
    (  segid "ocre" and resid 59   and name HG2%)
       3.700     1.700     1.700 peak  1853 spectrum    1 weight  0.11000E+01 volume  0.15428E-02 ppm1      4.897 ppm2      0.605 CV     1
  ASSI { 1858}
    (( segid "ocre" and resid 42   and name HA  ))
    (  segid "ocre" and resid 31   and name HD1%)
       2.300     2.300     3.700 peak  1858 spectrum    1 weight  0.11000E+01 volume  0.90367E-02 ppm1      4.824 ppm2      0.589 CV     1
  ASSI { 1877}
    (( segid "ocre" and resid 57   and name HA  ))
    (  segid "ocre" and resid 7    and name HD% )
       2.800     2.800     3.200 peak  1877 spectrum    1 weight  0.11000E+01 volume  0.23532E-02 ppm1      4.195 ppm2      7.238 CV     1
  ASSI { 1878}
    (( segid "ocre" and resid 7    and name HA  ))
    (  segid "ocre" and resid 7    and name HD% )
       2.800     2.800     3.200 peak  1878 spectrum    1 weight  0.11000E+01 volume  0.30477E-02 ppm1      4.615 ppm2      7.244 CV     1
  ASSI { 1881}
    (( segid "ocre" and resid 31   and name HA  ))
    (  segid "ocre" and resid 32   and name HD% )
       3.400     3.400     2.600 peak  1881 spectrum    1 weight  0.11000E+01 volume  0.62864E-03 ppm1      4.557 ppm2      7.268 CV     1
  ASSI { 1886}
    (( segid "ocre" and resid 21   and name HA  ))
    (  segid "ocre" and resid 23   and name HD% )
       4.500     2.500     1.500 peak  1886 spectrum    1 weight  0.11000E+01 volume  0.42844E-03 ppm1      4.315 ppm2      6.938 CV     1
  ASSI { 1893}
    (( segid "ocre" and resid 61   and name HA  ))
    (  segid "ocre" and resid 50   and name HD% )
       2.800     2.800     3.200 peak  1893 spectrum    1 weight  0.11000E+01 volume  0.27651E-02 ppm1      4.472 ppm2      7.004 CV     1
  ASSI { 1894}
    (( segid "ocre" and resid 35   and name HD1 ))
    (  segid "ocre" and resid 24   and name HE% )
       3.600     1.600     1.600 peak  1894 spectrum    1 weight  0.11000E+01 volume  0.79566E-03 ppm1      4.315 ppm2      6.966 CV     1
  ASSI { 1896}
    (( segid "ocre" and resid 14   and name HA  ))
    (  segid "ocre" and resid 15   and name HD% )
       5.200     5.200     0.800 peak  1896 spectrum    1 weight  0.11000E+01 volume  0.17974E-03 ppm1      4.387 ppm2      6.809 CV     1
  ASSI { 1897}
    (( segid "ocre" and resid 29   and name HA  ))
    (  segid "ocre" and resid 7    and name HE% )
       4.200     4.200     1.800 peak  1897 spectrum    1 weight  0.11000E+01 volume  0.31108E-03 ppm1      4.236 ppm2      6.816 CV     1
  ASSI { 1904}
    (( segid "ocre" and resid 51   and name HA  ))
    (( segid "ocre" and resid 51   and name HD1 ))
       4.400     2.400     1.600 peak  1904 spectrum    1 weight  0.11000E+01 volume  0.31848E-03 ppm1      4.346 ppm2      6.898 CV     1
  ASSI { 1910}
    (( segid "ocre" and resid 61   and name HA  ))
    (  segid "ocre" and resid 50   and name HE% )
       2.800     2.800     3.200 peak  1910 spectrum    1 weight  0.11000E+01 volume  0.31365E-02 ppm1      4.472 ppm2      6.769 CV     1
  ASSI { 1915}
    (( segid "ocre" and resid 51   and name HA  ))
    (  segid "ocre" and resid 58   and name HD% )
       3.700     1.700     1.700 peak  1915 spectrum    1 weight  0.11000E+01 volume  0.52660E-03 ppm1      4.347 ppm2      6.422 CV     1
  ASSI { 1917}
    (( segid "ocre" and resid 35   and name HD1 ))
    (  segid "ocre" and resid 23   and name HE% )
       4.500     4.500     1.500 peak  1917 spectrum    1 weight  0.11000E+01 volume  0.26794E-03 ppm1      4.315 ppm2      6.550 CV     1
  ASSI { 1918}
    (( segid "ocre" and resid 35   and name HD1 ))
    (  segid "ocre" and resid 33   and name HE% )
       4.300     2.300     1.700 peak  1918 spectrum    1 weight  0.11000E+01 volume  0.20536E-03 ppm1      4.312 ppm2      6.369 CV     1
  ASSI { 1924}
    (( segid "ocre" and resid 51   and name HA  ))
    (( segid "ocre" and resid 51   and name HZ3 ))
       5.800     4.300     0.200 peak  1924 spectrum    1 weight  0.11000E+01 volume  0.11650E-03 ppm1      4.362 ppm2      6.137 CV     1
  ASSI { 1944}
    (( segid "ocre" and resid 51   and name HA  ))
    (( segid "ocre" and resid 51   and name HE3 ))
       3.300     1.300     1.300 peak  1944 spectrum    1 weight  0.11000E+01 volume  0.81910E-03 ppm1      4.356 ppm2      5.364 CV     1
  ASSI { 1975}
    (( segid "ocre" and resid 35   and name HD1 ))
    (( segid "ocre" and resid 34   and name HA  ))
       2.200     0.600     0.600 peak  1975 spectrum    1 weight  0.11000E+01 volume  0.64548E-02 ppm1      4.316 ppm2      4.955 CV     1
  ASSI { 2108}
    (( segid "ocre" and resid 28   and name HB  ))
    (( segid "ocre" and resid 28   and name HA  ))
       2.200     0.600     0.600 peak  2108 spectrum    1 weight  0.11000E+01 volume  0.10331E-01 ppm1      4.247 ppm2      4.062 CV     1
  ASSI { 2121}
    (( segid "ocre" and resid 29   and name HA  ))
    (( segid "ocre" and resid 29   and name HB  ))
       2.300     0.600     0.600 peak  2121 spectrum    1 weight  0.11000E+01 volume  0.95472E-02 ppm1      4.248 ppm2      3.806 CV     1
  ASSI { 2122}
    (( segid "ocre" and resid 5    and name HA  ))
    (( segid "ocre" and resid 5    and name HB  ))
       2.200     0.600     0.600 peak  2122 spectrum    1 weight  0.11000E+01 volume  0.11565E-01 ppm1      4.218 ppm2      4.068 CV     1
  ASSI { 2123}
    (( segid "ocre" and resid 13   and name HA  ))
    (( segid "ocre" and resid 13   and name HB1 ))
       2.100     0.500     0.500 peak  2123 spectrum    1 weight  0.11000E+01 volume  0.17810E-01 ppm1      4.135 ppm2      3.866 CV     1
  ASSI { 2165}
    (( segid "ocre" and resid 37   and name HA  ))
    (( segid "ocre" and resid 37   and name HB1 ))
       2.300     0.600     0.600 peak  2165 spectrum    1 weight  0.11000E+01 volume  0.88642E-02 ppm1      4.199 ppm2      3.704 CV     1
  ASSI { 2166}
    (( segid "ocre" and resid 59   and name HA  ))
    (( segid "ocre" and resid 60   and name HD1 ))
       2.100     0.500     0.500 peak  2166 spectrum    1 weight  0.11000E+01 volume  0.10986E-01 ppm1      4.493 ppm2      3.790 CV     1
  ASSI { 2167}
    (( segid "ocre" and resid 59   and name HA  ))
    (( segid "ocre" and resid 60   and name HD2 ))
       2.400     0.700     0.700 peak  2167 spectrum    1 weight  0.11000E+01 volume  0.77542E-02 ppm1      4.493 ppm2      3.648 CV     1
  ASSI { 2169}
    (( segid "ocre" and resid 21   and name HA  ))
    (( segid "ocre" and resid 21   and name HB1 ))
       2.100     0.500     0.500 peak  2169 spectrum    1 weight  0.11000E+01 volume  0.11840E-01 ppm1      4.315 ppm2      3.505 CV     1
  ASSI { 2207}
    (( segid "ocre" and resid 57   and name HA  ))
    (( segid "ocre" and resid 7    and name HB1 ))
       4.400     4.400     1.600 peak  2207 spectrum    1 weight  0.11000E+01 volume  0.28639E-03 ppm1      4.211 ppm2      3.250 CV     1
  ASSI { 2208}
    (( segid "ocre" and resid 7    and name HA  ))
    (( segid "ocre" and resid 7    and name HB1 ))
       2.600     0.900     0.900 peak  2208 spectrum    1 weight  0.11000E+01 volume  0.36295E-02 ppm1      4.614 ppm2      3.238 CV     1
  ASSI { 2215}
    (( segid "ocre" and resid 51   and name HA  ))
    (( segid "ocre" and resid 51   and name HB1 ))
       3.400     1.500     1.500 peak  2215 spectrum    1 weight  0.11000E+01 volume  0.11069E-02 ppm1      4.358 ppm2      3.211 CV     1
  ASSI { 2234}
    (( segid "ocre" and resid 37   and name HA  ))
    (( segid "ocre" and resid 36   and name HB1 ))
       4.000     2.000     2.000 peak  2234 spectrum    1 weight  0.11000E+01 volume  0.40770E-03 ppm1      4.196 ppm2      2.998 CV     1
  ASSI { 2238}
    (( segid "ocre" and resid 36   and name HA  ))
    (( segid "ocre" and resid 36   and name HB1 ))
       2.500     0.800     0.800 peak  2238 spectrum    1 weight  0.11000E+01 volume  0.55619E-02 ppm1      4.516 ppm2      2.996 CV     1
  ASSI { 2265}
    (( segid "ocre" and resid 7    and name HA  ))
    (( segid "ocre" and resid 7    and name HB2 ))
       3.000     1.100     1.100 peak  2265 spectrum    1 weight  0.11000E+01 volume  0.24993E-02 ppm1      4.614 ppm2      2.847 CV     1
  ASSI { 2266}
    (( segid "ocre" and resid 25   and name HA  ))
    (( segid "ocre" and resid 25   and name HB1 ))
       3.000     1.100     1.100 peak  2266 spectrum    1 weight  0.11000E+01 volume  0.27210E-02 ppm1      4.634 ppm2      2.705 CV     1
  ASSI { 2271}
    (( segid "ocre" and resid 36   and name HA  ))
    (( segid "ocre" and resid 36   and name HB2 ))
       2.500     0.800     0.800 peak  2271 spectrum    1 weight  0.11000E+01 volume  0.80649E-02 ppm1      4.516 ppm2      2.813 CV     1
  ASSI { 2272}
    (( segid "ocre" and resid 51   and name HA  ))
    (( segid "ocre" and resid 51   and name HB2 ))
       2.800     1.000     1.000 peak  2272 spectrum    1 weight  0.11000E+01 volume  0.18359E-02 ppm1      4.357 ppm2      2.851 CV     1
  ASSI { 2276}
    (( segid "ocre" and resid 11   and name HA  ))
    (( segid "ocre" and resid 11   and name HB1 ))
       2.700     0.900     0.900 peak  2276 spectrum    1 weight  0.11000E+01 volume  0.31791E-02 ppm1      4.551 ppm2      2.668 CV     1
  ASSI { 2288}
    (( segid "ocre" and resid 45   and name HB  ))
    (( segid "ocre" and resid 47   and name HG1 ))
       2.600     0.800     0.800 peak  2288 spectrum    1 weight  0.11000E+01 volume  0.39826E-02 ppm1      4.191 ppm2      2.271 CV     1
  ASSI { 2304}
    (( segid "ocre" and resid 54   and name HA  ))
    (( segid "ocre" and resid 54   and name HG1 ))
       2.800     1.000     1.000 peak  2304 spectrum    1 weight  0.11000E+01 volume  0.31214E-02 ppm1      4.119 ppm2      2.244 CV     1
  ASSI { 2309}
    (( segid "ocre" and resid 63   and name HA  ))
    (( segid "ocre" and resid 63   and name HG1 ))
       3.000     1.200     1.200 peak  2309 spectrum    1 weight  0.11000E+01 volume  0.21196E-02 ppm1      4.330 ppm2      2.284 CV     1
  ASSI { 2311}
    (( segid "ocre" and resid 47   and name HA  ))
    (( segid "ocre" and resid 47   and name HG1 ))
       2.600     0.900     0.900 peak  2311 spectrum    1 weight  0.11000E+01 volume  0.65296E-02 ppm1      4.630 ppm2      2.275 CV     1
  ASSI { 2313}
    (( segid "ocre" and resid 52   and name HA  ))
    (( segid "ocre" and resid 52   and name HB1 ))
       2.800     1.000     1.000 peak  2313 spectrum    1 weight  0.11000E+01 volume  0.39175E-02 ppm1      4.575 ppm2      2.532 CV     1
  ASSI { 2314}
    (( segid "ocre" and resid 11   and name HA  ))
    (( segid "ocre" and resid 11   and name HB2 ))
       2.700     0.900     0.900 peak  2314 spectrum    1 weight  0.11000E+01 volume  0.45670E-02 ppm1      4.551 ppm2      2.438 CV     1
  ASSI { 2316}
    (( segid "ocre" and resid 35   and name HD1 ))
    (( segid "ocre" and resid 35   and name HB1 ))
       3.600     1.700     1.700 peak  2316 spectrum    1 weight  0.11000E+01 volume  0.11772E-02 ppm1      4.315 ppm2      2.286 CV     1
  ASSI { 2338}
    (( segid "ocre" and resid 59   and name HA  ))
    (( segid "ocre" and resid 60   and name HG1 ))
       4.200     2.200     1.800 peak  2338 spectrum    1 weight  0.11000E+01 volume  0.12188E-02 ppm1      4.493 ppm2      2.130 CV     1
  ASSI { 2343}
    (( segid "ocre" and resid 54   and name HA  ))
    (( segid "ocre" and resid 54   and name HB1 ))
       2.100     0.600     0.600 peak  2343 spectrum    1 weight  0.11000E+01 volume  0.14052E-01 ppm1      4.120 ppm2      2.045 CV     1
  ASSI { 2344}
    (( segid "ocre" and resid 3    and name HA  ))
    (( segid "ocre" and resid 3    and name HB1 ))
       2.700     0.900     0.900 peak  2344 spectrum    1 weight  0.11000E+01 volume  0.31525E-02 ppm1      4.461 ppm2      2.066 CV     1
  ASSI { 2345}
    (( segid "ocre" and resid 63   and name HA  ))
    (( segid "ocre" and resid 63   and name HB1 ))
       2.600     0.900     0.900 peak  2345 spectrum    1 weight  0.11000E+01 volume  0.36136E-02 ppm1      4.332 ppm2      2.127 CV     1
  ASSI { 2346}
    (( segid "ocre" and resid 63   and name HA  ))
    (( segid "ocre" and resid 63   and name HB2 ))
       3.000     1.100     1.100 peak  2346 spectrum    1 weight  0.11000E+01 volume  0.22663E-02 ppm1      4.329 ppm2      1.949 CV     1
  ASSI { 2353}
    (( segid "ocre" and resid 52   and name HA  ))
    (( segid "ocre" and resid 52   and name HB2 ))
       2.500     0.800     0.800 peak  2353 spectrum    1 weight  0.11000E+01 volume  0.47052E-02 ppm1      4.576 ppm2      2.131 CV     1
  ASSI { 2355}
    (( segid "ocre" and resid 35   and name HD1 ))
    (( segid "ocre" and resid 35   and name HB2 ))
       2.800     1.000     1.000 peak  2355 spectrum    1 weight  0.11000E+01 volume  0.66006E-02 ppm1      4.316 ppm2      2.107 CV     1
  ASSI { 2368}
    (( segid "ocre" and resid 45   and name HB  ))
    (( segid "ocre" and resid 47   and name HB1 ))
       4.800     2.800     1.200 peak  2368 spectrum    1 weight  0.11000E+01 volume  0.44321E-03 ppm1      4.198 ppm2      1.891 CV     1
  ASSI { 2374}
    (( segid "ocre" and resid 45   and name HA  ))
    (( segid "ocre" and resid 47   and name HB2 ))
       4.000     2.000     2.000 peak  2374 spectrum    1 weight  0.11000E+01 volume  0.72292E-03 ppm1      4.159 ppm2      1.627 CV     1
  ASSI { 2378}
    (( segid "ocre" and resid 59   and name HA  ))
    (( segid "ocre" and resid 60   and name HG2 ))
       4.300     2.300     1.700 peak  2378 spectrum    1 weight  0.11000E+01 volume  0.11098E-02 ppm1      4.493 ppm2      1.826 CV     1
  ASSI { 2380}
    (( segid "ocre" and resid 21   and name HA  ))
    (( segid "sm_n" and resid 108  and name HB  ))
       4.800     2.900     1.200 peak  2380 spectrum    1 weight  0.11000E+01 volume  0.23776E-03 ppm1      4.317 ppm2      1.781 CV     1
  ASSI { 2381}
    (( segid "ocre" and resid 44   and name HA  ))
    (( segid "ocre" and resid 44   and name HB1 ))
       2.500     0.800     0.800 peak  2381 spectrum    1 weight  0.11000E+01 volume  0.52187E-02 ppm1      4.290 ppm2      1.830 CV     1
  ASSI { 2382}
    (( segid "ocre" and resid 44   and name HA  ))
    (( segid "ocre" and resid 44   and name HG  ))
       2.400     0.700     0.700 peak  2382 spectrum    1 weight  0.11000E+01 volume  0.69691E-02 ppm1      4.291 ppm2      1.636 CV     1
  ASSI { 2386}
    (( segid "ocre" and resid 47   and name HA  ))
    (( segid "ocre" and resid 47   and name HB1 ))
       2.400     0.700     0.700 peak  2386 spectrum    1 weight  0.11000E+01 volume  0.55915E-02 ppm1      4.629 ppm2      1.899 CV     1
  ASSI { 2387}
    (( segid "ocre" and resid 47   and name HA  ))
    (( segid "ocre" and resid 47   and name HB2 ))
       2.800     1.000     1.000 peak  2387 spectrum    1 weight  0.11000E+01 volume  0.37423E-02 ppm1      4.628 ppm2      1.629 CV     1
  ASSI { 2388}
    (( segid "ocre" and resid 31   and name HA  ))
    (( segid "ocre" and resid 31   and name HB1 ))
       2.900     1.000     1.000 peak  2388 spectrum    1 weight  0.11000E+01 volume  0.20731E-02 ppm1      4.551 ppm2      1.682 CV     1
  ASSI { 2405}
    (( segid "ocre" and resid 7    and name HA  ))
    (  segid "ocre" and resid 8    and name HB% )
       4.000     2.000     2.000 peak  2405 spectrum    1 weight  0.11000E+01 volume  0.55744E-03 ppm1      4.613 ppm2      1.301 CV     1
  ASSI { 2406}
    (( segid "ocre" and resid 59   and name HA  ))
    (( segid "ocre" and resid 59   and name HB  ))
       2.700     0.900     0.900 peak  2406 spectrum    1 weight  0.11000E+01 volume  0.29299E-02 ppm1      4.491 ppm2      1.340 CV     1
  ASSI { 2417}
    (( segid "ocre" and resid 62   and name HA  ))
    (  segid "ocre" and resid 62   and name HB% )
       2.200     0.600     0.600 peak  2417 spectrum    1 weight  0.11000E+01 volume  0.11798E-01 ppm1      4.412 ppm2      1.452 CV     1
  ASSI { 2418}
    (( segid "ocre" and resid 8    and name HA  ))
    (  segid "ocre" and resid 8    and name HB% )
       2.000     0.500     0.500 peak  2418 spectrum    1 weight  0.11000E+01 volume  0.17089E-01 ppm1      4.314 ppm2      1.304 CV     1
  ASSI { 2425}
    (( segid "ocre" and resid 14   and name HB  ))
    (  segid "ocre" and resid 14   and name HG2%)
       2.100     0.500     0.500 peak  2425 spectrum    1 weight  0.11000E+01 volume  0.15639E-01 ppm1      4.452 ppm2      1.110 CV     1
  ASSI { 2427}
    (( segid "ocre" and resid 45   and name HB  ))
    (  segid "ocre" and resid 45   and name HG2%)
       2.100     0.500     0.500 peak  2427 spectrum    1 weight  0.11000E+01 volume  0.15667E-01 ppm1      4.192 ppm2      0.993 CV     1
  ASSI { 2429}
    (( segid "ocre" and resid 28   and name HB  ))
    (  segid "ocre" and resid 28   and name HG2%)
       2.200     0.600     0.600 peak  2429 spectrum    1 weight  0.11000E+01 volume  0.10597E-01 ppm1      4.248 ppm2      1.216 CV     1
  ASSI { 2439}
    (( segid "ocre" and resid 14   and name HA  ))
    (  segid "ocre" and resid 14   and name HG2%)
       2.300     2.300     3.700 peak  2439 spectrum    1 weight  0.11000E+01 volume  0.12490E-01 ppm1      4.393 ppm2      1.109 CV     1
  ASSI { 2441}
    (( segid "ocre" and resid 29   and name HA  ))
    (  segid "ocre" and resid 29   and name HG2%)
       2.100     2.100     3.900 peak  2441 spectrum    1 weight  0.11000E+01 volume  0.15534E-01 ppm1      4.237 ppm2      1.035 CV     1
  ASSI { 2442}
    (( segid "ocre" and resid 45   and name HA  ))
    (  segid "ocre" and resid 45   and name HG2%)
       2.300     0.700     0.700 peak  2442 spectrum    1 weight  0.11000E+01 volume  0.97638E-02 ppm1      4.164 ppm2      0.993 CV     1
  ASSI { 2446}
    (( segid "ocre" and resid 7    and name HA  ))
    (  segid "ocre" and resid 29   and name HG2%)
       3.900     3.900     2.100 peak  2446 spectrum    1 weight  0.11000E+01 volume  0.37991E-03 ppm1      4.615 ppm2      1.033 CV     1
  ASSI { 2462}
    (( segid "ocre" and resid 31   and name HA  ))
    (( segid "ocre" and resid 31   and name HG  ))
       2.900     1.000     1.000 peak  2462 spectrum    1 weight  0.11000E+01 volume  0.17668E-02 ppm1      4.546 ppm2      1.174 CV     1
  ASSI { 2468}
    (( segid "ocre" and resid 61   and name HA  ))
    (  segid "ocre" and resid 61   and name HB% )
       2.200     2.200     3.800 peak  2468 spectrum    1 weight  0.11000E+01 volume  0.12409E-01 ppm1      4.470 ppm2      1.231 CV     1
  ASSI { 2497}
    (( segid "ocre" and resid 57   and name HA  ))
    (  segid "ocre" and resid 57   and name HG2%)
       3.000     1.100     1.100 peak  2497 spectrum    1 weight  0.11000E+01 volume  0.29720E-02 ppm1      4.190 ppm2      0.750 CV     1
  ASSI { 2498}
    (( segid "ocre" and resid 59   and name HA  ))
    (  segid "ocre" and resid 59   and name HG1%)
       2.400     0.700     0.700 peak  2498 spectrum    1 weight  0.11000E+01 volume  0.67942E-02 ppm1      4.493 ppm2      0.897 CV     1
  ASSI { 2499}
    (( segid "ocre" and resid 59   and name HA  ))
    (  segid "ocre" and resid 57   and name HG2%)
       3.400     1.500     1.500 peak  2499 spectrum    1 weight  0.11000E+01 volume  0.79749E-03 ppm1      4.492 ppm2      0.746 CV     1
  ASSI { 2500}
    (( segid "ocre" and resid 44   and name HA  ))
    (  segid "ocre" and resid 44   and name HD2%)
       2.500     0.800     0.800 peak  2500 spectrum    1 weight  0.11000E+01 volume  0.61748E-02 ppm1      4.291 ppm2      0.850 CV     1
  ASSI { 2507}
    (( segid "ocre" and resid 52   and name HA  ))
    (  segid "ocre" and resid 59   and name HG1%)
       4.500     4.500     1.500 peak  2507 spectrum    1 weight  0.11000E+01 volume  0.32762E-03 ppm1      4.559 ppm2      0.889 CV     1
  ASSI { 2519}
    (( segid "ocre" and resid 59   and name HA  ))
    (  segid "ocre" and resid 59   and name HG2%)
       2.600     2.600     3.400 peak  2519 spectrum    1 weight  0.11000E+01 volume  0.63139E-02 ppm1      4.492 ppm2      0.600 CV     1
  ASSI { 2524}
    (( segid "ocre" and resid 31   and name HA  ))
    (  segid "ocre" and resid 31   and name HD1%)
       2.300     2.300     3.700 peak  2524 spectrum    1 weight  0.11000E+01 volume  0.94910E-02 ppm1      4.549 ppm2      0.587 CV     1
  ASSI { 2525}
    (( segid "ocre" and resid 52   and name HA  ))
    (  segid "ocre" and resid 59   and name HG2%)
       3.300     3.300     2.700 peak  2525 spectrum    1 weight  0.11000E+01 volume  0.18160E-02 ppm1      4.562 ppm2      0.592 CV     1
  ASSI { 2534}
    (( segid "ocre" and resid 29   and name HA  ))
    (  segid "ocre" and resid 31   and name HD2%)
       4.100     4.100     1.900 peak  2534 spectrum    1 weight  0.11000E+01 volume  0.69555E-03 ppm1      4.249 ppm2     -0.080 CV     1
  ASSI { 2541}
    (( segid "ocre" and resid 31   and name HA  ))
    (  segid "ocre" and resid 31   and name HD2%)
       3.600     1.700     1.700 peak  2541 spectrum    1 weight  0.11000E+01 volume  0.14514E-02 ppm1      4.549 ppm2     -0.077 CV     1
  ASSI { 2550}
    (( segid "ocre" and resid 43   and name HB1 ))
    (  segid "ocre" and resid 32   and name HD% )
       3.900     3.900     2.100 peak  2550 spectrum    1 weight  0.11000E+01 volume  0.37597E-03 ppm1      4.072 ppm2      7.288 CV     1
  ASSI { 2552}
    (( segid "ocre" and resid 43   and name HB2 ))
    (  segid "ocre" and resid 32   and name HD% )
       3.900     3.900     2.100 peak  2552 spectrum    1 weight  0.11000E+01 volume  0.75660E-03 ppm1      3.826 ppm2      7.288 CV     1
  ASSI { 2554}
    (( segid "ocre" and resid 43   and name HA  ))
    (  segid "ocre" and resid 32   and name HD% )
       5.200     5.200     0.800 peak  2554 spectrum    1 weight  0.11000E+01 volume  0.19771E-03 ppm1      3.808 ppm2      7.276 CV     1
  ASSI { 2555}
    (( segid "ocre" and resid 35   and name HD2 ))
    (  segid "ocre" and resid 24   and name HD% )
       3.600     1.600     1.600 peak  2555 spectrum    1 weight  0.11000E+01 volume  0.14425E-02 ppm1      4.078 ppm2      7.238 CV     1
  ASSI { 2561}
    (( segid "ocre" and resid 37   and name HB1 ))
    (  segid "ocre" and resid 39   and name HD% )
       2.900     2.900     3.100 peak  2561 spectrum    1 weight  0.11000E+01 volume  0.16943E-02 ppm1      3.703 ppm2      7.198 CV     1
  ASSI { 2563}
    (( segid "ocre" and resid 17   and name HA  ))
    (  segid "ocre" and resid 24   and name HE% )
       3.700     3.700     2.300 peak  2563 spectrum    1 weight  0.11000E+01 volume  0.57863E-03 ppm1      3.942 ppm2      6.983 CV     1
  ASSI { 2566}
    (( segid "ocre" and resid 35   and name HD2 ))
    (  segid "ocre" and resid 24   and name HE% )
       3.700     1.800     1.800 peak  2566 spectrum    1 weight  0.11000E+01 volume  0.71526E-03 ppm1      4.078 ppm2      6.973 CV     1
  ASSI { 2567}
    (( segid "ocre" and resid 22   and name HA1 ))
    (  segid "ocre" and resid 23   and name HD% )
       4.500     2.500     1.500 peak  2567 spectrum    1 weight  0.11000E+01 volume  0.13643E-03 ppm1      4.068 ppm2      6.940 CV     1
  ASSI { 2568}
    (( segid "ocre" and resid 53   and name HA1 ))
    (( segid "ocre" and resid 51   and name HZ2 ))
       4.700     2.800     1.300 peak  2568 spectrum    1 weight  0.11000E+01 volume  0.45058E-03 ppm1      3.783 ppm2      7.125 CV     1
  ASSI { 2569}
    (( segid "ocre" and resid 22   and name HA2 ))
    (  segid "ocre" and resid 23   and name HD% )
       4.800     2.900     1.200 peak  2569 spectrum    1 weight  0.11000E+01 volume  0.15676E-03 ppm1      3.672 ppm2      6.947 CV     1
  ASSI { 2570}
    (( segid "ocre" and resid 53   and name HA2 ))
    (( segid "ocre" and resid 51   and name HZ2 ))
       3.400     1.400     1.400 peak  2570 spectrum    1 weight  0.11000E+01 volume  0.74399E-03 ppm1      3.560 ppm2      7.125 CV     1
  ASSI { 2572}
    (( segid "ocre" and resid 39   and name HB1 ))
    (  segid "ocre" and resid 39   and name HD% )
       2.700     0.900     0.900 peak  2572 spectrum    1 weight  0.11000E+01 volume  0.29912E-02 ppm1      3.575 ppm2      7.225 CV     1
  ASSI { 2573}
    (( segid "ocre" and resid 29   and name HB  ))
    (  segid "ocre" and resid 7    and name HE% )
       4.300     4.300     1.700 peak  2573 spectrum    1 weight  0.11000E+01 volume  0.21401E-03 ppm1      3.804 ppm2      6.825 CV     1
  ASSI { 2578}
    (( segid "ocre" and resid 43   and name HB1 ))
    (  segid "ocre" and resid 32   and name HE% )
       3.200     3.200     2.800 peak  2578 spectrum    1 weight  0.11000E+01 volume  0.71969E-03 ppm1      4.073 ppm2      6.793 CV     1
  ASSI { 2582}
    (( segid "ocre" and resid 37   and name HB1 ))
    (  segid "ocre" and resid 39   and name HE% )
       3.300     3.300     2.700 peak  2582 spectrum    1 weight  0.11000E+01 volume  0.76826E-03 ppm1      3.705 ppm2      6.737 CV     1
  ASSI { 2583}
    (( segid "ocre" and resid 43   and name HA  ))
    (  segid "ocre" and resid 32   and name HE% )
       5.200     5.200     0.800 peak  2583 spectrum    1 weight  0.11000E+01 volume  0.22517E-03 ppm1      3.810 ppm2      6.798 CV     1
  ASSI { 2584}
    (( segid "ocre" and resid 9    and name HA  ))
    (( segid "ocre" and resid 51   and name HH2 ))
       4.100     2.100     1.900 peak  2584 spectrum    1 weight  0.11000E+01 volume  0.42356E-03 ppm1      3.797 ppm2      6.684 CV     1
  ASSI { 2595}
    (( segid "ocre" and resid 39   and name HB1 ))
    (  segid "ocre" and resid 39   and name HE% )
       4.600     2.700     1.400 peak  2595 spectrum    1 weight  0.11000E+01 volume  0.37115E-03 ppm1      3.571 ppm2      6.741 CV     1
  ASSI { 2605}
    (( segid "ocre" and resid 35   and name HA  ))
    (  segid "ocre" and resid 33   and name HE% )
       2.400     2.400     3.600 peak  2605 spectrum    1 weight  0.11000E+01 volume  0.69942E-02 ppm1      3.941 ppm2      6.376 CV     1
  ASSI { 2607}
    (( segid "ocre" and resid 17   and name HA  ))
    (  segid "ocre" and resid 17   and name HE% )
       4.000     2.000     2.000 peak  2607 spectrum    1 weight  0.11000E+01 volume  0.65571E-03 ppm1      3.943 ppm2      6.507 CV     1
  ASSI { 2610}
    (( segid "ocre" and resid 38   and name HA  ))
    (  segid "ocre" and resid 33   and name HE% )
       2.700     2.700     3.300 peak  2610 spectrum    1 weight  0.11000E+01 volume  0.32419E-02 ppm1      3.665 ppm2      6.365 CV     1
  ASSI { 2611}
    (( segid "ocre" and resid 19   and name HA  ))
    (  segid "ocre" and resid 17   and name HE% )
       2.500     0.800     0.800 peak  2611 spectrum    1 weight  0.11000E+01 volume  0.49935E-02 ppm1      3.616 ppm2      6.507 CV     1
  ASSI { 2618}
    (( segid "ocre" and resid 22   and name HA2 ))
    (  segid "ocre" and resid 17   and name HE% )
       3.000     1.200     1.200 peak  2618 spectrum    1 weight  0.11000E+01 volume  0.15791E-02 ppm1      3.670 ppm2      6.508 CV     1
  ASSI { 2631}
    (( segid "ocre" and resid 43   and name HB1 ))
    (  segid "ocre" and resid 41   and name HE% )
       2.900     1.000     1.000 peak  2631 spectrum    1 weight  0.11000E+01 volume  0.14122E-02 ppm1      4.075 ppm2      6.141 CV     1
  ASSI { 2633}
    (( segid "ocre" and resid 43   and name HB2 ))
    (  segid "ocre" and resid 41   and name HE% )
       3.300     1.300     1.300 peak  2633 spectrum    1 weight  0.11000E+01 volume  0.15858E-02 ppm1      3.827 ppm2      6.141 CV     1
  ASSI { 2636}
    (( segid "ocre" and resid 43   and name HA  ))
    (  segid "ocre" and resid 41   and name HE% )
       2.300     0.600     0.600 peak  2636 spectrum    1 weight  0.11000E+01 volume  0.44987E-02 ppm1      3.807 ppm2      6.141 CV     1
  ASSI { 2637}
    (( segid "ocre" and resid 19   and name HA  ))
    (  segid "ocre" and resid 17   and name HD% )
       3.400     1.500     1.500 peak  2637 spectrum    1 weight  0.11000E+01 volume  0.11050E-02 ppm1      3.615 ppm2      6.194 CV     1
  ASSI { 2640}
    (( segid "ocre" and resid 27   and name HD1 ))
    (  segid "ocre" and resid 25   and name HD% )
       3.300     3.300     2.700 peak  2640 spectrum    1 weight  0.11000E+01 volume  0.80528E-03 ppm1      4.021 ppm2      6.062 CV     1
  ASSI { 2645}
    (( segid "ocre" and resid 29   and name HB  ))
    (  segid "ocre" and resid 58   and name HE% )
       4.500     4.500     1.500 peak  2645 spectrum    1 weight  0.11000E+01 volume  0.18830E-03 ppm1      3.811 ppm2      5.795 CV     1
  ASSI { 2648}
    (( segid "ocre" and resid 35   and name HA  ))
    (  segid "ocre" and resid 33   and name HD% )
       4.100     2.100     1.900 peak  2648 spectrum    1 weight  0.11000E+01 volume  0.42211E-03 ppm1      3.944 ppm2      5.966 CV     1
  ASSI { 2649}
    (( segid "ocre" and resid 43   and name HB2 ))
    (  segid "ocre" and resid 41   and name HD% )
       4.400     2.400     1.600 peak  2649 spectrum    1 weight  0.11000E+01 volume  0.61766E-03 ppm1      3.827 ppm2      5.835 CV     1
  ASSI { 2652}
    (( segid "ocre" and resid 38   and name HA  ))
    (  segid "ocre" and resid 33   and name HD% )
       4.200     4.200     1.800 peak  2652 spectrum    1 weight  0.11000E+01 volume  0.39352E-03 ppm1      3.670 ppm2      5.962 CV     1
  ASSI { 2662}
    (( segid "ocre" and resid 60   and name HD2 ))
    (( segid "ocre" and resid 49   and name HA  ))
       3.500     1.500     1.500 peak  2662 spectrum    1 weight  0.11000E+01 volume  0.17084E-03 ppm1      3.646 ppm2      5.481 CV     1
  ASSI { 2666}
    (( segid "ocre" and resid 39   and name HB1 ))
    (( segid "ocre" and resid 48   and name HA  ))
       5.100     3.300     0.900 peak  2666 spectrum    1 weight  0.11000E+01 volume  0.25120E-03 ppm1      3.577 ppm2      5.585 CV     1
  ASSI { 2676}
    (( segid "ocre" and resid 35   and name HD2 ))
    (( segid "ocre" and resid 23   and name HA  ))
       3.300     1.300     1.300 peak  2676 spectrum    1 weight  0.11000E+01 volume  0.10897E-02 ppm1      4.078 ppm2      5.155 CV     1
  ASSI { 2677}
    (( segid "ocre" and resid 22   and name HA1 ))
    (( segid "ocre" and resid 23   and name HA  ))
       4.700     2.700     1.300 peak  2677 spectrum    1 weight  0.11000E+01 volume  0.16038E-03 ppm1      4.053 ppm2      5.147 CV     1
  ASSI { 2679}
    (( segid "ocre" and resid 22   and name HA2 ))
    (( segid "ocre" and resid 23   and name HA  ))
       4.600     2.600     1.400 peak  2679 spectrum    1 weight  0.11000E+01 volume  0.16570E-03 ppm1      3.676 ppm2      5.155 CV     1
  ASSI { 2684}
    (( segid "ocre" and resid 39   and name HB1 ))
    (( segid "ocre" and resid 39   and name HA  ))
       2.900     1.000     1.000 peak  2684 spectrum    1 weight  0.11000E+01 volume  0.22879E-02 ppm1      3.575 ppm2      5.331 CV     1
  ASSI { 2693}
    (( segid "ocre" and resid 43   and name HB1 ))
    (( segid "ocre" and resid 42   and name HA  ))
       5.300     3.500     0.700 peak  2693 spectrum    1 weight  0.11000E+01 volume  0.16437E-03 ppm1      4.074 ppm2      4.819 CV     1
  ASSI { 2701}
    (( segid "ocre" and resid 43   and name HA  ))
    (( segid "ocre" and resid 42   and name HA  ))
       4.600     2.600     1.400 peak  2701 spectrum    1 weight  0.11000E+01 volume  0.23995E-03 ppm1      3.805 ppm2      4.820 CV     1
  ASSI { 2715}
    (( segid "ocre" and resid 35   and name HD2 ))
    (( segid "ocre" and resid 34   and name HA  ))
       2.500     0.800     0.800 peak  2715 spectrum    1 weight  0.11000E+01 volume  0.52515E-02 ppm1      4.072 ppm2      4.957 CV     1
  ASSI { 2746}
    (( segid "ocre" and resid 43   and name HA  ))
    (( segid "sm_n" and resid 102  and name HA  ))
       5.000     3.200     1.000 peak  2746 spectrum    1 weight  0.11000E+01 volume  0.17406E-03 ppm1      3.799 ppm2      4.587 CV     1
  ASSI { 2757}
    (( segid "ocre" and resid 27   and name HD1 ))
    (( segid "ocre" and resid 26   and name HA  ))
       2.000     0.500     0.500 peak  2757 spectrum    1 weight  0.11000E+01 volume  0.83972E-02 ppm1      4.023 ppm2      4.649 CV     1
  ASSI { 2778}
    (( segid "ocre" and resid 57   and name HB  ))
    (( segid "ocre" and resid 57   and name HA  ))
       2.500     0.800     0.800 peak  2778 spectrum    1 weight  0.11000E+01 volume  0.51234E-02 ppm1      3.869 ppm2      4.197 CV     1
  ASSI { 2810}
    (( segid "ocre" and resid 35   and name HD2 ))
    (( segid "ocre" and resid 35   and name HD1 ))
       2.000     0.500     0.500 peak  2810 spectrum    1 weight  0.11000E+01 volume  0.93986E-02 ppm1      4.078 ppm2      4.316 CV     1
  ASSI { 2854}
    (( segid "ocre" and resid 43   and name HA  ))
    (( segid "ocre" and resid 43   and name HB1 ))
       2.300     0.700     0.700 peak  2854 spectrum    1 weight  0.11000E+01 volume  0.58416E-02 ppm1      3.807 ppm2      4.075 CV     1
  ASSI { 2857}
    (( segid "ocre" and resid 38   and name HA  ))
    (( segid "ocre" and resid 35   and name HA  ))
       3.100     1.200     1.200 peak  2857 spectrum    1 weight  0.11000E+01 volume  0.15377E-02 ppm1      3.663 ppm2      3.944 CV     1
  ASSI { 2876}
    (( segid "ocre" and resid 22   and name HA2 ))
    (( segid "ocre" and resid 22   and name HA1 ))
       1.900     0.500     0.500 peak  2876 spectrum    1 weight  0.11000E+01 volume  0.13914E-01 ppm1      3.668 ppm2      4.056 CV     1
  ASSI { 2947}
    (( segid "ocre" and resid 43   and name HB1 ))
    (( segid "ocre" and resid 46   and name HA  ))
       4.800     2.900     1.200 peak  2947 spectrum    1 weight  0.11000E+01 volume  0.32647E-03 ppm1      4.072 ppm2      3.546 CV     1
  ASSI { 2968}
    (( segid "ocre" and resid 60   and name HD1 ))
    (( segid "ocre" and resid 60   and name HD2 ))
       1.800     0.400     0.400 peak  2968 spectrum    1 weight  0.11000E+01 volume  0.15495E-01 ppm1      3.792 ppm2      3.649 CV     1
  ASSI { 2990}
    (( segid "ocre" and resid 53   and name HA1 ))
    (( segid "ocre" and resid 53   and name HA2 ))
       2.000     0.500     0.500 peak  2990 spectrum    1 weight  0.11000E+01 volume  0.11694E-01 ppm1      3.783 ppm2      3.561 CV     1
  ASSI { 3071}
    (( segid "ocre" and resid 27   and name HD1 ))
    (( segid "ocre" and resid 15   and name HB1 ))
       4.700     2.800     1.300 peak  3071 spectrum    1 weight  0.11000E+01 volume  0.24808E-03 ppm1      4.035 ppm2      3.182 CV     1
  ASSI { 3082}
    (( segid "ocre" and resid 43   and name HB1 ))
    (( segid "sm_n" and resid 102  and name HD1 ))
       4.600     2.600     1.400 peak  3082 spectrum    1 weight  0.11000E+01 volume  0.12244E-03 ppm1      4.082 ppm2      3.098 CV     1
  ASSI { 3088}
    (( segid "ocre" and resid 55   and name HA  ))
    (( segid "ocre" and resid 55   and name HE1 ))
       4.400     2.400     1.600 peak  3088 spectrum    1 weight  0.11000E+01 volume  0.43557E-03 ppm1      3.968 ppm2      2.873 CV     1
  ASSI { 3091}
    (( segid "ocre" and resid 53   and name HA2 ))
    (( segid "ocre" and resid 56   and name HA  ))
       3.400     1.500     1.500 peak  3091 spectrum    1 weight  0.11000E+01 volume  0.65172E-03 ppm1      3.561 ppm2      2.986 CV     1
  ASSI { 3103}
    (( segid "ocre" and resid 39   and name HB1 ))
    (( segid "ocre" and resid 39   and name HB2 ))
       2.100     0.500     0.500 peak  3103 spectrum    1 weight  0.11000E+01 volume  0.78737E-02 ppm1      3.575 ppm2      3.036 CV     1
  ASSI { 3117}
    (( segid "ocre" and resid 17   and name HA  ))
    (( segid "ocre" and resid 17   and name HB1 ))
       3.000     1.100     1.100 peak  3117 spectrum    1 weight  0.11000E+01 volume  0.30486E-02 ppm1      3.943 ppm2      2.789 CV     1
  ASSI { 3129}
    (( segid "ocre" and resid 39   and name HB1 ))
    (( segid "ocre" and resid 48   and name HB1 ))
       3.700     1.700     1.700 peak  3129 spectrum    1 weight  0.11000E+01 volume  0.95123E-03 ppm1      3.577 ppm2      2.760 CV     1
  ASSI { 3144}
    (( segid "ocre" and resid 12   and name HB  ))
    (( segid "ocre" and resid 12   and name HA  ))
       2.800     1.000     1.000 peak  3144 spectrum    1 weight  0.11000E+01 volume  0.22509E-02 ppm1      3.616 ppm2      2.466 CV     1
  ASSI { 3153}
    (( segid "ocre" and resid 35   and name HA  ))
    (( segid "ocre" and resid 35   and name HB1 ))
       2.300     0.700     0.700 peak  3153 spectrum    1 weight  0.11000E+01 volume  0.66279E-02 ppm1      3.944 ppm2      2.287 CV     1
  ASSI { 3156}
    (( segid "ocre" and resid 9    and name HA  ))
    (( segid "ocre" and resid 10   and name HD1 ))
       2.500     0.800     0.800 peak  3156 spectrum    1 weight  0.11000E+01 volume  0.33268E-02 ppm1      3.798 ppm2      2.464 CV     1
  ASSI { 3158}
    (( segid "ocre" and resid 38   and name HA  ))
    (( segid "ocre" and resid 38   and name HB1 ))
       2.300     0.700     0.700 peak  3158 spectrum    1 weight  0.11000E+01 volume  0.72233E-02 ppm1      3.666 ppm2      2.438 CV     1
  ASSI { 3159}
    (( segid "ocre" and resid 19   and name HA  ))
    (( segid "ocre" and resid 19   and name HG1 ))
       2.600     0.800     0.800 peak  3159 spectrum    1 weight  0.11000E+01 volume  0.41962E-02 ppm1      3.617 ppm2      2.323 CV     1
  ASSI { 3163}
    (( segid "ocre" and resid 55   and name HA  ))
    (( segid "ocre" and resid 52   and name HB1 ))
       5.200     3.400     0.800 peak  3163 spectrum    1 weight  0.11000E+01 volume  0.14134E-03 ppm1      3.953 ppm2      2.524 CV     1
  ASSI { 3168}
    (( segid "ocre" and resid 60   and name HD1 ))
    (( segid "ocre" and resid 60   and name HB1 ))
       3.400     1.400     1.400 peak  3168 spectrum    1 weight  0.11000E+01 volume  0.11865E-02 ppm1      3.788 ppm2      2.312 CV     1
  ASSI { 3170}
    (( segid "ocre" and resid 60   and name HD2 ))
    (( segid "ocre" and resid 60   and name HB1 ))
       3.500     1.600     1.600 peak  3170 spectrum    1 weight  0.11000E+01 volume  0.16359E-02 ppm1      3.645 ppm2      2.314 CV     1
  ASSI { 3198}
    (( segid "ocre" and resid 35   and name HA  ))
    (( segid "ocre" and resid 35   and name HB2 ))
       2.500     0.800     0.800 peak  3198 spectrum    1 weight  0.11000E+01 volume  0.82055E-02 ppm1      3.943 ppm2      2.067 CV     1
  ASSI { 3204}
    (( segid "ocre" and resid 9    and name HA  ))
    (( segid "ocre" and resid 10   and name HD2 ))
       2.800     1.000     1.000 peak  3204 spectrum    1 weight  0.11000E+01 volume  0.36449E-02 ppm1      3.799 ppm2      2.101 CV     1
  ASSI { 3207}
    (( segid "ocre" and resid 38   and name HA  ))
    (( segid "ocre" and resid 38   and name HG2 ))
       2.600     0.900     0.900 peak  3207 spectrum    1 weight  0.11000E+01 volume  0.34638E-02 ppm1      3.666 ppm2      2.109 CV     1
  ASSI { 3208}
    (( segid "ocre" and resid 19   and name HA  ))
    (( segid "ocre" and resid 19   and name HB1 ))
       2.200     0.600     0.600 peak  3208 spectrum    1 weight  0.11000E+01 volume  0.13625E-01 ppm1      3.616 ppm2      2.001 CV     1
  ASSI { 3219}
    (( segid "ocre" and resid 27   and name HD1 ))
    (( segid "ocre" and resid 27   and name HG1 ))
       2.000     0.500     0.500 peak  3219 spectrum    1 weight  0.11000E+01 volume  0.10244E-01 ppm1      4.034 ppm2      2.071 CV     1
  ASSI { 3220}
    (( segid "ocre" and resid 60   and name HD1 ))
    (( segid "ocre" and resid 60   and name HG1 ))
       2.500     0.800     0.800 peak  3220 spectrum    1 weight  0.11000E+01 volume  0.36520E-02 ppm1      3.788 ppm2      2.129 CV     1
  ASSI { 3222}
    (( segid "ocre" and resid 60   and name HD2 ))
    (( segid "ocre" and resid 60   and name HG1 ))
       2.800     1.000     1.000 peak  3222 spectrum    1 weight  0.11000E+01 volume  0.51296E-02 ppm1      3.645 ppm2      2.129 CV     1
  ASSI { 3252}
    (( segid "ocre" and resid 29   and name HB  ))
    (( segid "ocre" and resid 31   and name HB1 ))
       4.500     2.500     1.500 peak  3252 spectrum    1 weight  0.11000E+01 volume  0.59230E-03 ppm1      3.803 ppm2      1.683 CV     1
  ASSI { 3253}
    (( segid "ocre" and resid 57   and name HB  ))
    (( segid "ocre" and resid 55   and name HB1 ))
       4.400     2.500     1.600 peak  3253 spectrum    1 weight  0.11000E+01 volume  0.49760E-03 ppm1      3.865 ppm2      1.657 CV     1
  ASSI { 3258}
    (( segid "ocre" and resid 43   and name HB1 ))
    (( segid "sm_n" and resid 103  and name HB2 ))
       4.700     4.700     1.300 peak  3258 spectrum    1 weight  0.11000E+01 volume  0.43069E-03 ppm1      4.077 ppm2      1.838 CV     1
  ASSI { 3259}
    (( segid "ocre" and resid 43   and name HB1 ))
    (( segid "sm_n" and resid 102  and name HG1 ))
       4.600     2.600     1.400 peak  3259 spectrum    1 weight  0.11000E+01 volume  0.20602E-03 ppm1      4.077 ppm2      1.622 CV     1
  ASSI { 3261}
    (( segid "ocre" and resid 10   and name HA  ))
    (( segid "ocre" and resid 10   and name HB1 ))
       2.300     0.700     0.700 peak  3261 spectrum    1 weight  0.11000E+01 volume  0.64036E-02 ppm1      3.870 ppm2      1.803 CV     1
  ASSI { 3265}
    (( segid "ocre" and resid 37   and name HB2 ))
    (( segid "sm_n" and resid 106  and name HG1 ))
       4.400     2.500     1.600 peak  3265 spectrum    1 weight  0.11000E+01 volume  0.48908E-03 ppm1      3.676 ppm2      1.914 CV     1
  ASSI { 3268}
    (( segid "ocre" and resid 9    and name HA  ))
    (( segid "ocre" and resid 9    and name HB  ))
       2.800     1.000     1.000 peak  3268 spectrum    1 weight  0.11000E+01 volume  0.24061E-02 ppm1      3.796 ppm2      1.863 CV     1
  ASSI { 3291}
    (( segid "ocre" and resid 29   and name HB  ))
    (( segid "ocre" and resid 31   and name HB2 ))
       3.700     1.700     1.700 peak  3291 spectrum    1 weight  0.11000E+01 volume  0.47064E-03 ppm1      3.806 ppm2      1.396 CV     1
  ASSI { 3295}
    (( segid "ocre" and resid 10   and name HA  ))
    (( segid "ocre" and resid 10   and name HB2 ))
       2.900     1.100     1.100 peak  3295 spectrum    1 weight  0.11000E+01 volume  0.34742E-02 ppm1      3.871 ppm2      1.311 CV     1
  ASSI { 3303}
    (( segid "ocre" and resid 60   and name HD1 ))
    (( segid "ocre" and resid 59   and name HB  ))
       3.900     1.900     1.900 peak  3303 spectrum    1 weight  0.11000E+01 volume  0.11786E-02 ppm1      3.790 ppm2      1.340 CV     1
  ASSI { 3304}
    (( segid "ocre" and resid 60   and name HD2 ))
    (( segid "ocre" and resid 59   and name HB  ))
       2.900     1.100     1.100 peak  3304 spectrum    1 weight  0.11000E+01 volume  0.21137E-02 ppm1      3.645 ppm2      1.341 CV     1
  ASSI { 3312}
    (( segid "ocre" and resid 29   and name HB  ))
    (  segid "ocre" and resid 29   and name HG2%)
       2.200     0.600     0.600 peak  3312 spectrum    1 weight  0.11000E+01 volume  0.11853E-01 ppm1      3.807 ppm2      1.037 CV     1
  ASSI { 3333}
    (( segid "ocre" and resid 55   and name HA  ))
    (( segid "ocre" and resid 55   and name HD2 ))
       2.700     0.900     0.900 peak  3333 spectrum    1 weight  0.11000E+01 volume  0.43404E-02 ppm1      3.969 ppm2      1.210 CV     1
  ASSI { 3334}
    (( segid "ocre" and resid 55   and name HA  ))
    (( segid "ocre" and resid 55   and name HB2 ))
       3.000     1.100     1.100 peak  3334 spectrum    1 weight  0.11000E+01 volume  0.27693E-02 ppm1      3.969 ppm2      1.087 CV     1
  ASSI { 3336}
    (( segid "ocre" and resid 27   and name HD1 ))
    (( segid "ocre" and resid 26   and name HB2 ))
       4.400     2.400     1.600 peak  3336 spectrum    1 weight  0.11000E+01 volume  0.80495E-03 ppm1      4.025 ppm2      1.089 CV     1
  ASSI { 3362}
    (( segid "ocre" and resid 57   and name HB  ))
    (  segid "ocre" and resid 57   and name HG2%)
       2.200     0.600     0.600 peak  3362 spectrum    1 weight  0.11000E+01 volume  0.97961E-02 ppm1      3.868 ppm2      0.750 CV     1
  ASSI { 3366}
    (( segid "ocre" and resid 43   and name HB1 ))
    (  segid "ocre" and resid 44   and name HD2%)
       3.900     3.900     2.100 peak  3366 spectrum    1 weight  0.11000E+01 volume  0.53441E-03 ppm1      4.078 ppm2      0.846 CV     1
  ASSI { 3378}
    (( segid "ocre" and resid 9    and name HA  ))
    (  segid "ocre" and resid 9    and name HG1%)
       2.700     0.900     0.900 peak  3378 spectrum    1 weight  0.11000E+01 volume  0.34147E-02 ppm1      3.797 ppm2      0.957 CV     1
  ASSI { 3382}
    (( segid "ocre" and resid 55   and name HA  ))
    (  segid "ocre" and resid 57   and name HG2%)
       4.000     2.000     2.000 peak  3382 spectrum    1 weight  0.11000E+01 volume  0.79344E-03 ppm1      3.968 ppm2      0.752 CV     1
  ASSI { 3401}
    (( segid "ocre" and resid 29   and name HB  ))
    (  segid "ocre" and resid 31   and name HD1%)
       3.200     1.200     1.200 peak  3401 spectrum    1 weight  0.11000E+01 volume  0.11672E-02 ppm1      3.806 ppm2      0.587 CV     1
  ASSI { 3410}
    (( segid "ocre" and resid 10   and name HA  ))
    (  segid "ocre" and resid 12   and name HG2%)
       4.400     4.400     1.600 peak  3410 spectrum    1 weight  0.11000E+01 volume  0.33795E-03 ppm1      3.870 ppm2      0.587 CV     1
  ASSI { 3441}
    (( segid "ocre" and resid 29   and name HB  ))
    (  segid "ocre" and resid 31   and name HD2%)
       3.000     3.000     3.000 peak  3441 spectrum    1 weight  0.11000E+01 volume  0.25802E-02 ppm1      3.804 ppm2     -0.077 CV     1
  ASSI { 3449}
    (( segid "ocre" and resid 23   and name HB1 ))
    (  segid "ocre" and resid 32   and name HD% )
       4.200     2.200     1.800 peak  3449 spectrum    1 weight  0.11000E+01 volume  0.13161E-02 ppm1      3.451 ppm2      7.286 CV     1
  ASSI { 3455}
    (( segid "ocre" and resid 21   and name HB1 ))
    (  segid "ocre" and resid 23   and name HD% )
       3.200     1.300     1.300 peak  3455 spectrum    1 weight  0.11000E+01 volume  0.10701E-02 ppm1      3.496 ppm2      6.939 CV     1
  ASSI { 3460}
    (( segid "ocre" and resid 23   and name HB1 ))
    (  segid "ocre" and resid 23   and name HD% )
       3.200     1.300     1.300 peak  3460 spectrum    1 weight  0.11000E+01 volume  0.13117E-02 ppm1      3.450 ppm2      6.940 CV     1
  ASSI { 3467}
    (( segid "ocre" and resid 50   and name HB1 ))
    (  segid "ocre" and resid 50   and name HE% )
       4.100     2.100     1.900 peak  3467 spectrum    1 weight  0.11000E+01 volume  0.89796E-03 ppm1      3.304 ppm2      6.763 CV     1
  ASSI { 3469}
    (( segid "ocre" and resid 50   and name HB2 ))
    (  segid "ocre" and resid 50   and name HE% )
       3.800     1.800     1.800 peak  3469 spectrum    1 weight  0.11000E+01 volume  0.12764E-02 ppm1      3.056 ppm2      6.757 CV     1
  ASSI { 3473}
    (( segid "ocre" and resid 15   and name HB1 ))
    (  segid "ocre" and resid 15   and name HD% )
       2.700     0.900     0.900 peak  3473 spectrum    1 weight  0.11000E+01 volume  0.16817E-02 ppm1      3.211 ppm2      6.816 CV     1
  ASSI { 3475}
    (( segid "ocre" and resid 21   and name HB1 ))
    (  segid "ocre" and resid 23   and name HE% )
       3.600     3.600     2.400 peak  3475 spectrum    1 weight  0.11000E+01 volume  0.41835E-03 ppm1      3.500 ppm2      6.565 CV     1
  ASSI { 3479}
    (( segid "ocre" and resid 23   and name HB1 ))
    (  segid "ocre" and resid 23   and name HE% )
       4.600     2.700     1.400 peak  3479 spectrum    1 weight  0.11000E+01 volume  0.25327E-03 ppm1      3.451 ppm2      6.566 CV     1
  ASSI { 3480}
    (( segid "ocre" and resid 7    and name HB1 ))
    (  segid "ocre" and resid 58   and name HD% )
       4.900     4.900     1.100 peak  3480 spectrum    1 weight  0.11000E+01 volume  0.13155E-03 ppm1      3.239 ppm2      6.426 CV     1
  ASSI { 3490}
    (( segid "ocre" and resid 46   and name HA  ))
    (  segid "ocre" and resid 41   and name HD% )
       4.500     2.500     1.500 peak  3490 spectrum    1 weight  0.11000E+01 volume  0.31685E-03 ppm1      3.551 ppm2      5.840 CV     1
  ASSI { 3494}
    (( segid "ocre" and resid 32   and name HB1 ))
    (  segid "ocre" and resid 41   and name HD% )
       3.400     3.400     2.600 peak  3494 spectrum    1 weight  0.11000E+01 volume  0.10683E-02 ppm1      3.099 ppm2      5.830 CV     1
  ASSI { 3496}
    (( segid "ocre" and resid 7    and name HB1 ))
    (  segid "ocre" and resid 58   and name HE% )
       3.700     3.700     2.300 peak  3496 spectrum    1 weight  0.11000E+01 volume  0.43016E-03 ppm1      3.234 ppm2      5.797 CV     1
  ASSI { 3512}
    (( segid "ocre" and resid 51   and name HB1 ))
    (( segid "ocre" and resid 51   and name HE3 ))
       5.000     3.100     1.000 peak  3512 spectrum    1 weight  0.11000E+01 volume  0.28443E-03 ppm1      3.209 ppm2      5.361 CV     1
  ASSI { 3530}
    (( segid "ocre" and resid 23   and name HB1 ))
    (( segid "ocre" and resid 34   and name HA  ))
       4.100     2.100     1.900 peak  3530 spectrum    1 weight  0.11000E+01 volume  0.17148E-03 ppm1      3.445 ppm2      4.956 CV     1
  ASSI { 3532}
    (( segid "ocre" and resid 23   and name HB2 ))
    (( segid "ocre" and resid 34   and name HA  ))
       5.800     4.200     0.200 peak  3532 spectrum    1 weight  0.11000E+01 volume  0.13403E-03 ppm1      3.093 ppm2      4.940 CV     1
  ASSI { 3535}
    (( segid "ocre" and resid 51   and name HB1 ))
    (( segid "ocre" and resid 58   and name HA  ))
       5.500     3.800     0.500 peak  3535 spectrum    1 weight  0.11000E+01 volume  0.14664E-03 ppm1      3.207 ppm2      4.899 CV     1
  ASSI { 3578}
    (( segid "ocre" and resid 24   and name HB1 ))
    (( segid "ocre" and resid 17   and name HA  ))
       4.900     3.000     1.100 peak  3578 spectrum    1 weight  0.11000E+01 volume  0.16103E-03 ppm1      3.359 ppm2      3.943 CV     1
  ASSI { 3637}
    (( segid "ocre" and resid 23   and name HB2 ))
    (( segid "ocre" and resid 23   and name HB1 ))
       2.000     0.500     0.500 peak  3637 spectrum    1 weight  0.11000E+01 volume  0.77080E-02 ppm1      3.102 ppm2      3.455 CV     1
  ASSI { 3705}
    (( segid "ocre" and resid 7    and name HB1 ))
    (( segid "ocre" and resid 7    and name HB2 ))
       2.000     2.000     4.000 peak  3705 spectrum    1 weight  0.11000E+01 volume  0.10814E-01 ppm1      3.236 ppm2      2.846 CV     1
  ASSI { 3713}
    (( segid "ocre" and resid 46   and name HA  ))
    (( segid "ocre" and resid 46   and name HB1 ))
       2.800     1.000     1.000 peak  3713 spectrum    1 weight  0.11000E+01 volume  0.28917E-02 ppm1      3.552 ppm2      2.353 CV     1
  ASSI { 3715}
    (( segid "ocre" and resid 24   and name HB1 ))
    (( segid "ocre" and resid 33   and name HB2 ))
       4.300     2.300     1.700 peak  3715 spectrum    1 weight  0.11000E+01 volume  0.92847E-03 ppm1      3.350 ppm2      2.454 CV     1
  ASSI { 3716}
    (( segid "ocre" and resid 32   and name HB1 ))
    (( segid "ocre" and resid 41   and name HB2 ))
       4.000     4.000     2.000 peak  3716 spectrum    1 weight  0.11000E+01 volume  0.18201E-02 ppm1      3.115 ppm2      2.468 CV     1
  ASSI { 3733}
    (( segid "ocre" and resid 46   and name HA  ))
    (( segid "ocre" and resid 46   and name HG1 ))
       2.200     0.600     0.600 peak  3733 spectrum    1 weight  0.11000E+01 volume  0.80371E-02 ppm1      3.552 ppm2      2.192 CV     1
  ASSI { 3746}
    (( segid "ocre" and resid 42   and name HB1 ))
    (( segid "ocre" and resid 42   and name HB2 ))
       1.900     0.400     0.400 peak  3746 spectrum    1 weight  0.11000E+01 volume  0.13766E-01 ppm1      3.063 ppm2      2.037 CV     1
  ASSI { 3758}
    (( segid "ocre" and resid 21   and name HB1 ))
    (( segid "sm_n" and resid 104  and name HG1 ))
       4.400     2.500     1.600 peak  3758 spectrum    1 weight  0.11000E+01 volume  0.62006E-03 ppm1      3.502 ppm2      1.905 CV     1
  ASSI { 3767}
    (( segid "ocre" and resid 42   and name HB1 ))
    (( segid "ocre" and resid 47   and name HB2 ))
       2.900     1.100     1.100 peak  3767 spectrum    1 weight  0.11000E+01 volume  0.13110E-02 ppm1      3.064 ppm2      1.627 CV     1
  ASSI { 3768}
    (( segid "ocre" and resid 21   and name HB1 ))
    (( segid "sm_n" and resid 108  and name HG11))
       5.400     3.700     0.600 peak  3768 spectrum    1 weight  0.11000E+01 volume  0.16503E-03 ppm1      3.499 ppm2      1.366 CV     1
  ASSI { 3783}
    (( segid "ocre" and resid 21   and name HB1 ))
    (( segid "sm_n" and resid 108  and name HD11))
       4.700     2.800     1.300 peak  3783 spectrum    1 weight  0.11000E+01 volume  0.23371E-03 ppm1      3.497 ppm2      0.771 CV     1
  ASSI { 3791}
    (( segid "ocre" and resid 7    and name HB1 ))
    (  segid "ocre" and resid 29   and name HG2%)
       4.000     4.000     2.000 peak  3791 spectrum    1 weight  0.11000E+01 volume  0.25707E-03 ppm1      3.237 ppm2      1.033 CV     1
  ASSI { 3794}
    (( segid "ocre" and resid 42   and name HB1 ))
    (  segid "ocre" and resid 45   and name HG2%)
       3.700     1.800     1.800 peak  3794 spectrum    1 weight  0.11000E+01 volume  0.51169E-03 ppm1      3.065 ppm2      0.996 CV     1
  ASSI { 3795}
    (( segid "ocre" and resid 51   and name HB1 ))
    (( segid "ocre" and resid 10   and name HG1 ))
       4.800     2.900     1.200 peak  3795 spectrum    1 weight  0.11000E+01 volume  0.17197E-03 ppm1      3.213 ppm2      1.135 CV     1
  ASSI { 3800}
    (( segid "ocre" and resid 21   and name HB1 ))
    (( segid "sm_n" and resid 108  and name HG21))
       4.200     2.300     1.800 peak  3800 spectrum    1 weight  0.11000E+01 volume  0.25322E-03 ppm1      3.500 ppm2      0.848 CV     1
  ASSI { 3812}
    (( segid "ocre" and resid 30   and name HA2 ))
    (  segid "ocre" and resid 31   and name HD1%)
       4.900     3.000     1.100 peak  3812 spectrum    1 weight  0.11000E+01 volume  0.17550E-03 ppm1      3.532 ppm2      0.590 CV     1
  ASSI { 3817}
    (( segid "ocre" and resid 42   and name HB1 ))
    (  segid "ocre" and resid 31   and name HD1%)
       3.300     1.400     1.400 peak  3817 spectrum    1 weight  0.11000E+01 volume  0.30720E-02 ppm1      3.063 ppm2      0.596 CV     1
  ASSI { 3819}
    (( segid "ocre" and resid 42   and name HB1 ))
    (  segid "ocre" and resid 31   and name HD2%)
       5.300     5.300     0.700 peak  3819 spectrum    1 weight  0.11000E+01 volume  0.19533E-03 ppm1      3.070 ppm2     -0.079 CV     1
  ASSI { 3820}
    (( segid "ocre" and resid 40   and name HB2 ))
    (  segid "ocre" and resid 40   and name HD% )
       2.800     1.000     1.000 peak  3820 spectrum    1 weight  0.11000E+01 volume  0.24753E-02 ppm1      2.947 ppm2      7.248 CV     1
  ASSI { 3822}
    (( segid "ocre" and resid 48   and name HB1 ))
    (  segid "ocre" and resid 48   and name HD% )
       2.400     2.400     3.600 peak  3822 spectrum    1 weight  0.11000E+01 volume  0.45161E-02 ppm1      2.780 ppm2      7.238 CV     1
  ASSI { 3827}
    (( segid "ocre" and resid 34   and name HB1 ))
    (  segid "ocre" and resid 23   and name HD% )
       4.400     2.400     1.600 peak  3827 spectrum    1 weight  0.11000E+01 volume  0.32244E-03 ppm1      2.791 ppm2      6.939 CV     1
  ASSI { 3828}
    (( segid "ocre" and resid 52   and name HB1 ))
    (  segid "ocre" and resid 50   and name HD% )
       4.500     4.500     1.500 peak  3828 spectrum    1 weight  0.11000E+01 volume  0.28278E-03 ppm1      2.527 ppm2      7.000 CV     1
  ASSI { 3830}
    (( segid "ocre" and resid 17   and name HB1 ))
    (  segid "ocre" and resid 24   and name HE% )
       3.800     1.800     1.800 peak  3830 spectrum    1 weight  0.11000E+01 volume  0.14306E-02 ppm1      2.789 ppm2      6.982 CV     1
  ASSI { 3835}
    (( segid "ocre" and resid 18   and name HB1 ))
    (  segid "ocre" and resid 32   and name HE% )
       3.800     3.800     2.200 peak  3835 spectrum    1 weight  0.11000E+01 volume  0.73783E-03 ppm1      2.971 ppm2      6.795 CV     1
  ASSI { 3837}
    (( segid "ocre" and resid 33   and name HB1 ))
    (  segid "ocre" and resid 40   and name HE% )
       3.800     1.800     1.800 peak  3837 spectrum    1 weight  0.11000E+01 volume  0.10548E-02 ppm1      2.671 ppm2      6.871 CV     1
  ASSI { 3851}
    (( segid "ocre" and resid 51   and name HB2 ))
    (( segid "ocre" and resid 51   and name HD1 ))
       3.600     1.700     1.700 peak  3851 spectrum    1 weight  0.11000E+01 volume  0.14539E-02 ppm1      2.850 ppm2      6.895 CV     1
  ASSI { 3853}
    (( segid "ocre" and resid 34   and name HB1 ))
    (  segid "ocre" and resid 23   and name HE% )
       3.600     3.600     2.400 peak  3853 spectrum    1 weight  0.11000E+01 volume  0.70297E-03 ppm1      2.789 ppm2      6.565 CV     1
  ASSI { 3857}
    (( segid "ocre" and resid 7    and name HB2 ))
    (  segid "ocre" and resid 58   and name HD% )
       4.900     4.900     1.100 peak  3857 spectrum    1 weight  0.11000E+01 volume  0.14713E-03 ppm1      2.849 ppm2      6.428 CV     1
  ASSI { 3858}
    (( segid "ocre" and resid 58   and name HB1 ))
    (  segid "ocre" and resid 58   and name HD% )
       2.900     1.000     1.000 peak  3858 spectrum    1 weight  0.11000E+01 volume  0.22782E-02 ppm1      2.569 ppm2      6.422 CV     1
  ASSI { 3859}
    (( segid "ocre" and resid 17   and name HB1 ))
    (  segid "ocre" and resid 17   and name HE% )
       4.200     2.200     1.800 peak  3859 spectrum    1 weight  0.11000E+01 volume  0.69572E-03 ppm1      2.772 ppm2      6.507 CV     1
  ASSI { 3869}
    (( segid "ocre" and resid 7    and name HB2 ))
    (( segid "ocre" and resid 51   and name HZ3 ))
       3.400     1.500     1.500 peak  3869 spectrum    1 weight  0.11000E+01 volume  0.83774E-03 ppm1      2.847 ppm2      6.128 CV     1
  ASSI { 3871}
    (( segid "ocre" and resid 17   and name HB1 ))
    (  segid "ocre" and resid 17   and name HD% )
       2.600     0.800     0.800 peak  3871 spectrum    1 weight  0.11000E+01 volume  0.41971E-02 ppm1      2.775 ppm2      6.195 CV     1
  ASSI { 3874}
    (( segid "ocre" and resid 16   and name HG1 ))
    (  segid "ocre" and resid 25   and name HD% )
       4.100     4.100     1.900 peak  3874 spectrum    1 weight  0.11000E+01 volume  0.47594E-03 ppm1      2.560 ppm2      6.061 CV     1
  ASSI { 3877}
    (( segid "ocre" and resid 33   and name HB1 ))
    (  segid "ocre" and resid 33   and name HD% )
       2.800     1.000     1.000 peak  3877 spectrum    1 weight  0.11000E+01 volume  0.19105E-02 ppm1      2.670 ppm2      5.959 CV     1
  ASSI { 3878}
    (( segid "ocre" and resid 41   and name HB1 ))
    (  segid "ocre" and resid 41   and name HD% )
       2.600     0.900     0.900 peak  3878 spectrum    1 weight  0.11000E+01 volume  0.26219E-02 ppm1      2.659 ppm2      5.836 CV     1
  ASSI { 3880}
    (( segid "ocre" and resid 7    and name HB2 ))
    (  segid "ocre" and resid 58   and name HE% )
       4.500     2.500     1.500 peak  3880 spectrum    1 weight  0.11000E+01 volume  0.29216E-03 ppm1      2.841 ppm2      5.806 CV     1
  ASSI { 3881}
    (( segid "ocre" and resid 58   and name HB1 ))
    (  segid "ocre" and resid 58   and name HE% )
       4.600     2.600     1.400 peak  3881 spectrum    1 weight  0.11000E+01 volume  0.33537E-03 ppm1      2.566 ppm2      5.790 CV     1
  ASSI { 3886}
    (( segid "ocre" and resid 25   and name HB1 ))
    (( segid "ocre" and resid 32   and name HA  ))
       4.800     4.800     1.200 peak  3886 spectrum    1 weight  0.11000E+01 volume  0.49266E-03 ppm1      2.702 ppm2      5.490 CV     1
  ASSI { 3887}
    (( segid "ocre" and resid 33   and name HB1 ))
    (( segid "ocre" and resid 40   and name HA  ))
       4.500     4.500     1.500 peak  3887 spectrum    1 weight  0.11000E+01 volume  0.68306E-03 ppm1      2.666 ppm2      5.640 CV     1
  ASSI { 3891}
    (( segid "ocre" and resid 51   and name HB2 ))
    (( segid "ocre" and resid 51   and name HE3 ))
       3.700     1.700     1.700 peak  3891 spectrum    1 weight  0.11000E+01 volume  0.45804E-03 ppm1      2.854 ppm2      5.370 CV     1
  ASSI { 3907}
    (( segid "ocre" and resid 34   and name HB1 ))
    (( segid "ocre" and resid 34   and name HA  ))
       3.000     1.100     1.100 peak  3907 spectrum    1 weight  0.11000E+01 volume  0.20913E-02 ppm1      2.790 ppm2      4.953 CV     1
  ASSI { 3913}
    (( segid "ocre" and resid 51   and name HB2 ))
    (( segid "ocre" and resid 58   and name HA  ))
       4.300     2.300     1.700 peak  3913 spectrum    1 weight  0.11000E+01 volume  0.30972E-03 ppm1      2.855 ppm2      4.905 CV     1
  ASSI { 3917}
    (( segid "ocre" and resid 18   and name HB1 ))
    (( segid "ocre" and resid 18   and name HA  ))
       2.800     1.000     1.000 peak  3917 spectrum    1 weight  0.11000E+01 volume  0.26721E-02 ppm1      2.967 ppm2      4.728 CV     1
  ASSI { 3921}
    (( segid "ocre" and resid 26   and name HB1 ))
    (( segid "ocre" and resid 26   and name HA  ))
       3.100     1.200     1.200 peak  3921 spectrum    1 weight  0.11000E+01 volume  0.17000E-02 ppm1      2.497 ppm2      4.648 CV     1
  ASSI { 3954}
    (( segid "ocre" and resid 34   and name HB1 ))
    (( segid "ocre" and resid 35   and name HD2 ))
       4.800     2.800     1.200 peak  3954 spectrum    1 weight  0.11000E+01 volume  0.20760E-03 ppm1      2.787 ppm2      4.082 CV     1
  ASSI { 3992}
    (( segid "ocre" and resid 33   and name HB1 ))
    (( segid "ocre" and resid 24   and name HB1 ))
       3.800     1.800     1.800 peak  3992 spectrum    1 weight  0.11000E+01 volume  0.66939E-03 ppm1      2.669 ppm2      3.354 CV     1
  ASSI { 3997}
    (( segid "ocre" and resid 51   and name HB2 ))
    (( segid "ocre" and resid 51   and name HB1 ))
       2.100     0.600     0.600 peak  3997 spectrum    1 weight  0.11000E+01 volume  0.70179E-02 ppm1      2.849 ppm2      3.213 CV     1
  ASSI { 4036}
    (( segid "ocre" and resid 41   and name HB1 ))
    (( segid "ocre" and resid 32   and name HB1 ))
       3.400     3.400     2.600 peak  4036 spectrum    1 weight  0.11000E+01 volume  0.16608E-02 ppm1      2.666 ppm2      3.109 CV     1
  ASSI { 4038}
    (( segid "ocre" and resid 36   and name HB2 ))
    (( segid "ocre" and resid 36   and name HB1 ))
       1.700     0.400     0.500 peak  4038 spectrum    1 weight  0.11000E+01 volume  0.28713E-01 ppm1      2.813 ppm2      2.998 CV     1
  ASSI { 4158}
    (( segid "ocre" and resid 18   and name HB1 ))
    (( segid "ocre" and resid 18   and name HB2 ))
       2.000     0.500     0.500 peak  4158 spectrum    1 weight  0.11000E+01 volume  0.10840E-01 ppm1      2.968 ppm2      2.353 CV     1
  ASSI { 4166}
    (( segid "ocre" and resid 11   and name HB1 ))
    (( segid "ocre" and resid 11   and name HB2 ))
       2.000     0.500     0.500 peak  4166 spectrum    1 weight  0.11000E+01 volume  0.13026E-01 ppm1      2.666 ppm2      2.438 CV     1
  ASSI { 4180}
    (( segid "ocre" and resid 16   and name HG1 ))
    (( segid "ocre" and resid 16   and name HB1 ))
       2.400     0.700     0.700 peak  4180 spectrum    1 weight  0.11000E+01 volume  0.10374E-01 ppm1      2.559 ppm2      2.240 CV     1
  ASSI { 4195}
    (( segid "ocre" and resid 56   and name HA  ))
    (( segid "ocre" and resid 56   and name HB1 ))
       2.600     0.800     0.800 peak  4195 spectrum    1 weight  0.11000E+01 volume  0.35594E-02 ppm1      2.989 ppm2      2.095 CV     1
  ASSI { 4204}
    (( segid "ocre" and resid 34   and name HB1 ))
    (( segid "ocre" and resid 34   and name HB2 ))
       1.900     0.400     0.400 peak  4204 spectrum    1 weight  0.11000E+01 volume  0.10152E-01 ppm1      2.789 ppm2      2.029 CV     1
  ASSI { 4206}
    (( segid "ocre" and resid 52   and name HB1 ))
    (( segid "ocre" and resid 52   and name HB2 ))
       2.000     0.500     0.500 peak  4206 spectrum    1 weight  0.11000E+01 volume  0.10914E-01 ppm1      2.529 ppm2      2.129 CV     1
  ASSI { 4255}
    (( segid "ocre" and resid 52   and name HB1 ))
    (( segid "ocre" and resid 55   and name HG2 ))
       3.300     1.400     1.400 peak  4255 spectrum    1 weight  0.11000E+01 volume  0.91205E-03 ppm1      2.530 ppm2      1.349 CV     1
  ASSI { 4258}
    (( segid "ocre" and resid 48   and name HB1 ))
    (( segid "ocre" and resid 49   and name HB1 ))
       4.300     4.300     1.700 peak  4258 spectrum    1 weight  0.11000E+01 volume  0.39116E-03 ppm1      2.746 ppm2      1.608 CV     1
  ASSI { 4260}
    (( segid "ocre" and resid 58   and name HB1 ))
    (( segid "ocre" and resid 49   and name HB1 ))
       2.800     1.000     1.000 peak  4260 spectrum    1 weight  0.11000E+01 volume  0.11071E-02 ppm1      2.562 ppm2      1.589 CV     1
  ASSI { 4261}
    (( segid "ocre" and resid 58   and name HB1 ))
    (( segid "ocre" and resid 49   and name HB2 ))
       3.500     1.600     1.600 peak  4261 spectrum    1 weight  0.11000E+01 volume  0.10635E-02 ppm1      2.561 ppm2      1.474 CV     1
  ASSI { 4287}
    (( segid "ocre" and resid 26   and name HB1 ))
    (( segid "ocre" and resid 26   and name HB2 ))
       2.100     0.600     0.600 peak  4287 spectrum    1 weight  0.11000E+01 volume  0.69185E-02 ppm1      2.498 ppm2      1.081 CV     1
  ASSI { 4288}
    (( segid "ocre" and resid 48   and name HB1 ))
    (  segid "ocre" and resid 61   and name HB% )
       2.700     2.700     3.300 peak  4288 spectrum    1 weight  0.11000E+01 volume  0.34378E-02 ppm1      2.763 ppm2      1.231 CV     1
  ASSI { 4289}
    (( segid "ocre" and resid 11   and name HB1 ))
    (  segid "ocre" and resid 14   and name HG2%)
       3.300     1.400     1.400 peak  4289 spectrum    1 weight  0.11000E+01 volume  0.15871E-02 ppm1      2.667 ppm2      1.110 CV     1
  ASSI { 4294}
    (( segid "ocre" and resid 51   and name HB2 ))
    (( segid "ocre" and resid 10   and name HG2 ))
       3.200     3.200     2.800 peak  4294 spectrum    1 weight  0.11000E+01 volume  0.25298E-03 ppm1      2.847 ppm2      1.021 CV     1
  ASSI { 4309}
    (( segid "ocre" and resid 52   and name HB1 ))
    (  segid "ocre" and resid 59   and name HG1%)
       3.300     3.300     2.700 peak  4309 spectrum    1 weight  0.11000E+01 volume  0.10792E-02 ppm1      2.530 ppm2      0.897 CV     1
  ASSI { 4310}
    (( segid "ocre" and resid 52   and name HB1 ))
    (  segid "ocre" and resid 57   and name HG2%)
       3.500     3.500     2.500 peak  4310 spectrum    1 weight  0.11000E+01 volume  0.11842E-02 ppm1      2.529 ppm2      0.749 CV     1
  ASSI { 4337}
    (( segid "ocre" and resid 52   and name HB1 ))
    (  segid "ocre" and resid 59   and name HG2%)
       2.800     2.800     3.200 peak  4337 spectrum    1 weight  0.11000E+01 volume  0.34123E-02 ppm1      2.528 ppm2      0.593 CV     1
  ASSI { 4338}
    (( segid "ocre" and resid 48   and name HB1 ))
    (  segid "ocre" and resid 49   and name HD1%)
       3.800     3.800     2.200 peak  4338 spectrum    1 weight  0.11000E+01 volume  0.85922E-03 ppm1      2.746 ppm2      0.659 CV     1
  ASSI { 4339}
    (( segid "ocre" and resid 58   and name HB1 ))
    (  segid "ocre" and resid 49   and name HD1%)
       2.700     0.900     0.900 peak  4339 spectrum    1 weight  0.11000E+01 volume  0.26450E-02 ppm1      2.567 ppm2      0.645 CV     1
  ASSI { 4358}
    (( segid "ocre" and resid 58   and name HB1 ))
    (  segid "ocre" and resid 31   and name HD2%)
       3.800     1.800     1.800 peak  4358 spectrum    1 weight  0.11000E+01 volume  0.42175E-03 ppm1      2.576 ppm2     -0.078 CV     1
  ASSI { 4369}
    (( segid "ocre" and resid 52   and name HB2 ))
    (  segid "ocre" and resid 50   and name HD% )
       4.000     4.000     2.000 peak  4369 spectrum    1 weight  0.11000E+01 volume  0.39349E-03 ppm1      2.129 ppm2      7.001 CV     1
  ASSI { 4371}
    (( segid "ocre" and resid 34   and name HB2 ))
    (  segid "ocre" and resid 23   and name HD% )
       3.600     1.600     1.600 peak  4371 spectrum    1 weight  0.11000E+01 volume  0.41376E-03 ppm1      2.032 ppm2      6.945 CV     1
  ASSI { 4373}
    (( segid "ocre" and resid 56   and name HG1 ))
    (( segid "ocre" and resid 51   and name HZ2 ))
       3.800     1.800     1.800 peak  4373 spectrum    1 weight  0.11000E+01 volume  0.76021E-03 ppm1      2.027 ppm2      7.127 CV     1
  ASSI { 4378}
    (( segid "ocre" and resid 35   and name HG1 ))
    (  segid "ocre" and resid 24   and name HD% )
       3.300     1.300     1.300 peak  4378 spectrum    1 weight  0.11000E+01 volume  0.12360E-02 ppm1      2.113 ppm2      7.237 CV     1
  ASSI { 4384}
    (( segid "ocre" and resid 12   and name HA  ))
    (  segid "ocre" and resid 15   and name HD% )
       3.700     1.700     1.700 peak  4384 spectrum    1 weight  0.11000E+01 volume  0.27566E-03 ppm1      2.464 ppm2      6.814 CV     1
  ASSI { 4387}
    (( segid "ocre" and resid 33   and name HB2 ))
    (  segid "ocre" and resid 40   and name HE% )
       3.300     1.400     1.400 peak  4387 spectrum    1 weight  0.11000E+01 volume  0.73041E-03 ppm1      2.458 ppm2      6.856 CV     1
  ASSI { 4388}
    (( segid "ocre" and resid 18   and name HB2 ))
    (  segid "ocre" and resid 32   and name HE% )
       3.900     3.900     2.100 peak  4388 spectrum    1 weight  0.11000E+01 volume  0.64352E-03 ppm1      2.355 ppm2      6.794 CV     1
  ASSI { 4389}
    (( segid "ocre" and resid 52   and name HB2 ))
    (  segid "ocre" and resid 50   and name HE% )
       3.200     3.200     2.800 peak  4389 spectrum    1 weight  0.11000E+01 volume  0.99902E-03 ppm1      2.131 ppm2      6.771 CV     1
  ASSI { 4407}
    (( segid "ocre" and resid 33   and name HB2 ))
    (  segid "ocre" and resid 33   and name HE% )
       4.500     2.500     1.500 peak  4407 spectrum    1 weight  0.11000E+01 volume  0.40785E-03 ppm1      2.457 ppm2      6.363 CV     1
  ASSI { 4408}
    (( segid "ocre" and resid 34   and name HB2 ))
    (  segid "ocre" and resid 23   and name HE% )
       3.300     3.300     2.700 peak  4408 spectrum    1 weight  0.11000E+01 volume  0.80747E-03 ppm1      2.030 ppm2      6.567 CV     1
  ASSI { 4411}
    (( segid "ocre" and resid 38   and name HG1 ))
    (  segid "ocre" and resid 33   and name HE% )
       2.900     2.900     3.100 peak  4411 spectrum    1 weight  0.11000E+01 volume  0.54658E-03 ppm1      2.240 ppm2      6.364 CV     1
  ASSI { 4412}
    (( segid "ocre" and resid 38   and name HG2 ))
    (  segid "ocre" and resid 33   and name HE% )
       2.900     2.900     3.100 peak  4412 spectrum    1 weight  0.11000E+01 volume  0.45105E-03 ppm1      2.108 ppm2      6.364 CV     1
  ASSI { 4413}
    (( segid "ocre" and resid 27   and name HB1 ))
    (  segid "ocre" and resid 25   and name HE% )
       3.100     3.100     2.900 peak  4413 spectrum    1 weight  0.11000E+01 volume  0.20138E-02 ppm1      2.379 ppm2      6.384 CV     1
  ASSI { 4420}
    (( segid "ocre" and resid 38   and name HB1 ))
    (  segid "ocre" and resid 33   and name HE% )
       3.800     3.800     2.200 peak  4420 spectrum    1 weight  0.11000E+01 volume  0.64340E-03 ppm1      2.439 ppm2      6.366 CV     1
  ASSI { 4422}
    (( segid "ocre" and resid 27   and name HG1 ))
    (  segid "ocre" and resid 25   and name HE% )
       2.900     2.900     3.100 peak  4422 spectrum    1 weight  0.11000E+01 volume  0.19965E-02 ppm1      2.086 ppm2      6.377 CV     1
  ASSI { 4424}
    (( segid "ocre" and resid 12   and name HA  ))
    (  segid "ocre" and resid 15   and name HE% )
       4.400     4.400     1.600 peak  4424 spectrum    1 weight  0.11000E+01 volume  0.34754E-03 ppm1      2.462 ppm2      6.232 CV     1
  ASSI { 4426}
    (( segid "ocre" and resid 18   and name HB2 ))
    (  segid "ocre" and resid 25   and name HD% )
       4.600     4.600     1.400 peak  4426 spectrum    1 weight  0.11000E+01 volume  0.18576E-03 ppm1      2.359 ppm2      6.060 CV     1
  ASSI { 4428}
    (( segid "ocre" and resid 19   and name HG1 ))
    (  segid "ocre" and resid 17   and name HD% )
       2.500     2.500     3.500 peak  4428 spectrum    1 weight  0.11000E+01 volume  0.12232E-02 ppm1      2.323 ppm2      6.195 CV     1
  ASSI { 4429}
    (( segid "ocre" and resid 46   and name HG1 ))
    (  segid "ocre" and resid 41   and name HE% )
       4.300     2.300     1.700 peak  4429 spectrum    1 weight  0.11000E+01 volume  0.52758E-03 ppm1      2.190 ppm2      6.142 CV     1
  ASSI { 4433}
    (( segid "ocre" and resid 16   and name HB1 ))
    (  segid "ocre" and resid 25   and name HD% )
       3.300     3.300     2.700 peak  4433 spectrum    1 weight  0.11000E+01 volume  0.95238E-03 ppm1      2.234 ppm2      6.062 CV     1
  ASSI { 4439}
    (( segid "ocre" and resid 27   and name HG1 ))
    (  segid "ocre" and resid 25   and name HD% )
       3.000     3.000     3.000 peak  4439 spectrum    1 weight  0.11000E+01 volume  0.12913E-02 ppm1      2.071 ppm2      6.062 CV     1
  ASSI { 4444}
    (( segid "ocre" and resid 33   and name HB2 ))
    (  segid "ocre" and resid 33   and name HD% )
       3.100     1.200     1.200 peak  4444 spectrum    1 weight  0.11000E+01 volume  0.18494E-02 ppm1      2.454 ppm2      5.960 CV     1
  ASSI { 4450}
    (( segid "ocre" and resid 35   and name HB2 ))
    (  segid "ocre" and resid 33   and name HD% )
       5.400     5.400     0.600 peak  4450 spectrum    1 weight  0.11000E+01 volume  0.15645E-03 ppm1      2.055 ppm2      5.980 CV     1
  ASSI { 4453}
    (( segid "ocre" and resid 35   and name HG1 ))
    (  segid "ocre" and resid 33   and name HD% )
       3.700     1.800     1.800 peak  4453 spectrum    1 weight  0.11000E+01 volume  0.57910E-03 ppm1      2.113 ppm2      5.963 CV     1
  ASSI { 4466}
    (( segid "ocre" and resid 60   and name HG1 ))
    (( segid "ocre" and resid 49   and name HA  ))
       5.500     3.800     0.500 peak  4466 spectrum    1 weight  0.11000E+01 volume  0.12492E-03 ppm1      2.139 ppm2      5.473 CV     1
  ASSI { 4490}
    (( segid "ocre" and resid 33   and name HB2 ))
    (( segid "ocre" and resid 33   and name HA  ))
       3.000     1.100     1.100 peak  4490 spectrum    1 weight  0.11000E+01 volume  0.11439E-02 ppm1      2.455 ppm2      4.874 CV     1
  ASSI { 4513}
    (( segid "ocre" and resid 18   and name HB2 ))
    (( segid "ocre" and resid 18   and name HA  ))
       2.700     0.900     0.900 peak  4513 spectrum    1 weight  0.11000E+01 volume  0.33987E-02 ppm1      2.354 ppm2      4.728 CV     1
  ASSI { 4526}
    (( segid "ocre" and resid 60   and name HB1 ))
    (( segid "ocre" and resid 60   and name HA  ))
       2.300     0.700     0.700 peak  4526 spectrum    1 weight  0.11000E+01 volume  0.51778E-02 ppm1      2.318 ppm2      4.692 CV     1
  ASSI { 4529}
    (( segid "ocre" and resid 60   and name HB2 ))
    (( segid "ocre" and resid 60   and name HA  ))
       2.800     1.000     1.000 peak  4529 spectrum    1 weight  0.11000E+01 volume  0.30578E-02 ppm1      1.940 ppm2      4.689 CV     1
  ASSI { 4560}
    (( segid "ocre" and resid 54   and name HG2 ))
    (( segid "ocre" and resid 54   and name HA  ))
       3.100     1.200     1.200 peak  4560 spectrum    1 weight  0.11000E+01 volume  0.22599E-02 ppm1      2.104 ppm2      4.123 CV     1
  ASSI { 4581}
    (( segid "ocre" and resid 35   and name HG1 ))
    (( segid "ocre" and resid 35   and name HD1 ))
       2.300     0.700     0.700 peak  4581 spectrum    1 weight  0.11000E+01 volume  0.49911E-02 ppm1      2.114 ppm2      4.316 CV     1
  ASSI { 4601}
    (( segid "ocre" and resid 38   and name HG1 ))
    (( segid "ocre" and resid 35   and name HA  ))
       3.800     1.800     1.800 peak  4601 spectrum    1 weight  0.11000E+01 volume  0.64225E-03 ppm1      2.244 ppm2      3.946 CV     1
  ASSI { 4603}
    (( segid "ocre" and resid 27   and name HB1 ))
    (( segid "ocre" and resid 27   and name HA  ))
       2.300     0.700     0.700 peak  4603 spectrum    1 weight  0.11000E+01 volume  0.58558E-02 ppm1      2.379 ppm2      3.940 CV     1
  ASSI { 4612}
    (( segid "ocre" and resid 38   and name HB1 ))
    (( segid "ocre" and resid 35   and name HA  ))
       5.000     3.100     1.000 peak  4612 spectrum    1 weight  0.11000E+01 volume  0.18207E-03 ppm1      2.443 ppm2      3.950 CV     1
  ASSI { 4639}
    (( segid "ocre" and resid 38   and name HG1 ))
    (( segid "ocre" and resid 38   and name HA  ))
       2.900     1.000     1.000 peak  4639 spectrum    1 weight  0.11000E+01 volume  0.32848E-02 ppm1      2.237 ppm2      3.666 CV     1
  ASSI { 4644}
    (( segid "ocre" and resid 46   and name HG2 ))
    (( segid "ocre" and resid 46   and name HA  ))
       2.600     0.800     0.800 peak  4644 spectrum    1 weight  0.11000E+01 volume  0.36591E-02 ppm1      2.087 ppm2      3.559 CV     1
  ASSI { 4651}
    (( segid "ocre" and resid 60   and name HB2 ))
    (( segid "ocre" and resid 60   and name HD2 ))
       3.200     1.300     1.300 peak  4651 spectrum    1 weight  0.11000E+01 volume  0.22131E-02 ppm1      1.941 ppm2      3.650 CV     1
  ASSI { 4664}
    (( segid "ocre" and resid 46   and name HB2 ))
    (( segid "ocre" and resid 46   and name HA  ))
       2.600     0.900     0.900 peak  4664 spectrum    1 weight  0.11000E+01 volume  0.30276E-02 ppm1      2.193 ppm2      3.555 CV     1
  ASSI { 4692}
    (( segid "ocre" and resid 56   and name HG1 ))
    (( segid "ocre" and resid 56   and name HA  ))
       3.100     1.200     1.200 peak  4692 spectrum    1 weight  0.11000E+01 volume  0.17189E-02 ppm1      2.025 ppm2      2.983 CV     1
  ASSI { 4706}
    (( segid "ocre" and resid 33   and name HB2 ))
    (( segid "ocre" and resid 33   and name HB1 ))
       2.100     0.500     0.500 peak  4706 spectrum    1 weight  0.11000E+01 volume  0.76248E-02 ppm1      2.464 ppm2      2.667 CV     1
  ASSI { 4761}
    (( segid "ocre" and resid 10   and name HD2 ))
    (( segid "ocre" and resid 10   and name HD1 ))
       2.500     0.800     0.800 peak  4761 spectrum    1 weight  0.11000E+01 volume  0.24661E-02 ppm1      2.105 ppm2      2.464 CV     1
  ASSI { 4803}
    (( segid "ocre" and resid 19   and name HB1 ))
    (( segid "ocre" and resid 19   and name HG1 ))
       2.600     0.800     0.800 peak  4803 spectrum    1 weight  0.11000E+01 volume  0.89394E-02 ppm1      2.005 ppm2      2.314 CV     1
  ASSI { 4928}
    (( segid "ocre" and resid 63   and name HG1 ))
    (( segid "ocre" and resid 63   and name HG2 ))
       1.600     0.300     0.600 peak  4928 spectrum    1 weight  0.11000E+01 volume  0.38186E-01 ppm1      2.262 ppm2      2.111 CV     1
  ASSI { 4939}
    (( segid "ocre" and resid 63   and name HB1 ))
    (( segid "ocre" and resid 63   and name HG2 ))
       1.500     1.500     4.500 peak  4939 spectrum    1 weight  0.11000E+01 volume  0.12726E+00 ppm1      2.126 ppm2      2.124 CV     1
  ASSI { 4942}
    (( segid "ocre" and resid 63   and name HB2 ))
    (( segid "ocre" and resid 63   and name HB1 ))
       1.800     0.400     0.400 peak  4942 spectrum    1 weight  0.11000E+01 volume  0.19498E-01 ppm1      1.947 ppm2      2.126 CV     1
  ASSI { 4950}
    (( segid "ocre" and resid 46   and name HB1 ))
    (( segid "ocre" and resid 46   and name HB2 ))
       1.900     0.400     0.400 peak  4950 spectrum    1 weight  0.11000E+01 volume  0.16798E-01 ppm1      2.356 ppm2      2.194 CV     1
  ASSI { 5012}
    (( segid "ocre" and resid 10   and name HD1 ))
    (( segid "ocre" and resid 9    and name HB  ))
       3.900     1.900     1.900 peak  5012 spectrum    1 weight  0.11000E+01 volume  0.10547E-02 ppm1      2.461 ppm2      1.861 CV     1
  ASSI { 5013}
    (( segid "ocre" and resid 10   and name HD2 ))
    (( segid "ocre" and resid 9    and name HB  ))
       4.000     2.000     2.000 peak  5013 spectrum    1 weight  0.11000E+01 volume  0.49766E-03 ppm1      2.102 ppm2      1.860 CV     1
  ASSI { 5016}
    (( segid "ocre" and resid 52   and name HB2 ))
    (( segid "ocre" and resid 55   and name HB1 ))
       4.700     2.700     1.300 peak  5016 spectrum    1 weight  0.11000E+01 volume  0.48310E-03 ppm1      2.121 ppm2      1.650 CV     1
  ASSI { 5022}
    (( segid "ocre" and resid 47   and name HG1 ))
    (( segid "ocre" and resid 47   and name HB2 ))
       2.400     0.700     0.700 peak  5022 spectrum    1 weight  0.11000E+01 volume  0.51024E-02 ppm1      2.278 ppm2      1.628 CV     1
  ASSI { 5052}
    (( segid "ocre" and resid 52   and name HB2 ))
    (( segid "ocre" and resid 55   and name HG2 ))
       3.700     1.700     1.700 peak  5052 spectrum    1 weight  0.11000E+01 volume  0.66128E-03 ppm1      2.122 ppm2      1.347 CV     1
  ASSI { 5054}
    (( segid "ocre" and resid 42   and name HB2 ))
    (( segid "ocre" and resid 49   and name HG  ))
       4.300     2.300     1.700 peak  5054 spectrum    1 weight  0.11000E+01 volume  0.36908E-03 ppm1      2.041 ppm2      1.462 CV     1
  ASSI { 5088}
    (( segid "ocre" and resid 10   and name HD1 ))
    (( segid "ocre" and resid 10   and name HG2 ))
       3.500     1.500     1.500 peak  5088 spectrum    1 weight  0.11000E+01 volume  0.98316E-03 ppm1      2.461 ppm2      0.999 CV     1
  ASSI { 5092}
    (( segid "ocre" and resid 52   and name HB2 ))
    (( segid "ocre" and resid 55   and name HB2 ))
       3.600     1.600     1.600 peak  5092 spectrum    1 weight  0.11000E+01 volume  0.85993E-03 ppm1      2.124 ppm2      1.080 CV     1
  ASSI { 5094}
    (( segid "ocre" and resid 42   and name HB2 ))
    (  segid "ocre" and resid 45   and name HG2%)
       4.500     4.500     1.500 peak  5094 spectrum    1 weight  0.11000E+01 volume  0.32940E-03 ppm1      2.038 ppm2      0.994 CV     1
  ASSI { 5133}
    (( segid "ocre" and resid 52   and name HB2 ))
    (  segid "ocre" and resid 59   and name HG1%)
       3.500     1.600     1.600 peak  5133 spectrum    1 weight  0.11000E+01 volume  0.79874E-03 ppm1      2.129 ppm2      0.896 CV     1
  ASSI { 5134}
    (( segid "ocre" and resid 52   and name HB2 ))
    (  segid "ocre" and resid 57   and name HG2%)
       4.000     4.000     2.000 peak  5134 spectrum    1 weight  0.11000E+01 volume  0.64423E-03 ppm1      2.126 ppm2      0.749 CV     1
  ASSI { 5191}
    (( segid "ocre" and resid 12   and name HA  ))
    (  segid "ocre" and resid 12   and name HG2%)
       2.900     1.000     1.000 peak  5191 spectrum    1 weight  0.11000E+01 volume  0.20915E-02 ppm1      2.467 ppm2      0.591 CV     1
  ASSI { 5195}
    (( segid "ocre" and resid 42   and name HB2 ))
    (  segid "ocre" and resid 31   and name HD1%)
       2.500     0.800     0.800 peak  5195 spectrum    1 weight  0.11000E+01 volume  0.39734E-02 ppm1      2.038 ppm2      0.595 CV     1
  ASSI { 5199}
    (( segid "ocre" and resid 47   and name HG1 ))
    (  segid "ocre" and resid 49   and name HD1%)
       3.400     3.400     2.600 peak  5199 spectrum    1 weight  0.11000E+01 volume  0.15088E-02 ppm1      2.280 ppm2      0.645 CV     1
  ASSI { 5233}
    (( segid "ocre" and resid 31   and name HB1 ))
    (  segid "ocre" and resid 40   and name HD% )
       3.200     3.200     2.800 peak  5233 spectrum    1 weight  0.11000E+01 volume  0.10176E-02 ppm1      1.684 ppm2      7.244 CV     1
  ASSI { 5234}
    (( segid "ocre" and resid 31   and name HB2 ))
    (  segid "ocre" and resid 40   and name HD% )
       3.800     1.800     1.800 peak  5234 spectrum    1 weight  0.11000E+01 volume  0.12414E-02 ppm1      1.409 ppm2      7.246 CV     1
  ASSI { 5244}
    (( segid "ocre" and resid 31   and name HB2 ))
    (  segid "ocre" and resid 40   and name HE% )
       5.000     5.000     1.000 peak  5244 spectrum    1 weight  0.11000E+01 volume  0.18774E-03 ppm1      1.398 ppm2      6.862 CV     1
  ASSI { 5278}
    (( segid "ocre" and resid 49   and name HB1 ))
    (( segid "ocre" and resid 40   and name HA  ))
       5.500     3.700     0.500 peak  5278 spectrum    1 weight  0.11000E+01 volume  0.11963E-03 ppm1      1.577 ppm2      5.646 CV     1
  ASSI { 5282}
    (( segid "ocre" and resid 60   and name HG2 ))
    (( segid "ocre" and resid 49   and name HA  ))
       5.400     3.600     0.600 peak  5282 spectrum    1 weight  0.11000E+01 volume  0.22777E-03 ppm1      1.833 ppm2      5.475 CV     1
  ASSI { 5291}
    (( segid "ocre" and resid 49   and name HB2 ))
    (( segid "ocre" and resid 58   and name HA  ))
       5.600     3.900     0.400 peak  5291 spectrum    1 weight  0.11000E+01 volume  0.15870E-03 ppm1      1.470 ppm2      4.888 CV     1
  ASSI { 5297}
    (( segid "ocre" and resid 49   and name HB1 ))
    (( segid "ocre" and resid 60   and name HA  ))
       4.500     2.600     1.500 peak  5297 spectrum    1 weight  0.11000E+01 volume  0.39929E-03 ppm1      1.593 ppm2      4.693 CV     1
  ASSI { 5302}
    (( segid "ocre" and resid 31   and name HB2 ))
    (( segid "ocre" and resid 31   and name HA  ))
       2.900     1.000     1.000 peak  5302 spectrum    1 weight  0.11000E+01 volume  0.20447E-02 ppm1      1.407 ppm2      4.545 CV     1
  ASSI { 5334}
    (( segid "ocre" and resid 44   and name HB2 ))
    (( segid "ocre" and resid 44   and name HA  ))
       2.600     0.900     0.900 peak  5334 spectrum    1 weight  0.11000E+01 volume  0.48251E-02 ppm1      1.643 ppm2      4.292 CV     1
  ASSI { 5343}
    (( segid "ocre" and resid 6    and name HB1 ))
    (( segid "ocre" and resid 6    and name HA  ))
       2.800     1.000     1.000 peak  5343 spectrum    1 weight  0.11000E+01 volume  0.28864E-02 ppm1      1.661 ppm2      4.377 CV     1
  ASSI { 5348}
    (( segid "ocre" and resid 6    and name HG1 ))
    (( segid "ocre" and resid 6    and name HA  ))
       3.600     1.600     1.600 peak  5348 spectrum    1 weight  0.11000E+01 volume  0.75766E-03 ppm1      1.591 ppm2      4.377 CV     1
  ASSI { 5370}
    (( segid "ocre" and resid 55   and name HB1 ))
    (( segid "ocre" and resid 55   and name HA  ))
       2.600     0.800     0.800 peak  5370 spectrum    1 weight  0.11000E+01 volume  0.33931E-02 ppm1      1.655 ppm2      3.968 CV     1
  ASSI { 5375}
    (( segid "ocre" and resid 55   and name HG1 ))
    (( segid "ocre" and resid 55   and name HA  ))
       3.900     1.900     1.900 peak  5375 spectrum    1 weight  0.11000E+01 volume  0.93880E-03 ppm1      1.485 ppm2      3.967 CV     1
  ASSI { 5387}
    (( segid "ocre" and resid 60   and name HG2 ))
    (( segid "ocre" and resid 60   and name HD1 ))
       3.000     1.100     1.100 peak  5387 spectrum    1 weight  0.11000E+01 volume  0.34037E-02 ppm1      1.829 ppm2      3.790 CV     1
  ASSI { 5422}
    (( segid "ocre" and resid 55   and name HG1 ))
    (( segid "ocre" and resid 55   and name HE1 ))
       2.600     0.800     0.800 peak  5422 spectrum    1 weight  0.11000E+01 volume  0.43640E-02 ppm1      1.485 ppm2      2.870 CV     1
  ASSI { 5424}
    (( segid "ocre" and resid 49   and name HG  ))
    (( segid "ocre" and resid 42   and name HB1 ))
       4.400     2.400     1.600 peak  5424 spectrum    1 weight  0.11000E+01 volume  0.22699E-03 ppm1      1.467 ppm2      3.060 CV     1
  ASSI { 5447}
    (( segid "ocre" and resid 49   and name HG  ))
    (( segid "ocre" and resid 58   and name HB1 ))
       4.500     2.500     1.500 peak  5447 spectrum    1 weight  0.11000E+01 volume  0.29394E-03 ppm1      1.463 ppm2      2.558 CV     1
  ASSI { 5466}
    (( segid "ocre" and resid 60   and name HG2 ))
    (( segid "ocre" and resid 60   and name HB1 ))
       2.900     1.000     1.000 peak  5466 spectrum    1 weight  0.11000E+01 volume  0.42244E-02 ppm1      1.828 ppm2      2.314 CV     1
  ASSI { 5475}
    (( segid "ocre" and resid 60   and name HG2 ))
    (( segid "ocre" and resid 60   and name HG1 ))
       1.900     0.500     0.500 peak  5475 spectrum    1 weight  0.11000E+01 volume  0.13143E-01 ppm1      1.829 ppm2      2.130 CV     1
  ASSI { 5518}
    (( segid "ocre" and resid 31   and name HB2 ))
    (( segid "ocre" and resid 31   and name HB1 ))
       2.100     0.600     0.600 peak  5518 spectrum    1 weight  0.11000E+01 volume  0.54161E-02 ppm1      1.408 ppm2      1.684 CV     1
  ASSI { 5521}
    (( segid "ocre" and resid 44   and name HB2 ))
    (( segid "ocre" and resid 44   and name HB1 ))
       1.800     0.400     0.400 peak  5521 spectrum    1 weight  0.11000E+01 volume  0.19545E-01 ppm1      1.643 ppm2      1.830 CV     1
  ASSI { 5538}
    (( segid "ocre" and resid 47   and name HB1 ))
    (( segid "ocre" and resid 47   and name HB2 ))
       1.900     0.500     0.500 peak  5538 spectrum    1 weight  0.11000E+01 volume  0.13236E-01 ppm1      1.901 ppm2      1.628 CV     1
  ASSI { 5551}
    (( segid "ocre" and resid 44   and name HG  ))
    (( segid "ocre" and resid 44   and name HB1 ))
       2.400     0.700     0.700 peak  5551 spectrum    1 weight  0.11000E+01 volume  0.79285E-02 ppm1      1.606 ppm2      1.829 CV     1
  ASSI { 5611}
    (( segid "ocre" and resid 49   and name HB1 ))
    (( segid "ocre" and resid 49   and name HB2 ))
       2.100     0.500     0.500 peak  5611 spectrum    1 weight  0.11000E+01 volume  0.59683E-02 ppm1      1.592 ppm2      1.476 CV     1
  ASSI { 5643}
    (( segid "ocre" and resid 10   and name HB1 ))
    (( segid "ocre" and resid 10   and name HB2 ))
       1.900     0.500     0.500 peak  5643 spectrum    1 weight  0.11000E+01 volume  0.12440E-01 ppm1      1.805 ppm2      1.310 CV     1
  ASSI { 5689}
    (( segid "ocre" and resid 31   and name HB2 ))
    (( segid "ocre" and resid 31   and name HG  ))
       3.100     1.200     1.200 peak  5689 spectrum    1 weight  0.11000E+01 volume  0.18719E-02 ppm1      1.407 ppm2      1.177 CV     1
  ASSI { 5697}
    (( segid "ocre" and resid 10   and name HB1 ))
    (( segid "ocre" and resid 10   and name HG1 ))
       2.600     0.800     0.800 peak  5697 spectrum    1 weight  0.11000E+01 volume  0.27317E-02 ppm1      1.811 ppm2      1.138 CV     1
  ASSI { 5732}
    (( segid "ocre" and resid 44   and name HB2 ))
    (  segid "ocre" and resid 44   and name HD2%)
       2.900     1.000     1.000 peak  5732 spectrum    1 weight  0.11000E+01 volume  0.42099E-02 ppm1      1.643 ppm2      0.877 CV     1
  ASSI { 5744}
    (( segid "ocre" and resid 9    and name HB  ))
    (  segid "ocre" and resid 9    and name HG1%)
       2.300     0.700     0.700 peak  5744 spectrum    1 weight  0.11000E+01 volume  0.87349E-02 ppm1      1.866 ppm2      0.958 CV     1
  ASSI { 5745}
    (( segid "ocre" and resid 9    and name HB  ))
    (  segid "ocre" and resid 9    and name HG2%)
       2.300     0.700     0.700 peak  5745 spectrum    1 weight  0.11000E+01 volume  0.83164E-02 ppm1      1.867 ppm2      0.886 CV     1
  ASSI { 5750}
    (( segid "ocre" and resid 60   and name HG2 ))
    (  segid "ocre" and resid 59   and name HG1%)
       4.300     2.300     1.700 peak  5750 spectrum    1 weight  0.11000E+01 volume  0.58490E-03 ppm1      1.826 ppm2      0.897 CV     1
  ASSI { 5756}
    (( segid "ocre" and resid 44   and name HG  ))
    (  segid "ocre" and resid 44   and name HD2%)
       2.300     0.700     0.700 peak  5756 spectrum    1 weight  0.11000E+01 volume  0.79217E-02 ppm1      1.606 ppm2      0.869 CV     1
  ASSI { 5790}
    (( segid "ocre" and resid 31   and name HB1 ))
    (  segid "ocre" and resid 31   and name HD1%)
       3.500     1.500     1.500 peak  5790 spectrum    1 weight  0.11000E+01 volume  0.18645E-02 ppm1      1.685 ppm2      0.587 CV     1
  ASSI { 5791}
    (( segid "ocre" and resid 31   and name HB2 ))
    (  segid "ocre" and resid 31   and name HD1%)
       2.600     2.600     3.400 peak  5791 spectrum    1 weight  0.11000E+01 volume  0.29154E-02 ppm1      1.409 ppm2      0.588 CV     1
  ASSI { 5796}
    (( segid "ocre" and resid 10   and name HB1 ))
    (  segid "ocre" and resid 12   and name HG2%)
       3.900     1.900     1.900 peak  5796 spectrum    1 weight  0.11000E+01 volume  0.62665E-03 ppm1      1.814 ppm2      0.592 CV     1
  ASSI { 5807}
    (( segid "ocre" and resid 55   and name HG1 ))
    (  segid "ocre" and resid 59   and name HG2%)
       3.600     3.600     2.400 peak  5807 spectrum    1 weight  0.11000E+01 volume  0.59067E-03 ppm1      1.488 ppm2      0.593 CV     1
  ASSI { 5810}
    (( segid "ocre" and resid 49   and name HG  ))
    (  segid "ocre" and resid 49   and name HD2%)
       2.200     0.600     0.600 peak  5810 spectrum    1 weight  0.11000E+01 volume  0.10589E-01 ppm1      1.463 ppm2      0.670 CV     1
  ASSI { 5834}
    (( segid "ocre" and resid 49   and name HB1 ))
    (  segid "ocre" and resid 31   and name HD2%)
       4.800     2.900     1.200 peak  5834 spectrum    1 weight  0.11000E+01 volume  0.16061E-03 ppm1      1.588 ppm2     -0.076 CV     1
  ASSI { 5837}
    (( segid "ocre" and resid 31   and name HB1 ))
    (  segid "ocre" and resid 31   and name HD2%)
       2.700     0.900     0.900 peak  5837 spectrum    1 weight  0.11000E+01 volume  0.28009E-02 ppm1      1.682 ppm2     -0.077 CV     1
  ASSI { 5839}
    (( segid "ocre" and resid 31   and name HB2 ))
    (  segid "ocre" and resid 31   and name HD2%)
       2.900     1.000     1.000 peak  5839 spectrum    1 weight  0.11000E+01 volume  0.27349E-02 ppm1      1.406 ppm2     -0.078 CV     1
  ASSI { 5872}
    (( segid "ocre" and resid 59   and name HB  ))
    (  segid "ocre" and resid 50   and name HD% )
       4.100     4.100     1.900 peak  5872 spectrum    1 weight  0.11000E+01 volume  0.42190E-03 ppm1      1.337 ppm2      7.004 CV     1
  ASSI { 5883}
    (  segid "ocre" and resid 61   and name HB% )
    (  segid "ocre" and resid 48   and name HD% )
       2.300     2.300     3.700 peak  5883 spectrum    1 weight  0.11000E+01 volume  0.18515E-02 ppm1      1.231 ppm2      7.214 CV     1
  ASSI { 5884}
    (  segid "ocre" and resid 61   and name HB% )
    (  segid "ocre" and resid 50   and name HD% )
       2.900     2.900     3.100 peak  5884 spectrum    1 weight  0.11000E+01 volume  0.24607E-02 ppm1      1.230 ppm2      7.004 CV     1
  ASSI { 5887}
    (  segid "ocre" and resid 9    and name HG1%)
    (( segid "ocre" and resid 51   and name HZ2 ))
       3.300     3.300     2.700 peak  5887 spectrum    1 weight  0.11000E+01 volume  0.14877E-02 ppm1      0.958 ppm2      7.125 CV     1
  ASSI { 5888}
    (  segid "ocre" and resid 59   and name HG1%)
    (  segid "ocre" and resid 50   and name HD% )
       3.800     3.800     2.200 peak  5888 spectrum    1 weight  0.11000E+01 volume  0.52773E-03 ppm1      0.900 ppm2      6.996 CV     1
  ASSI { 5895}
    (( segid "ocre" and resid 26   and name HB2 ))
    (  segid "ocre" and resid 15   and name HD% )
       3.900     1.900     1.900 peak  5895 spectrum    1 weight  0.11000E+01 volume  0.29082E-03 ppm1      1.074 ppm2      6.825 CV     1
  ASSI { 5897}
    (( segid "ocre" and resid 59   and name HB  ))
    (  segid "ocre" and resid 50   and name HE% )
       3.800     1.800     1.800 peak  5897 spectrum    1 weight  0.11000E+01 volume  0.65711E-03 ppm1      1.339 ppm2      6.771 CV     1
  ASSI { 5898}
    (( segid "ocre" and resid 10   and name HB2 ))
    (  segid "ocre" and resid 40   and name HE% )
       4.500     2.600     1.500 peak  5898 spectrum    1 weight  0.11000E+01 volume  0.19320E-03 ppm1      1.311 ppm2      6.880 CV     1
  ASSI { 5901}
    (( segid "ocre" and resid 10   and name HG1 ))
    (  segid "ocre" and resid 40   and name HE% )
       4.100     2.100     1.900 peak  5901 spectrum    1 weight  0.11000E+01 volume  0.26161E-03 ppm1      1.142 ppm2      6.893 CV     1
  ASSI { 5902}
    (( segid "ocre" and resid 10   and name HG2 ))
    (  segid "ocre" and resid 40   and name HE% )
       4.500     2.600     1.500 peak  5902 spectrum    1 weight  0.11000E+01 volume  0.12949E-03 ppm1      1.024 ppm2      6.882 CV     1
  ASSI { 5911}
    (  segid "ocre" and resid 61   and name HB% )
    (  segid "ocre" and resid 50   and name HE% )
       2.000     2.000     4.000 peak  5911 spectrum    1 weight  0.11000E+01 volume  0.43430E-02 ppm1      1.229 ppm2      6.744 CV     1
  ASSI { 5974}
    (( segid "ocre" and resid 10   and name HG1 ))
    (  segid "ocre" and resid 15   and name HE% )
       5.400     3.600     0.600 peak  5974 spectrum    1 weight  0.11000E+01 volume  0.10745E-03 ppm1      1.134 ppm2      6.230 CV     1
  ASSI { 6013}
    (  segid "ocre" and resid 29   and name HG2%)
    (  segid "ocre" and resid 58   and name HE% )
       3.300     3.300     2.700 peak  6013 spectrum    1 weight  0.11000E+01 volume  0.12263E-02 ppm1      1.034 ppm2      5.797 CV     1
  ASSI { 6192}
    (( segid "ocre" and resid 6    and name HD1 ))
    (( segid "ocre" and resid 6    and name HA  ))
       3.600     1.600     1.600 peak  6192 spectrum    1 weight  0.11000E+01 volume  0.15164E-02 ppm1      1.251 ppm2      4.377 CV     1
  ASSI { 6202}
    (  segid "ocre" and resid 2    and name HB% )
    (( segid "ocre" and resid 2    and name HA  ))
       2.100     2.100     3.900 peak  6202 spectrum    1 weight  0.11000E+01 volume  0.15380E-01 ppm1      1.305 ppm2      4.313 CV     1
  ASSI { 6246}
    (( segid "ocre" and resid 55   and name HG2 ))
    (( segid "ocre" and resid 55   and name HA  ))
       3.300     1.400     1.400 peak  6246 spectrum    1 weight  0.11000E+01 volume  0.10271E-02 ppm1      1.375 ppm2      3.968 CV     1
  ASSI { 6249}
    (( segid "ocre" and resid 55   and name HD1 ))
    (( segid "ocre" and resid 55   and name HA  ))
       2.800     1.000     1.000 peak  6249 spectrum    1 weight  0.11000E+01 volume  0.21155E-02 ppm1      1.309 ppm2      3.968 CV     1
  ASSI { 6262}
    (  segid "ocre" and resid 44   and name HD2%)
    (( segid "ocre" and resid 43   and name HB2 ))
       2.900     2.900     3.100 peak  6262 spectrum    1 weight  0.11000E+01 volume  0.48485E-03 ppm1      0.859 ppm2      3.804 CV     1
  ASSI { 6263}
    (  segid "ocre" and resid 28   and name HG2%)
    (( segid "ocre" and resid 28   and name HA  ))
       2.500     0.800     0.800 peak  6263 spectrum    1 weight  0.11000E+01 volume  0.58466E-02 ppm1      1.214 ppm2      4.057 CV     1
  ASSI { 6307}
    (  segid "ocre" and resid 9    and name HG2%)
    (( segid "ocre" and resid 9    and name HA  ))
       2.500     0.800     0.800 peak  6307 spectrum    1 weight  0.11000E+01 volume  0.50396E-02 ppm1      0.895 ppm2      3.793 CV     1
  ASSI { 6365}
    (( segid "ocre" and resid 55   and name HD1 ))
    (( segid "ocre" and resid 55   and name HE1 ))
       2.900     1.100     1.100 peak  6365 spectrum    1 weight  0.11000E+01 volume  0.25204E-02 ppm1      1.309 ppm2      2.874 CV     1
  ASSI { 6366}
    (( segid "ocre" and resid 55   and name HD2 ))
    (( segid "ocre" and resid 55   and name HE1 ))
       2.800     0.900     0.900 peak  6366 spectrum    1 weight  0.11000E+01 volume  0.24359E-02 ppm1      1.209 ppm2      2.873 CV     1
  ASSI { 6436}
    (( segid "ocre" and resid 10   and name HB2 ))
    (( segid "ocre" and resid 10   and name HD1 ))
       3.800     1.800     1.800 peak  6436 spectrum    1 weight  0.11000E+01 volume  0.10854E-02 ppm1      1.308 ppm2      2.456 CV     1
  ASSI { 6442}
    (( segid "ocre" and resid 10   and name HG1 ))
    (( segid "ocre" and resid 10   and name HD1 ))
       2.800     1.000     1.000 peak  6442 spectrum    1 weight  0.11000E+01 volume  0.17925E-02 ppm1      1.136 ppm2      2.463 CV     1
  ASSI { 6462}
    (  segid "ocre" and resid 45   and name HG2%)
    (( segid "ocre" and resid 47   and name HG1 ))
       3.700     1.700     1.700 peak  6462 spectrum    1 weight  0.11000E+01 volume  0.11528E-02 ppm1      0.996 ppm2      2.262 CV     1
  ASSI { 6494}
    (( segid "ocre" and resid 10   and name HB2 ))
    (( segid "ocre" and resid 10   and name HD2 ))
       3.600     1.700     1.700 peak  6494 spectrum    1 weight  0.11000E+01 volume  0.59227E-03 ppm1      1.309 ppm2      2.101 CV     1
  ASSI { 6506}
    (( segid "ocre" and resid 10   and name HG1 ))
    (( segid "ocre" and resid 10   and name HD2 ))
       3.600     1.600     1.600 peak  6506 spectrum    1 weight  0.11000E+01 volume  0.11518E-02 ppm1      1.138 ppm2      2.093 CV     1
  ASSI { 6507}
    (( segid "ocre" and resid 10   and name HG2 ))
    (( segid "ocre" and resid 10   and name HD2 ))
       3.100     1.200     1.200 peak  6507 spectrum    1 weight  0.11000E+01 volume  0.10530E-02 ppm1      1.016 ppm2      2.099 CV     1
  ASSI { 6570}
    (  segid "ocre" and resid 44   and name HD1%)
    (( segid "ocre" and resid 44   and name HB1 ))
       2.700     0.900     0.900 peak  6570 spectrum    1 weight  0.11000E+01 volume  0.48245E-02 ppm1      0.905 ppm2      1.830 CV     1
  ASSI { 6572}
    (  segid "ocre" and resid 44   and name HD2%)
    (( segid "ocre" and resid 44   and name HB1 ))
       2.700     2.700     3.300 peak  6572 spectrum    1 weight  0.11000E+01 volume  0.33567E-02 ppm1      0.853 ppm2      1.831 CV     1
  ASSI { 6575}
    (  segid "ocre" and resid 45   and name HG2%)
    (( segid "ocre" and resid 47   and name HB2 ))
       2.900     2.900     3.100 peak  6575 spectrum    1 weight  0.11000E+01 volume  0.45963E-02 ppm1      1.000 ppm2      1.622 CV     1
  ASSI { 6786}
    (( segid "ocre" and resid 10   and name HB2 ))
    (( segid "ocre" and resid 10   and name HG1 ))
       2.800     1.000     1.000 peak  6786 spectrum    1 weight  0.11000E+01 volume  0.51065E-02 ppm1      1.306 ppm2      1.139 CV     1
  ASSI { 6787}
    (( segid "ocre" and resid 10   and name HB2 ))
    (( segid "ocre" and resid 10   and name HG2 ))
       2.700     0.900     0.900 peak  6787 spectrum    1 weight  0.11000E+01 volume  0.24149E-02 ppm1      1.308 ppm2      1.017 CV     1
  ASSI { 6903}
    (( segid "ocre" and resid 59   and name HB  ))
    (  segid "ocre" and resid 59   and name HG1%)
       2.400     0.700     0.700 peak  6903 spectrum    1 weight  0.11000E+01 volume  0.67735E-02 ppm1      1.339 ppm2      0.898 CV     1
  ASSI { 6993}
    (( segid "ocre" and resid 10   and name HB2 ))
    (  segid "ocre" and resid 12   and name HG2%)
       3.100     3.100     2.900 peak  6993 spectrum    1 weight  0.11000E+01 volume  0.13257E-02 ppm1      1.313 ppm2      0.590 CV     1
  ASSI { 6998}
    (( segid "ocre" and resid 55   and name HG2 ))
    (  segid "ocre" and resid 59   and name HG2%)
       3.600     3.600     2.400 peak  6998 spectrum    1 weight  0.11000E+01 volume  0.99440E-03 ppm1      1.371 ppm2      0.594 CV     1
  ASSI { 7003}
    (( segid "ocre" and resid 31   and name HG  ))
    (  segid "ocre" and resid 31   and name HD1%)
       2.400     0.700     0.700 peak  7003 spectrum    1 weight  0.11000E+01 volume  0.60026E-02 ppm1      1.168 ppm2      0.587 CV     1
  ASSI { 7082}
    (( segid "ocre" and resid 31   and name HG  ))
    (  segid "ocre" and resid 31   and name HD2%)
       2.500     0.800     0.800 peak  7082 spectrum    1 weight  0.11000E+01 volume  0.49287E-02 ppm1      1.167 ppm2     -0.078 CV     1
  ASSI { 7119}
    (  segid "ocre" and resid 31   and name HD1%)
    (  segid "ocre" and resid 40   and name HD% )
       4.000     4.000     2.000 peak  7119 spectrum    1 weight  0.11000E+01 volume  0.80649E-03 ppm1      0.588 ppm2      7.249 CV     1
  ASSI { 7120}
    (  segid "ocre" and resid 57   and name HG2%)
    (  segid "ocre" and resid 7    and name HD% )
       4.700     4.700     1.300 peak  7120 spectrum    1 weight  0.11000E+01 volume  0.20771E-03 ppm1      0.758 ppm2      7.239 CV     1
  ASSI { 7136}
    (  segid "ocre" and resid 57   and name HG2%)
    (  segid "ocre" and resid 7    and name HE% )
       5.100     5.100     0.900 peak  7136 spectrum    1 weight  0.11000E+01 volume  0.12211E-03 ppm1      0.761 ppm2      6.805 CV     1
  ASSI { 7153}
    (  segid "ocre" and resid 12   and name HG2%)
    (  segid "ocre" and resid 33   and name HD% )
       3.800     1.800     1.800 peak  7153 spectrum    1 weight  0.11000E+01 volume  0.43892E-03 ppm1      0.591 ppm2      5.962 CV     1
  ASSI { 7157}
    (  segid "ocre" and resid 49   and name HD2%)
    (( segid "ocre" and resid 49   and name HA  ))
       3.200     1.300     1.300 peak  7157 spectrum    1 weight  0.11000E+01 volume  0.99778E-03 ppm1      0.685 ppm2      5.479 CV     1
  ASSI { 7170}
    (  segid "ocre" and resid 57   and name HG2%)
    (( segid "ocre" and resid 58   and name HA  ))
       4.200     2.200     1.800 peak  7170 spectrum    1 weight  0.11000E+01 volume  0.29519E-03 ppm1      0.753 ppm2      4.895 CV     1
  ASSI { 7177}
    (  segid "ocre" and resid 49   and name HD2%)
    (( segid "ocre" and resid 60   and name HA  ))
       3.500     3.500     2.500 peak  7177 spectrum    1 weight  0.11000E+01 volume  0.71372E-03 ppm1      0.686 ppm2      4.688 CV     1
  ASSI { 7179}
    (  segid "ocre" and resid 49   and name HD1%)
    (( segid "ocre" and resid 60   and name HA  ))
       2.800     1.000     1.000 peak  7179 spectrum    1 weight  0.11000E+01 volume  0.68214E-02 ppm1      0.631 ppm2      4.691 CV     1
  ASSI { 7188}
    (  segid "ocre" and resid 31   and name HD1%)
    (( segid "ocre" and resid 29   and name HA  ))
       4.800     2.900     1.200 peak  7188 spectrum    1 weight  0.11000E+01 volume  0.22881E-03 ppm1      0.590 ppm2      4.247 CV     1
  ASSI { 7201}
    (  segid "ocre" and resid 31   and name HD1%)
    (( segid "ocre" and resid 30   and name HA1 ))
       4.500     4.500     1.500 peak  7201 spectrum    1 weight  0.11000E+01 volume  0.14381E-03 ppm1      0.589 ppm2      4.011 CV     1
  ASSI { 7214}
    (  segid "ocre" and resid 49   and name HD1%)
    (( segid "ocre" and resid 60   and name HD1 ))
       3.200     1.200     1.200 peak  7214 spectrum    1 weight  0.11000E+01 volume  0.16993E-02 ppm1      0.633 ppm2      3.792 CV     1
  ASSI { 7215}
    (  segid "ocre" and resid 49   and name HD1%)
    (( segid "ocre" and resid 60   and name HD2 ))
       4.000     2.000     2.000 peak  7215 spectrum    1 weight  0.11000E+01 volume  0.92311E-03 ppm1      0.630 ppm2      3.648 CV     1
  ASSI { 7217}
    (  segid "ocre" and resid 59   and name HG2%)
    (( segid "ocre" and resid 60   and name HD1 ))
       3.700     1.800     1.800 peak  7217 spectrum    1 weight  0.11000E+01 volume  0.12155E-02 ppm1      0.594 ppm2      3.792 CV     1
  ASSI { 7218}
    (  segid "ocre" and resid 12   and name HG2%)
    (( segid "ocre" and resid 12   and name HB  ))
       2.300     0.600     0.600 peak  7218 spectrum    1 weight  0.11000E+01 volume  0.90145E-02 ppm1      0.590 ppm2      3.623 CV     1
  ASSI { 7240}
    (  segid "ocre" and resid 49   and name HD2%)
    (( segid "ocre" and resid 58   and name HB1 ))
       2.900     1.000     1.000 peak  7240 spectrum    1 weight  0.11000E+01 volume  0.19182E-02 ppm1      0.686 ppm2      2.559 CV     1
  ASSI { 7251}
    (  segid "ocre" and resid 49   and name HD1%)
    (( segid "ocre" and resid 60   and name HB1 ))
       3.000     1.100     1.100 peak  7251 spectrum    1 weight  0.11000E+01 volume  0.26476E-02 ppm1      0.633 ppm2      2.301 CV     1
  ASSI { 7259}
    (  segid "ocre" and resid 49   and name HD1%)
    (( segid "ocre" and resid 60   and name HG1 ))
       3.500     1.500     1.500 peak  7259 spectrum    1 weight  0.11000E+01 volume  0.10606E-02 ppm1      0.638 ppm2      2.128 CV     1
  ASSI { 7263}
    (  segid "ocre" and resid 59   and name HG2%)
    (( segid "ocre" and resid 52   and name HB2 ))
       2.600     0.900     0.900 peak  7263 spectrum    1 weight  0.11000E+01 volume  0.40749E-02 ppm1      0.593 ppm2      2.128 CV     1
  ASSI { 7266}
    (  segid "ocre" and resid 49   and name HD1%)
    (( segid "ocre" and resid 60   and name HB2 ))
       3.500     3.500     2.500 peak  7266 spectrum    1 weight  0.11000E+01 volume  0.24162E-02 ppm1      0.633 ppm2      1.921 CV     1
  ASSI { 7267}
    (  segid "ocre" and resid 49   and name HD1%)
    (( segid "ocre" and resid 60   and name HG2 ))
       3.300     3.300     2.700 peak  7267 spectrum    1 weight  0.11000E+01 volume  0.26917E-02 ppm1      0.633 ppm2      1.834 CV     1
  ASSI { 7271}
    (  segid "ocre" and resid 57   and name HG2%)
    (( segid "ocre" and resid 55   and name HB1 ))
       2.400     0.700     0.700 peak  7271 spectrum    1 weight  0.11000E+01 volume  0.52897E-02 ppm1      0.754 ppm2      1.654 CV     1
  ASSI { 7276}
    (  segid "ocre" and resid 49   and name HD2%)
    (( segid "ocre" and resid 49   and name HB1 ))
       2.500     0.800     0.800 peak  7276 spectrum    1 weight  0.11000E+01 volume  0.37967E-02 ppm1      0.685 ppm2      1.599 CV     1
  ASSI { 7279}
    (  segid "ocre" and resid 49   and name HD1%)
    (( segid "ocre" and resid 49   and name HB1 ))
       2.600     2.600     3.400 peak  7279 spectrum    1 weight  0.11000E+01 volume  0.44339E-02 ppm1      0.634 ppm2      1.599 CV     1
  ASSI { 7280}
    (  segid "ocre" and resid 49   and name HD1%)
    (( segid "ocre" and resid 49   and name HB2 ))
       2.300     2.300     3.700 peak  7280 spectrum    1 weight  0.11000E+01 volume  0.75346E-02 ppm1      0.633 ppm2      1.464 CV     1
  ASSI { 7282}
    (  segid "ocre" and resid 59   and name HG2%)
    (( segid "ocre" and resid 59   and name HB  ))
       2.300     0.700     0.700 peak  7282 spectrum    1 weight  0.11000E+01 volume  0.78805E-02 ppm1      0.591 ppm2      1.341 CV     1
  ASSI { 7309}
    (  segid "ocre" and resid 57   and name HG2%)
    (( segid "ocre" and resid 55   and name HB2 ))
       2.700     0.900     0.900 peak  7309 spectrum    1 weight  0.11000E+01 volume  0.52267E-02 ppm1      0.752 ppm2      1.080 CV     1
  ASSI { 7353}
    (  segid "ocre" and resid 59   and name HG2%)
    (  segid "ocre" and resid 59   and name HG1%)
       2.200     2.200     3.800 peak  7353 spectrum    1 weight  0.11000E+01 volume  0.13475E-01 ppm1      0.592 ppm2      0.898 CV     1
  ASSI { 7466}
    (  segid "ocre" and resid 49   and name HD2%)
    (  segid "ocre" and resid 31   and name HD2%)
       3.000     3.000     3.000 peak  7466 spectrum    1 weight  0.11000E+01 volume  0.27666E-02 ppm1      0.684 ppm2     -0.078 CV     1
  ASSI { 7475}
    (  segid "ocre" and resid 31   and name HD1%)
    (  segid "ocre" and resid 31   and name HD2%)
       2.400     0.700     0.700 peak  7475 spectrum    1 weight  0.11000E+01 volume  0.72976E-02 ppm1      0.585 ppm2     -0.077 CV     1
  ASSI { 7494}
    (  segid "ocre" and resid 31   and name HD2%)
    (  segid "ocre" and resid 58   and name HE% )
       3.500     1.500     1.500 peak  7494 spectrum    1 weight  0.11000E+01 volume  0.67211E-03 ppm1     -0.078 ppm2      5.796 CV     1
  ASSI { 7495}
    (  segid "ocre" and resid 31   and name HD2%)
    (( segid "ocre" and resid 40   and name HA  ))
       5.000     3.100     1.000 peak  7495 spectrum    1 weight  0.11000E+01 volume  0.17092E-03 ppm1     -0.078 ppm2      5.656 CV     1
  ASSI { 7504}
    (  segid "ocre" and resid 31   and name HD2%)
    (( segid "ocre" and resid 40   and name HB2 ))
       3.700     1.700     1.700 peak  7504 spectrum    1 weight  0.11000E+01 volume  0.13488E-02 ppm1     -0.079 ppm2      2.943 CV     1
  ASSI { 7513}
    (  segid "ocre" and resid 31   and name HD2%)
    (( segid "ocre" and resid 42   and name HB2 ))
       4.200     2.200     1.800 peak  7513 spectrum    1 weight  0.11000E+01 volume  0.23535E-03 ppm1     -0.085 ppm2      2.022 CV     1
  ASSI { 7530}
    (  segid "ocre" and resid 31   and name HD2%)
    (  segid "ocre" and resid 29   and name HG2%)
       2.400     2.400     3.600 peak  7530 spectrum    1 weight  0.11000E+01 volume  0.16169E-02 ppm1     -0.081 ppm2      1.037 CV     1
  ASSI { 7583}
    (( segid "ocre" and resid 31   and name HG  ))
    (( segid "ocre" and resid 31   and name HB1 ))
       2.700     0.900     0.900 peak  7583 spectrum    1 weight  0.11000E+01 volume  0.22373E-02 ppm1      1.171 ppm2      1.701 CV     1
  ASSI { 7588}
    (  segid "ocre" and resid 44   and name HD1%)
    (( segid "ocre" and resid 44   and name HA  ))
       3.000     3.000     3.000 peak  7588 spectrum    1 weight  0.11000E+01 volume  0.27068E-02 ppm1      0.893 ppm2      4.316 CV     1
  ASSI { 7593}
    (( segid "ocre" and resid 49   and name HG  ))
    (( segid "ocre" and resid 60   and name HA  ))
       3.500     1.500     1.500 peak  7593 spectrum    1 weight  0.11000E+01 volume  0.12937E-02 ppm1      1.469 ppm2      4.707 CV     1
  ASSI { 7594}
    (( segid "ocre" and resid 49   and name HG  ))
    (( segid "ocre" and resid 49   and name HA  ))
       3.100     1.200     1.200 peak  7594 spectrum    1 weight  0.11000E+01 volume  0.12250E-02 ppm1      1.469 ppm2      5.508 CV     1
  ASSI { 7599}
    (( segid "ocre" and resid 60   and name HG2 ))
    (( segid "ocre" and resid 60   and name HA  ))
       3.500     1.500     1.500 peak  7599 spectrum    1 weight  0.11000E+01 volume  0.14081E-02 ppm1      1.842 ppm2      4.707 CV     1
  ASSI { 7603}
    (( segid "ocre" and resid 60   and name HG1 ))
    (( segid "ocre" and resid 60   and name HA  ))
       3.400     1.500     1.500 peak  7603 spectrum    1 weight  0.11000E+01 volume  0.12828E-02 ppm1      2.147 ppm2      4.688 CV     1
  ASSI { 7607}
    (( segid "ocre" and resid 16   and name HB1 ))
    (( segid "ocre" and resid 16   and name HB2 ))
       1.500     0.300     0.700 peak  7607 spectrum    1 weight  0.11000E+01 volume  0.66418E-01 ppm1      2.239 ppm2      2.237 CV     1
  ASSI { 7610}
    (( segid "ocre" and resid 22   and name HA1 ))
    (  segid "ocre" and resid 17   and name HE% )
       3.700     1.700     1.700 peak  7610 spectrum    1 weight  0.11000E+01 volume  0.10551E-02 ppm1      4.051 ppm2      6.504 CV     1
  ASSI { 7612}
    (( segid "ocre" and resid 30   and name HA2 ))
    (( segid "ocre" and resid 30   and name HA1 ))
       2.000     0.500     0.500 peak  7612 spectrum    1 weight  0.11000E+01 volume  0.11558E-01 ppm1      3.538 ppm2      4.003 CV     1
  ASSI { 7625}
    (( segid "ocre" and resid 53   and name HA2 ))
    (( segid "ocre" and resid 51   and name HD1 ))
       4.300     2.300     1.700 peak  7625 spectrum    1 weight  0.11000E+01 volume  0.30543E-03 ppm1      3.556 ppm2      6.917 CV     1
  ASSI { 7629}
    (( segid "ocre" and resid 53   and name HA1 ))
    (( segid "ocre" and resid 56   and name HA  ))
       4.900     3.000     1.100 peak  7629 spectrum    1 weight  0.11000E+01 volume  0.34188E-03 ppm1      3.782 ppm2      2.985 CV     1
  ASSI { 7633}
    (( segid "ocre" and resid 53   and name HA1 ))
    (( segid "ocre" and resid 51   and name HD1 ))
       4.400     2.400     1.600 peak  7633 spectrum    1 weight  0.11000E+01 volume  0.25290E-03 ppm1      3.778 ppm2      6.918 CV     1
  ASSI { 7649}
    (( segid "ocre" and resid 37   and name HA  ))
    (  segid "ocre" and resid 39   and name HD% )
       3.400     3.400     2.600 peak  7649 spectrum    1 weight  0.11000E+01 volume  0.13310E-02 ppm1      4.194 ppm2      7.225 CV     1
  ASSI { 7652}
    (( segid "ocre" and resid 43   and name HB2 ))
    (( segid "ocre" and resid 43   and name HB1 ))
       1.800     0.400     0.400 peak  7652 spectrum    1 weight  0.11000E+01 volume  0.14344E-01 ppm1      3.833 ppm2      4.082 CV     1
  ASSI { 7653}
    (( segid "ocre" and resid 64   and name HA  ))
    (( segid "ocre" and resid 64   and name HB1 ))
       2.400     0.700     0.700 peak  7653 spectrum    1 weight  0.11000E+01 volume  0.81756E-02 ppm1      4.209 ppm2      3.852 CV     1
  ASSI { 7675}
    (( segid "ocre" and resid 34   and name HA  ))
    (( segid "ocre" and resid 34   and name HB2 ))
       2.600     0.800     0.800 peak  7675 spectrum    1 weight  0.11000E+01 volume  0.26598E-02 ppm1      4.952 ppm2      2.031 CV     1
  ASSI { 7683}
    (( segid "ocre" and resid 47   and name HG1 ))
    (( segid "ocre" and resid 47   and name HB1 ))
       2.600     0.900     0.900 peak  7683 spectrum    1 weight  0.11000E+01 volume  0.61283E-02 ppm1      2.274 ppm2      1.898 CV     1
  ASSI { 7691}
    (( segid "ocre" and resid 56   and name HB1 ))
    (( segid "ocre" and resid 51   and name HH2 ))
       3.700     1.700     1.700 peak  7691 spectrum    1 weight  0.11000E+01 volume  0.57951E-03 ppm1      2.106 ppm2      6.683 CV     1
  ASSI { 7699}
    (( segid "ocre" and resid 6    and name HB1 ))
    (( segid "ocre" and resid 6    and name HB2 ))
       1.500     0.300     0.700 peak  7699 spectrum    1 weight  0.11000E+01 volume  0.65767E-01 ppm1      1.641 ppm2      1.632 CV     1
  ASSI { 7700}
    (( segid "ocre" and resid 55   and name HG2 ))
    (( segid "ocre" and resid 55   and name HE1 ))
       2.700     0.900     0.900 peak  7700 spectrum    1 weight  0.11000E+01 volume  0.45330E-02 ppm1      1.371 ppm2      2.867 CV     1
  ASSI { 7702}
    (( segid "ocre" and resid 6    and name HG1 ))
    (( segid "ocre" and resid 6    and name HE1 ))
       3.100     1.200     1.200 peak  7702 spectrum    1 weight  0.11000E+01 volume  0.25283E-02 ppm1      1.586 ppm2      2.895 CV     1
  ASSI { 7703}
    (( segid "ocre" and resid 6    and name HB2 ))
    (( segid "ocre" and resid 6    and name HG1 ))
       1.500     1.500     4.500 peak  7703 spectrum    1 weight  0.11000E+01 volume  0.99053E-01 ppm1      1.631 ppm2      1.627 CV     1
  ASSI { 7704}
    (( segid "ocre" and resid 6    and name HD1 ))
    (( segid "ocre" and resid 6    and name HE1 ))
       3.000     1.100     1.100 peak  7704 spectrum    1 weight  0.11000E+01 volume  0.18724E-02 ppm1      1.244 ppm2      2.894 CV     1
  ASSI { 7705}
    (( segid "ocre" and resid 27   and name HB2 ))
    (( segid "ocre" and resid 27   and name HA  ))
       2.900     1.100     1.100 peak  7705 spectrum    1 weight  0.11000E+01 volume  0.38266E-02 ppm1      2.007 ppm2      3.940 CV     1
  ASSI { 7707}
    (( segid "ocre" and resid 58   and name HB1 ))
    (( segid "ocre" and resid 58   and name HB2 ))
       1.800     0.400     0.400 peak  7707 spectrum    1 weight  0.11000E+01 volume  0.14375E-01 ppm1      2.574 ppm2      2.578 CV     1
  ASSI { 7709}
    (( segid "ocre" and resid 50   and name HB2 ))
    (( segid "ocre" and resid 50   and name HB1 ))
       2.100     0.500     0.500 peak  7709 spectrum    1 weight  0.11000E+01 volume  0.82111E-02 ppm1      3.053 ppm2      3.300 CV     1
  ASSI { 7714}
    (( segid "ocre" and resid 41   and name HB1 ))
    (( segid "ocre" and resid 41   and name HB2 ))
       1.900     0.400     0.400 peak  7714 spectrum    1 weight  0.11000E+01 volume  0.97653E-02 ppm1      2.661 ppm2      2.464 CV     1
  ASSI { 7720}
    (( segid "ocre" and resid 41   and name HB2 ))
    (  segid "ocre" and resid 48   and name HD% )
       3.100     3.100     2.900 peak  7720 spectrum    1 weight  0.11000E+01 volume  0.10027E-02 ppm1      2.458 ppm2      7.247 CV     1
  ASSI { 7722}
    (( segid "ocre" and resid 41   and name HB1 ))
    (  segid "ocre" and resid 48   and name HD% )
       3.800     1.800     1.800 peak  7722 spectrum    1 weight  0.11000E+01 volume  0.17630E-02 ppm1      2.666 ppm2      7.243 CV     1
  ASSI { 7725}
    (( segid "ocre" and resid 40   and name HA  ))
    (  segid "ocre" and resid 40   and name HD% )
       3.100     1.200     1.200 peak  7725 spectrum    1 weight  0.11000E+01 volume  0.15360E-02 ppm1      5.640 ppm2      7.240 CV     1
  ASSI { 7731}
    (( segid "ocre" and resid 15   and name HB2 ))
    (( segid "ocre" and resid 15   and name HB1 ))
       1.800     0.400     0.400 peak  7731 spectrum    1 weight  0.11000E+01 volume  0.10455E-01 ppm1      3.220 ppm2      3.211 CV     1
  ASSI { 7737}
    (( segid "ocre" and resid 24   and name HB2 ))
    (( segid "ocre" and resid 24   and name HB1 ))
       2.200     0.600     0.600 peak  7737 spectrum    1 weight  0.11000E+01 volume  0.42104E-02 ppm1      3.130 ppm2      3.344 CV     1
  ASSI { 7742}
    (( segid "ocre" and resid 23   and name HB2 ))
    (  segid "ocre" and resid 23   and name HD% )
       3.000     1.100     1.100 peak  7742 spectrum    1 weight  0.11000E+01 volume  0.14979E-02 ppm1      3.099 ppm2      6.934 CV     1
  ASSI { 7744}
    (( segid "ocre" and resid 31   and name HA  ))
    (( segid "ocre" and resid 42   and name HA  ))
       2.900     1.100     1.100 peak  7744 spectrum    1 weight  0.11000E+01 volume  0.16077E-02 ppm1      4.538 ppm2      4.842 CV     1
  ASSI { 7747}
    (( segid "ocre" and resid 43   and name HA  ))
    (( segid "ocre" and resid 46   and name HA  ))
       2.800     0.900     0.900 peak  7747 spectrum    1 weight  0.11000E+01 volume  0.14640E-02 ppm1      3.805 ppm2      3.553 CV     1
  ASSI { 7748}
    (( segid "ocre" and resid 15   and name HA  ))
    (( segid "ocre" and resid 26   and name HA  ))
       2.600     0.800     0.800 peak  7748 spectrum    1 weight  0.11000E+01 volume  0.26082E-02 ppm1      4.965 ppm2      4.639 CV     1
  ASSI { 7752}
    (( segid "ocre" and resid 15   and name HB1 ))
    (  segid "ocre" and resid 15   and name HE% )
       4.600     2.600     1.400 peak  7752 spectrum    1 weight  0.11000E+01 volume  0.33597E-03 ppm1      3.207 ppm2      6.228 CV     1
  ASSI { 7754}
    (( segid "ocre" and resid 15   and name HB2 ))
    (( segid "ocre" and resid 27   and name HD1 ))
       5.500     3.800     0.500 peak  7754 spectrum    1 weight  0.11000E+01 volume  0.18586E-03 ppm1      3.214 ppm2      4.023 CV     1
  ASSI { 7755}
    (( segid "ocre" and resid 15   and name HB1 ))
    (( segid "ocre" and resid 12   and name HB  ))
       4.900     3.000     1.100 peak  7755 spectrum    1 weight  0.11000E+01 volume  0.28988E-03 ppm1      3.214 ppm2      3.616 CV     1
  ASSI { 7756}
    (( segid "ocre" and resid 15   and name HB1 ))
    (( segid "ocre" and resid 12   and name HA  ))
       5.400     3.600     0.600 peak  7756 spectrum    1 weight  0.11000E+01 volume  0.27798E-03 ppm1      3.212 ppm2      2.462 CV     1
  ASSI { 7758}
    (( segid "ocre" and resid 15   and name HB2 ))
    (( segid "ocre" and resid 26   and name HB2 ))
       5.500     3.800     0.500 peak  7758 spectrum    1 weight  0.11000E+01 volume  0.84342E-04 ppm1      3.208 ppm2      1.090 CV     1
  ASSI { 7761}
    (( segid "ocre" and resid 17   and name HB1 ))
    (  segid "ocre" and resid 24   and name HD% )
       4.100     4.100     1.900 peak  7761 spectrum    1 weight  0.11000E+01 volume  0.69824E-03 ppm1      2.776 ppm2      7.234 CV     1
  ASSI { 7763}
    (( segid "ocre" and resid 25   and name HB1 ))
    (  segid "ocre" and resid 25   and name HE% )
       4.200     2.200     1.800 peak  7763 spectrum    1 weight  0.11000E+01 volume  0.70058E-03 ppm1      2.697 ppm2      6.377 CV     1
  ASSI { 7764}
    (( segid "ocre" and resid 25   and name HB1 ))
    (  segid "ocre" and resid 32   and name HE% )
       3.700     3.700     2.300 peak  7764 spectrum    1 weight  0.11000E+01 volume  0.13210E-02 ppm1      2.698 ppm2      6.791 CV     1
  ASSI { 7765}
    (( segid "ocre" and resid 25   and name HB1 ))
    (  segid "ocre" and resid 32   and name HD% )
       4.000     2.000     2.000 peak  7765 spectrum    1 weight  0.11000E+01 volume  0.11246E-02 ppm1      2.689 ppm2      7.270 CV     1
  ASSI { 7768}
    (( segid "ocre" and resid 32   and name HB1 ))
    (  segid "ocre" and resid 32   and name HD% )
       2.500     2.500     3.500 peak  7768 spectrum    1 weight  0.11000E+01 volume  0.37882E-02 ppm1      3.101 ppm2      7.277 CV     1
  ASSI { 7770}
    (( segid "ocre" and resid 32   and name HB1 ))
    (  segid "ocre" and resid 32   and name HE% )
       4.000     4.000     2.000 peak  7770 spectrum    1 weight  0.11000E+01 volume  0.87985E-03 ppm1      3.094 ppm2      6.774 CV     1
  ASSI { 7771}
    (( segid "ocre" and resid 37   and name HB1 ))
    (( segid "ocre" and resid 36   and name HB2 ))
       4.500     2.500     1.500 peak  7771 spectrum    1 weight  0.11000E+01 volume  0.30321E-03 ppm1      3.684 ppm2      2.796 CV     1
  ASSI { 7774}
    (( segid "ocre" and resid 37   and name HB2 ))
    (( segid "sm_n" and resid 106  and name HB2 ))
       3.900     1.900     1.900 peak  7774 spectrum    1 weight  0.11000E+01 volume  0.24452E-03 ppm1      3.679 ppm2      1.819 CV     1
  ASSI { 7778}
    (( segid "ocre" and resid 21   and name HA  ))
    (  segid "ocre" and resid 23   and name HE% )
       4.400     2.400     1.600 peak  7778 spectrum    1 weight  0.11000E+01 volume  0.22319E-03 ppm1      4.307 ppm2      6.555 CV     1
  ASSI { 7779}
    (( segid "ocre" and resid 43   and name HB2 ))
    (  segid "ocre" and resid 32   and name HE% )
       3.400     3.400     2.600 peak  7779 spectrum    1 weight  0.11000E+01 volume  0.12100E-02 ppm1      3.827 ppm2      6.791 CV     1
  ASSI { 7780}
    (( segid "ocre" and resid 9    and name HB  ))
    (( segid "ocre" and resid 51   and name HZ2 ))
       4.900     2.900     1.100 peak  7780 spectrum    1 weight  0.11000E+01 volume  0.16431E-03 ppm1      1.862 ppm2      7.124 CV     1
  ASSI { 7782}
    (( segid "ocre" and resid 59   and name HB  ))
    (( segid "ocre" and resid 60   and name HG1 ))
       4.700     2.800     1.300 peak  7782 spectrum    1 weight  0.11000E+01 volume  0.46262E-03 ppm1      1.332 ppm2      2.125 CV     1
  ASSI { 7785}
    (  segid "ocre" and resid 59   and name HG1%)
    (  segid "ocre" and resid 50   and name HE% )
       3.100     3.100     2.900 peak  7785 spectrum    1 weight  0.11000E+01 volume  0.17541E-02 ppm1      0.892 ppm2      6.769 CV     1
  ASSI { 7788}
    (( segid "ocre" and resid 60   and name HG1 ))
    (  segid "ocre" and resid 59   and name HG1%)
       4.000     2.000     2.000 peak  7788 spectrum    1 weight  0.11000E+01 volume  0.10710E-02 ppm1      2.124 ppm2      0.893 CV     1
  ASSI { 7792}
    (  segid "ocre" and resid 59   and name HG1%)
    (( segid "ocre" and resid 60   and name HD1 ))
       3.100     1.200     1.200 peak  7792 spectrum    1 weight  0.11000E+01 volume  0.48079E-02 ppm1      0.891 ppm2      3.790 CV     1
  ASSI { 7793}
    (  segid "ocre" and resid 59   and name HG1%)
    (( segid "ocre" and resid 60   and name HD2 ))
       3.000     1.100     1.100 peak  7793 spectrum    1 weight  0.11000E+01 volume  0.35310E-02 ppm1      0.894 ppm2      3.645 CV     1
  ASSI { 7794}
    (( segid "ocre" and resid 36   and name HB2 ))
    (( segid "ocre" and resid 37   and name HA  ))
       4.200     2.200     1.800 peak  7794 spectrum    1 weight  0.11000E+01 volume  0.36065E-03 ppm1      2.801 ppm2      4.195 CV     1
  ASSI { 7799}
    (( segid "ocre" and resid 42   and name HA  ))
    (  segid "ocre" and resid 31   and name HD2%)
       4.100     2.100     1.900 peak  7799 spectrum    1 weight  0.11000E+01 volume  0.55235E-03 ppm1      4.822 ppm2     -0.083 CV     1
  ASSI { 7800}
    (( segid "ocre" and resid 11   and name HB2 ))
    (  segid "ocre" and resid 14   and name HG2%)
       3.100     1.200     1.200 peak  7800 spectrum    1 weight  0.11000E+01 volume  0.12914E-02 ppm1      2.436 ppm2      1.100 CV     1
  ASSI { 7802}
    (( segid "ocre" and resid 11   and name HA  ))
    (  segid "ocre" and resid 14   and name HG2%)
       4.500     4.500     1.500 peak  7802 spectrum    1 weight  0.11000E+01 volume  0.32650E-03 ppm1      4.550 ppm2      1.107 CV     1
  ASSI { 7805}
    (( segid "ocre" and resid 26   and name HB1 ))
    (( segid "ocre" and resid 27   and name HD1 ))
       4.800     2.900     1.200 peak  7805 spectrum    1 weight  0.11000E+01 volume  0.37882E-03 ppm1      2.500 ppm2      4.024 CV     1
  ASSI { 7807}
    (( segid "ocre" and resid 26   and name HB1 ))
    (  segid "ocre" and resid 15   and name HD% )
       4.500     2.600     1.500 peak  7807 spectrum    1 weight  0.11000E+01 volume  0.42030E-03 ppm1      2.489 ppm2      6.838 CV     1
  ASSI { 7809}
    (( segid "ocre" and resid 35   and name HD1 ))
    (( segid "ocre" and resid 34   and name HB1 ))
       4.600     2.600     1.400 peak  7809 spectrum    1 weight  0.11000E+01 volume  0.42815E-03 ppm1      4.315 ppm2      2.799 CV     1
  ASSI { 7811}
    (( segid "ocre" and resid 34   and name HB2 ))
    (( segid "ocre" and resid 35   and name HD2 ))
       4.700     2.800     1.300 peak  7811 spectrum    1 weight  0.11000E+01 volume  0.27991E-03 ppm1      2.025 ppm2      4.076 CV     1
  ASSI { 7812}
    (( segid "ocre" and resid 34   and name HB2 ))
    (( segid "ocre" and resid 35   and name HD1 ))
       4.800     2.900     1.200 peak  7812 spectrum    1 weight  0.11000E+01 volume  0.41116E-03 ppm1      2.027 ppm2      4.314 CV     1
  ASSI { 7813}
    (( segid "ocre" and resid 34   and name HA  ))
    (  segid "ocre" and resid 23   and name HE% )
       4.000     4.000     2.000 peak  7813 spectrum    1 weight  0.11000E+01 volume  0.36115E-03 ppm1      4.952 ppm2      6.562 CV     1
  ASSI { 7815}
    (( segid "ocre" and resid 52   and name HB1 ))
    (( segid "ocre" and resid 55   and name HB1 ))
       4.000     2.000     2.000 peak  7815 spectrum    1 weight  0.11000E+01 volume  0.10049E-02 ppm1      2.529 ppm2      1.649 CV     1
  ASSI { 7820}
    (( segid "ocre" and resid 52   and name HB1 ))
    (  segid "ocre" and resid 50   and name HE% )
       3.800     3.800     2.200 peak  7820 spectrum    1 weight  0.11000E+01 volume  0.81054E-03 ppm1      2.522 ppm2      6.771 CV     1
  ASSI { 7821}
    (( segid "ocre" and resid 52   and name HA  ))
    (  segid "ocre" and resid 50   and name HD% )
       3.500     3.500     2.500 peak  7821 spectrum    1 weight  0.11000E+01 volume  0.87402E-03 ppm1      4.569 ppm2      6.981 CV     1
  ASSI { 7824}
    (( segid "ocre" and resid 57   and name HB  ))
    (( segid "ocre" and resid 55   and name HB2 ))
       5.000     3.100     1.000 peak  7824 spectrum    1 weight  0.11000E+01 volume  0.26457E-03 ppm1      3.852 ppm2      1.089 CV     1
  ASSI { 7825}
    (( segid "ocre" and resid 45   and name HB  ))
    (( segid "ocre" and resid 47   and name HB2 ))
       3.800     1.800     1.800 peak  7825 spectrum    1 weight  0.11000E+01 volume  0.92797E-03 ppm1      4.190 ppm2      1.623 CV     1
  ASSI { 7829}
    (  segid "ocre" and resid 29   and name HG2%)
    (  segid "ocre" and resid 7    and name HE% )
       3.400     3.400     2.600 peak  7829 spectrum    1 weight  0.11000E+01 volume  0.98189E-03 ppm1      1.025 ppm2      6.816 CV     1
  ASSI { 7830}
    (  segid "ocre" and resid 29   and name HG2%)
    (  segid "ocre" and resid 7    and name HD% )
       3.200     3.200     2.800 peak  7830 spectrum    1 weight  0.11000E+01 volume  0.12724E-02 ppm1      1.026 ppm2      7.239 CV     1
  ASSI { 7833}
    (( segid "ocre" and resid 14   and name HB  ))
    (  segid "ocre" and resid 15   and name HD% )
       4.700     4.700     1.300 peak  7833 spectrum    1 weight  0.11000E+01 volume  0.20123E-03 ppm1      4.447 ppm2      6.816 CV     1
  ASSI { 7834}
    (( segid "ocre" and resid 12   and name HB  ))
    (  segid "ocre" and resid 15   and name HE% )
       4.700     4.700     1.300 peak  7834 spectrum    1 weight  0.11000E+01 volume  0.35298E-03 ppm1      3.612 ppm2      6.228 CV     1
  ASSI { 7836}
    (( segid "ocre" and resid 12   and name HB  ))
    (  segid "ocre" and resid 15   and name HD% )
       5.000     5.000     1.000 peak  7836 spectrum    1 weight  0.11000E+01 volume  0.35668E-03 ppm1      3.611 ppm2      6.810 CV     1
  ASSI { 7838}
    (  segid "ocre" and resid 12   and name HG2%)
    (  segid "ocre" and resid 15   and name HE% )
       3.000     3.000     3.000 peak  7838 spectrum    1 weight  0.11000E+01 volume  0.24825E-02 ppm1      0.587 ppm2      6.229 CV     1
  ASSI { 7843}
    (( segid "ocre" and resid 10   and name HB2 ))
    (  segid "ocre" and resid 15   and name HE% )
       4.200     2.200     1.800 peak  7843 spectrum    1 weight  0.11000E+01 volume  0.21437E-03 ppm1      1.303 ppm2      6.230 CV     1
  ASSI { 7847}
    (( segid "ocre" and resid 10   and name HB1 ))
    (  segid "ocre" and resid 40   and name HE% )
       4.400     2.400     1.600 peak  7847 spectrum    1 weight  0.11000E+01 volume  0.23380E-03 ppm1      1.801 ppm2      6.878 CV     1
  ASSI { 7848}
    (( segid "ocre" and resid 10   and name HG2 ))
    (  segid "ocre" and resid 58   and name HE% )
       4.900     3.000     1.100 peak  7848 spectrum    1 weight  0.11000E+01 volume  0.17871E-03 ppm1      1.016 ppm2      5.801 CV     1
  ASSI { 7850}
    (( segid "ocre" and resid 10   and name HD1 ))
    (  segid "ocre" and resid 40   and name HE% )
       5.600     5.600     0.400 peak  7850 spectrum    1 weight  0.11000E+01 volume  0.76701E-04 ppm1      2.460 ppm2      6.908 CV     1
  ASSI { 7851}
    (( segid "ocre" and resid 10   and name HD1 ))
    (( segid "ocre" and resid 51   and name HZ2 ))
       4.900     3.000     1.100 peak  7851 spectrum    1 weight  0.11000E+01 volume  0.11829E-03 ppm1      2.463 ppm2      7.122 CV     1
  ASSI { 7852}
    (( segid "ocre" and resid 60   and name HB2 ))
    (( segid "ocre" and resid 49   and name HA  ))
       5.400     3.600     0.600 peak  7852 spectrum    1 weight  0.11000E+01 volume  0.29628E-03 ppm1      1.935 ppm2      5.476 CV     1
  ASSI { 7857}
    (( segid "ocre" and resid 35   and name HB1 ))
    (  segid "ocre" and resid 33   and name HD% )
       4.600     2.700     1.400 peak  7857 spectrum    1 weight  0.11000E+01 volume  0.27788E-03 ppm1      2.284 ppm2      5.953 CV     1
  ASSI { 7858}
    (( segid "ocre" and resid 27   and name HB2 ))
    (  segid "ocre" and resid 25   and name HE% )
       4.300     4.300     1.700 peak  7858 spectrum    1 weight  0.11000E+01 volume  0.80170E-03 ppm1      2.008 ppm2      6.360 CV     1
  ASSI { 7859}
    (( segid "ocre" and resid 27   and name HD1 ))
    (  segid "ocre" and resid 25   and name HE% )
       3.800     3.800     2.200 peak  7859 spectrum    1 weight  0.11000E+01 volume  0.53539E-03 ppm1      4.035 ppm2      6.374 CV     1
  ASSI { 7861}
    (  segid "ocre" and resid 31   and name HD1%)
    (  segid "ocre" and resid 58   and name HE% )
       5.000     5.000     1.000 peak  7861 spectrum    1 weight  0.11000E+01 volume  0.10852E-03 ppm1      0.578 ppm2      5.799 CV     1
  ASSI { 7863}
    (  segid "ocre" and resid 31   and name HD1%)
    (  segid "ocre" and resid 58   and name HD% )
       4.900     4.900     1.100 peak  7863 spectrum    1 weight  0.11000E+01 volume  0.10307E-03 ppm1      0.580 ppm2      6.420 CV     1
  ASSI { 7864}
    (  segid "ocre" and resid 31   and name HD1%)
    (  segid "ocre" and resid 40   and name HE% )
       5.100     5.100     0.900 peak  7864 spectrum    1 weight  0.11000E+01 volume  0.16684E-03 ppm1      0.580 ppm2      6.862 CV     1
  ASSI { 7866}
    (( segid "ocre" and resid 31   and name HB1 ))
    (  segid "ocre" and resid 40   and name HE% )
       4.500     2.500     1.500 peak  7866 spectrum    1 weight  0.11000E+01 volume  0.18928E-03 ppm1      1.681 ppm2      6.873 CV     1
  ASSI { 7867}
    (( segid "ocre" and resid 49   and name HB2 ))
    (  segid "ocre" and resid 31   and name HD2%)
       4.000     4.000     2.000 peak  7867 spectrum    1 weight  0.11000E+01 volume  0.31558E-03 ppm1      1.469 ppm2     -0.084 CV     1
  ASSI { 7868}
    (( segid "ocre" and resid 49   and name HG  ))
    (  segid "ocre" and resid 31   and name HD2%)
       4.700     4.700     1.300 peak  7868 spectrum    1 weight  0.11000E+01 volume  0.20367E-03 ppm1      1.462 ppm2     -0.080 CV     1
  ASSI { 7869}
    (  segid "ocre" and resid 49   and name HD1%)
    (  segid "ocre" and resid 31   and name HD2%)
       3.900     3.900     2.100 peak  7869 spectrum    1 weight  0.11000E+01 volume  0.40776E-03 ppm1      0.639 ppm2     -0.080 CV     1
  ASSI { 7871}
    (  segid "ocre" and resid 49   and name HD2%)
    (  segid "ocre" and resid 58   and name HD% )
       4.300     2.400     1.700 peak  7871 spectrum    1 weight  0.11000E+01 volume  0.47316E-03 ppm1      0.679 ppm2      6.418 CV     1
  ASSI { 7876}
    (( segid "ocre" and resid 16   and name HB1 ))
    (  segid "ocre" and resid 25   and name HE% )
       4.800     4.800     1.200 peak  7876 spectrum    1 weight  0.11000E+01 volume  0.18721E-03 ppm1      2.223 ppm2      6.373 CV     1
  ASSI { 7877}
    (( segid "ocre" and resid 16   and name HG1 ))
    (( segid "ocre" and resid 27   and name HD1 ))
       3.400     3.400     2.600 peak  7877 spectrum    1 weight  0.11000E+01 volume  0.97916E-03 ppm1      2.555 ppm2      4.013 CV     1
  ASSI { 7880}
    (( segid "ocre" and resid 27   and name HD1 ))
    (( segid "ocre" and resid 16   and name HB1 ))
       3.800     1.800     1.800 peak  7880 spectrum    1 weight  0.11000E+01 volume  0.60798E-03 ppm1      4.019 ppm2      2.238 CV     1
  ASSI { 7882}
    (( segid "ocre" and resid 16   and name HB2 ))
    (  segid "ocre" and resid 24   and name HD% )
       5.100     5.100     0.900 peak  7882 spectrum    1 weight  0.11000E+01 volume  0.12460E-03 ppm1      2.224 ppm2      7.248 CV     1
  ASSI { 7884}
    (( segid "ocre" and resid 38   and name HG2 ))
    (( segid "ocre" and resid 35   and name HA  ))
       3.600     1.700     1.700 peak  7884 spectrum    1 weight  0.11000E+01 volume  0.57682E-03 ppm1      2.100 ppm2      3.942 CV     1
  ASSI { 7885}
    (( segid "ocre" and resid 47   and name HB2 ))
    (  segid "ocre" and resid 49   and name HD1%)
       3.000     3.000     3.000 peak  7885 spectrum    1 weight  0.11000E+01 volume  0.15093E-02 ppm1      1.630 ppm2      0.645 CV     1
  ASSI { 7886}
    (( segid "ocre" and resid 47   and name HB1 ))
    (  segid "ocre" and resid 49   and name HD1%)
       3.200     1.300     1.300 peak  7886 spectrum    1 weight  0.11000E+01 volume  0.18749E-02 ppm1      1.905 ppm2      0.639 CV     1
  ASSI { 7890}
    (( segid "ocre" and resid 55   and name HG2 ))
    (  segid "ocre" and resid 57   and name HG2%)
       4.500     2.500     1.500 peak  7890 spectrum    1 weight  0.11000E+01 volume  0.79234E-03 ppm1      1.371 ppm2      0.747 CV     1
  ASSI { 7891}
    (  segid "ocre" and resid 57   and name HG2%)
    (( segid "ocre" and resid 55   and name HG1 ))
       3.700     1.700     1.700 peak  7891 spectrum    1 weight  0.11000E+01 volume  0.14684E-02 ppm1      0.747 ppm2      1.489 CV     1
  ASSI { 7892}
    (( segid "ocre" and resid 55   and name HD1 ))
    (  segid "ocre" and resid 57   and name HG2%)
       4.500     2.500     1.500 peak  7892 spectrum    1 weight  0.11000E+01 volume  0.63314E-03 ppm1      1.311 ppm2      0.746 CV     1
  ASSI { 7893}
    (( segid "ocre" and resid 55   and name HD2 ))
    (  segid "ocre" and resid 57   and name HG2%)
       4.000     2.000     2.000 peak  7893 spectrum    1 weight  0.11000E+01 volume  0.78509E-03 ppm1      1.203 ppm2      0.745 CV     1
  ASSI { 7897}
    (( segid "ocre" and resid 50   and name HB2 ))
    (  segid "ocre" and resid 50   and name HD% )
       2.800     1.000     1.000 peak  7897 spectrum    1 weight  0.11000E+01 volume  0.28969E-02 ppm1      3.060 ppm2      6.989 CV     1
  ASSI { 7899}
    (( segid "ocre" and resid 50   and name HB1 ))
    (  segid "ocre" and resid 40   and name HD% )
       4.000     4.000     2.000 peak  7899 spectrum    1 weight  0.11000E+01 volume  0.10907E-02 ppm1      3.293 ppm2      7.218 CV     1
  ASSI { 7900}
    (( segid "ocre" and resid 32   and name HB2 ))
    (  segid "ocre" and resid 40   and name HD% )
       3.300     3.300     2.700 peak  7900 spectrum    1 weight  0.11000E+01 volume  0.13220E-02 ppm1      3.060 ppm2      7.223 CV     1
  ASSI { 7907}
    (( segid "ocre" and resid 48   and name HB1 ))
    (( segid "ocre" and resid 49   and name HG  ))
       4.200     4.200     1.800 peak  7907 spectrum    1 weight  0.11000E+01 volume  0.36142E-03 ppm1      2.745 ppm2      1.462 CV     1
  ASSI { 7909}
    (( segid "ocre" and resid 41   and name HA  ))
    (  segid "ocre" and resid 41   and name HE% )
       4.200     2.200     1.800 peak  7909 spectrum    1 weight  0.11000E+01 volume  0.48505E-03 ppm1      5.053 ppm2      6.132 CV     1
  ASSI { 7910}
    (( segid "ocre" and resid 41   and name HA  ))
    (  segid "ocre" and resid 48   and name HE% )
       4.900     4.900     1.100 peak  7910 spectrum    1 weight  0.11000E+01 volume  0.28762E-03 ppm1      5.061 ppm2      6.637 CV     1
  ASSI { 7921}
    (( segid "ocre" and resid 33   and name HB2 ))
    (  segid "ocre" and resid 40   and name HD% )
       3.100     3.100     2.900 peak  7921 spectrum    1 weight  0.11000E+01 volume  0.10360E-02 ppm1      2.450 ppm2      7.243 CV     1
  ASSI { 7922}
    (( segid "ocre" and resid 33   and name HA  ))
    (  segid "ocre" and resid 40   and name HE% )
       4.400     2.400     1.600 peak  7922 spectrum    1 weight  0.11000E+01 volume  0.43338E-03 ppm1      4.879 ppm2      6.868 CV     1
  ASSI { 7923}
    (( segid "ocre" and resid 40   and name HA  ))
    (  segid "ocre" and resid 33   and name HE% )
       5.000     5.000     1.000 peak  7923 spectrum    1 weight  0.11000E+01 volume  0.17206E-03 ppm1      5.671 ppm2      6.364 CV     1
  ASSI { 7924}
    (( segid "ocre" and resid 32   and name HB1 ))
    (( segid "ocre" and resid 23   and name HB1 ))
       3.300     3.300     2.700 peak  7924 spectrum    1 weight  0.11000E+01 volume  0.21630E-02 ppm1      3.094 ppm2      3.454 CV     1
  ASSI { 7926}
    (( segid "ocre" and resid 32   and name HA  ))
    (  segid "ocre" and resid 25   and name HD% )
       3.300     3.300     2.700 peak  7926 spectrum    1 weight  0.11000E+01 volume  0.85265E-03 ppm1      5.502 ppm2      6.051 CV     1
  ASSI { 7927}
    (( segid "ocre" and resid 27   and name HB2 ))
    (  segid "ocre" and resid 25   and name HD% )
       5.000     5.000     1.000 peak  7927 spectrum    1 weight  0.11000E+01 volume  0.24473E-03 ppm1      2.009 ppm2      6.051 CV     1
  ASSI { 7928}
    (( segid "ocre" and resid 25   and name HA  ))
    (  segid "ocre" and resid 32   and name HD% )
       3.000     3.000     3.000 peak  7928 spectrum    1 weight  0.11000E+01 volume  0.21354E-02 ppm1      4.637 ppm2      7.263 CV     1
  ASSI { 7929}
    (  segid "ocre" and resid 12   and name HG2%)
    (  segid "ocre" and resid 24   and name HE% )
       3.500     1.500     1.500 peak  7929 spectrum    1 weight  0.11000E+01 volume  0.90625E-03 ppm1      0.585 ppm2      6.989 CV     1
  ASSI { 7930}
    (( segid "ocre" and resid 23   and name HA  ))
    (  segid "ocre" and resid 23   and name HE% )
       4.000     4.000     2.000 peak  7930 spectrum    1 weight  0.11000E+01 volume  0.65341E-03 ppm1      5.150 ppm2      6.540 CV     1
  ASSI { 7933}
    (( segid "ocre" and resid 17   and name HA  ))
    (( segid "ocre" and resid 24   and name HB2 ))
       4.500     2.500     1.500 peak  7933 spectrum    1 weight  0.11000E+01 volume  0.45833E-03 ppm1      3.942 ppm2      3.161 CV     1
  ASSI { 7938}
    (( segid "ocre" and resid 17   and name HB1 ))
    (( segid "ocre" and resid 24   and name HA  ))
       4.600     2.600     1.400 peak  7938 spectrum    1 weight  0.11000E+01 volume  0.40643E-03 ppm1      2.789 ppm2      5.262 CV     1
  ASSI { 7942}
    (( segid "ocre" and resid 26   and name HB2 ))
    (( segid "ocre" and resid 15   and name HB1 ))
       5.700     4.100     0.300 peak  7942 spectrum    1 weight  0.11000E+01 volume  0.41237E-04 ppm1      1.085 ppm2      3.220 CV     1
  ASSI { 7943}
    (( segid "ocre" and resid 7    and name HB1 ))
    (  segid "ocre" and resid 7    and name HE% )
       4.800     4.800     1.200 peak  7943 spectrum    1 weight  0.11000E+01 volume  0.31353E-03 ppm1      3.230 ppm2      6.813 CV     1
  ASSI { 7945}
    (( segid "ocre" and resid 7    and name HA  ))
    (  segid "ocre" and resid 7    and name HE% )
       4.300     4.300     1.700 peak  7945 spectrum    1 weight  0.11000E+01 volume  0.49725E-03 ppm1      4.620 ppm2      6.813 CV     1
  ASSI { 7946}
    (( segid "ocre" and resid 7    and name HB2 ))
    (( segid "ocre" and resid 57   and name HA  ))
       3.900     3.900     2.100 peak  7946 spectrum    1 weight  0.11000E+01 volume  0.37151E-03 ppm1      2.857 ppm2      4.196 CV     1
  ASSI { 7949}
    (  segid "ocre" and resid 8    and name HB% )
    (( segid "ocre" and resid 7    and name HB1 ))
       4.800     2.800     1.200 peak  7949 spectrum    1 weight  0.11000E+01 volume  0.18306E-03 ppm1      1.297 ppm2      3.219 CV     1
  ASSI { 7950}
    (( segid "ocre" and resid 8    and name HA  ))
    (( segid "ocre" and resid 7    and name HB1 ))
       4.600     2.600     1.400 peak  7950 spectrum    1 weight  0.11000E+01 volume  0.17121E-03 ppm1      4.315 ppm2      3.239 CV     1
  ASSI { 7952}
    (( segid "ocre" and resid 8    and name HA  ))
    (  segid "ocre" and resid 9    and name HG1%)
       3.900     3.900     2.100 peak  7952 spectrum    1 weight  0.11000E+01 volume  0.80418E-03 ppm1      4.315 ppm2      0.973 CV     1
  ASSI { 7953}
    (( segid "ocre" and resid 8    and name HA  ))
    (  segid "ocre" and resid 9    and name HG2%)
       4.400     4.400     1.600 peak  7953 spectrum    1 weight  0.11000E+01 volume  0.38512E-03 ppm1      4.315 ppm2      0.876 CV     1
  ASSI { 7957}
    (( segid "ocre" and resid 57   and name HA  ))
    (  segid "ocre" and resid 7    and name HE% )
       4.100     4.100     1.900 peak  7957 spectrum    1 weight  0.11000E+01 volume  0.43723E-03 ppm1      4.196 ppm2      6.811 CV     1
  ASSI { 7959}
    (( segid "ocre" and resid 7    and name HB1 ))
    (  segid "ocre" and resid 7    and name HD% )
       2.800     2.800     3.200 peak  7959 spectrum    1 weight  0.11000E+01 volume  0.27082E-02 ppm1      3.231 ppm2      7.236 CV     1
  ASSI { 7960}
    (( segid "ocre" and resid 7    and name HB2 ))
    (  segid "ocre" and resid 7    and name HD% )
       2.600     2.600     3.400 peak  7960 spectrum    1 weight  0.11000E+01 volume  0.41637E-02 ppm1      2.824 ppm2      7.234 CV     1
  ASSI { 7961}
    (  segid "ocre" and resid 8    and name HB% )
    (( segid "ocre" and resid 51   and name HD1 ))
       4.700     4.700     1.300 peak  7961 spectrum    1 weight  0.11000E+01 volume  0.25806E-03 ppm1      1.332 ppm2      6.931 CV     1
  ASSI { 7962}
    (( segid "ocre" and resid 57   and name HA  ))
    (( segid "ocre" and resid 51   and name HH2 ))
       3.800     1.800     1.800 peak  7962 spectrum    1 weight  0.11000E+01 volume  0.58898E-03 ppm1      4.195 ppm2      6.691 CV     1
  ASSI { 7963}
    (( segid "ocre" and resid 57   and name HA  ))
    (( segid "ocre" and resid 51   and name HZ3 ))
       3.000     1.100     1.100 peak  7963 spectrum    1 weight  0.11000E+01 volume  0.16208E-02 ppm1      4.192 ppm2      6.128 CV     1
  ASSI { 7964}
    (( segid "ocre" and resid 57   and name HA  ))
    (( segid "ocre" and resid 51   and name HE3 ))
       5.000     3.100     1.000 peak  7964 spectrum    1 weight  0.11000E+01 volume  0.21140E-03 ppm1      4.193 ppm2      5.361 CV     1
  ASSI { 7965}
    (  segid "ocre" and resid 9    and name HG1%)
    (( segid "ocre" and resid 51   and name HH2 ))
       4.400     4.400     1.600 peak  7965 spectrum    1 weight  0.11000E+01 volume  0.31389E-03 ppm1      0.950 ppm2      6.686 CV     1
  ASSI { 7966}
    (( segid "ocre" and resid 51   and name HB2 ))
    (( segid "ocre" and resid 10   and name HG1 ))
       4.000     2.000     2.000 peak  7966 spectrum    1 weight  0.11000E+01 volume  0.25114E-03 ppm1      2.849 ppm2      1.134 CV     1
  ASSI { 7970}
    (( segid "ocre" and resid 10   and name HG2 ))
    (( segid "ocre" and resid 51   and name HB1 ))
       5.100     3.300     0.900 peak  7970 spectrum    1 weight  0.11000E+01 volume  0.12696E-03 ppm1      1.026 ppm2      3.219 CV     1
  ASSI { 7972}
    (( segid "ocre" and resid 51   and name HB2 ))
    (( segid "ocre" and resid 51   and name HZ3 ))
       5.700     4.100     0.300 peak  7972 spectrum    1 weight  0.11000E+01 volume  0.92240E-04 ppm1      2.857 ppm2      6.130 CV     1
  ASSI { 7973}
    (( segid "ocre" and resid 51   and name HB1 ))
    (( segid "ocre" and resid 51   and name HZ3 ))
       6.000     6.000     0.000 peak  7973 spectrum    1 weight  0.11000E+01 volume  0.63032E-04 ppm1      3.196 ppm2      6.149 CV     1
  ASSI { 7976}
    (( segid "ocre" and resid 57   and name HB  ))
    (  segid "ocre" and resid 7    and name HE% )
       4.800     4.800     1.200 peak  7976 spectrum    1 weight  0.11000E+01 volume  0.15713E-03 ppm1      3.874 ppm2      6.813 CV     1
  ASSI { 7977}
    (( segid "ocre" and resid 57   and name HB  ))
    (  segid "ocre" and resid 7    and name HD% )
       3.900     3.900     2.100 peak  7977 spectrum    1 weight  0.11000E+01 volume  0.44466E-03 ppm1      3.874 ppm2      7.243 CV     1
  ASSI { 7978}
    (( segid "ocre" and resid 21   and name HB1 ))
    (( segid "sm_n" and resid 108  and name HG12))
       5.500     3.800     0.500 peak  7978 spectrum    1 weight  0.11000E+01 volume  0.15220E-03 ppm1      3.501 ppm2      1.130 CV     1
  ASSI { 7979}
    (( segid "ocre" and resid 21   and name HA  ))
    (( segid "sm_n" and resid 108  and name HG21))
       5.300     3.600     0.700 peak  7979 spectrum    1 weight  0.11000E+01 volume  0.15077E-03 ppm1      4.313 ppm2      0.835 CV     1
  ASSI { 7980}
    (( segid "ocre" and resid 21   and name HA  ))
    (( segid "sm_n" and resid 108  and name HD11))
       5.800     4.300     0.200 peak  7980 spectrum    1 weight  0.11000E+01 volume  0.12169E-03 ppm1      4.312 ppm2      0.768 CV     1
  ASSI { 7981}
    (( segid "ocre" and resid 21   and name HB1 ))
    (( segid "sm_n" and resid 108  and name HB  ))
       4.800     2.900     1.200 peak  7981 spectrum    1 weight  0.11000E+01 volume  0.33262E-03 ppm1      3.499 ppm2      1.792 CV     1
  ASSI { 7982}
    (( segid "ocre" and resid 21   and name HA  ))
    (( segid "sm_n" and resid 107  and name HA1 ))
       3.700     3.700     2.300 peak  7982 spectrum    1 weight  0.11000E+01 volume  0.12767E-02 ppm1      4.313 ppm2      3.865 CV     1
  ASSI { 7983}
    (( segid "ocre" and resid 21   and name HA  ))
    (( segid "sm_n" and resid 108  and name HA  ))
       3.300     1.300     1.300 peak  7983 spectrum    1 weight  0.11000E+01 volume  0.12514E-02 ppm1      4.314 ppm2      4.128 CV     1
  ASSI { 7984}
    (( segid "ocre" and resid 21   and name HB1 ))
    (( segid "sm_n" and resid 108  and name HA  ))
       4.300     2.300     1.700 peak  7984 spectrum    1 weight  0.11000E+01 volume  0.42966E-03 ppm1      3.503 ppm2      4.128 CV     1
  ASSI { 7986}
    (( segid "ocre" and resid 36   and name HB2 ))
    (( segid "ocre" and resid 37   and name HB2 ))
       4.300     2.400     1.700 peak  7986 spectrum    1 weight  0.11000E+01 volume  0.29637E-03 ppm1      2.804 ppm2      3.666 CV     1
  ASSI { 7990}
    (( segid "ocre" and resid 43   and name HA  ))
    (( segid "sm_n" and resid 102  and name HG1 ))
       5.300     3.500     0.700 peak  7990 spectrum    1 weight  0.11000E+01 volume  0.23805E-03 ppm1      3.802 ppm2      1.621 CV     1
  ASSI { 7992}
    (( segid "ocre" and resid 43   and name HB2 ))
    (( segid "sm_n" and resid 102  and name HG1 ))
       4.600     4.600     1.400 peak  7992 spectrum    1 weight  0.11000E+01 volume  0.20284E-03 ppm1      3.855 ppm2      1.621 CV     1
  ASSI { 7996}
    (( segid "ocre" and resid 43   and name HB1 ))
    (( segid "sm_n" and resid 103  and name HG1 ))
       5.000     3.200     1.000 peak  7996 spectrum    1 weight  0.11000E+01 volume  0.27093E-03 ppm1      4.079 ppm2      1.976 CV     1
  ASSI { 7997}
    (( segid "ocre" and resid 43   and name HB2 ))
    (( segid "sm_n" and resid 102  and name HD1 ))
       4.200     2.200     1.800 peak  7997 spectrum    1 weight  0.11000E+01 volume  0.11930E-03 ppm1      3.820 ppm2      3.091 CV     1
  ASSI { 7998}
    (( segid "ocre" and resid 46   and name HG1 ))
    (  segid "ocre" and resid 41   and name HD% )
       5.900     5.900     0.100 peak  7998 spectrum    1 weight  0.11000E+01 volume  0.73147E-04 ppm1      2.187 ppm2      5.828 CV     1
  ASSI { 7999}
    (( segid "ocre" and resid 32   and name HB1 ))
    (  segid "ocre" and resid 41   and name HE% )
       4.900     4.900     1.100 peak  7999 spectrum    1 weight  0.11000E+01 volume  0.13411E-03 ppm1      3.109 ppm2      6.134 CV     1
  ASSI { 8001}
    (( segid "ocre" and resid 48   and name HA  ))
    (( segid "sm_n" and resid 103  and name HB1 ))
       5.400     3.700     0.600 peak  8001 spectrum    1 weight  0.11000E+01 volume  0.16447E-03 ppm1      5.578 ppm2      2.261 CV     1
  ASSI { 8004}
    (( segid "ocre" and resid 37   and name HA  ))
    (( segid "sm_n" and resid 106  and name HB2 ))
       5.200     5.200     0.800 peak  8004 spectrum    1 weight  0.11000E+01 volume  0.18758E-03 ppm1      4.190 ppm2      1.826 CV     1
  ASSI { 8006}
    (( segid "ocre" and resid 36   and name HB2 ))
    (( segid "sm_n" and resid 109  and name HD1 ))
       3.700     3.700     2.300 peak  8006 spectrum    1 weight  0.11000E+01 volume  0.57951E-03 ppm1      2.799 ppm2      3.143 CV     1
  ASSI { 8007}
    (( segid "ocre" and resid 36   and name HB1 ))
    (( segid "sm_n" and resid 109  and name HD1 ))
       3.000     3.000     3.000 peak  8007 spectrum    1 weight  0.11000E+01 volume  0.18901E-02 ppm1      3.001 ppm2      3.139 CV     1
  ASSI {   22}
    (( segid "ocre" and resid 34   and name HN  ))
    (( segid "ocre" and resid 39   and name HN  ))
       3.600     3.600     2.400 peak    22 spectrum    2 weight  0.11000E+01 volume  0.63032E-03 ppm1      8.105 ppm2      7.655 CV     1
  ASSI {   30}
    (( segid "ocre" and resid 34   and name HN  ))
    (( segid "ocre" and resid 40   and name HA  ))
       3.900     3.900     2.100 peak    30 spectrum    2 weight  0.11000E+01 volume  0.68605E-03 ppm1      8.104 ppm2      5.639 CV     1
  ASSI {   34}
    (( segid "ocre" and resid 34   and name HN  ))
    (( segid "ocre" and resid 33   and name HA  ))
       2.400     2.400     3.600 peak    34 spectrum    2 weight  0.11000E+01 volume  0.48804E-02 ppm1      8.104 ppm2      4.866 CV     1
  ASSI {   43}
    (( segid "ocre" and resid 34   and name HN  ))
    (( segid "ocre" and resid 34   and name HB1 ))
       2.700     2.700     3.300 peak    43 spectrum    2 weight  0.11000E+01 volume  0.23342E-02 ppm1      8.104 ppm2      2.837 CV     1
  ASSI {   49}
    (( segid "ocre" and resid 34   and name HN  ))
    (( segid "ocre" and resid 34   and name HB2 ))
       3.200     3.200     2.800 peak    49 spectrum    2 weight  0.11000E+01 volume  0.15984E-02 ppm1      8.104 ppm2      2.059 CV     1
  ASSI {   57}
    (( segid "ocre" and resid 26   and name HN  ))
    (( segid "ocre" and resid 25   and name HN  ))
       3.900     1.900     1.900 peak    57 spectrum    2 weight  0.11000E+01 volume  0.60109E-03 ppm1      7.944 ppm2      9.735 CV     1
  ASSI {   77}
    (( segid "ocre" and resid 17   and name HN  ))
    (( segid "ocre" and resid 16   and name HA  ))
       2.100     0.600     0.600 peak    77 spectrum    2 weight  0.11000E+01 volume  0.12780E-01 ppm1      9.491 ppm2      4.898 CV     1
  ASSI {   81}
    (( segid "ocre" and resid 26   and name HN  ))
    (( segid "ocre" and resid 26   and name HA  ))
       2.300     0.700     0.700 peak    81 spectrum    2 weight  0.11000E+01 volume  0.54888E-02 ppm1      7.945 ppm2      4.639 CV     1
  ASSI {   83}
    (( segid "ocre" and resid 17   and name HN  ))
    (( segid "ocre" and resid 17   and name HA  ))
       3.300     1.400     1.400 peak    83 spectrum    2 weight  0.11000E+01 volume  0.95638E-03 ppm1      9.491 ppm2      3.956 CV     1
  ASSI {   86}
    (( segid "ocre" and resid 17   and name HN  ))
    (( segid "ocre" and resid 17   and name HB1 ))
       2.700     0.900     0.900 peak    86 spectrum    2 weight  0.11000E+01 volume  0.30593E-02 ppm1      9.490 ppm2      2.797 CV     1
  ASSI {   88}
    (( segid "ocre" and resid 26   and name HN  ))
    (( segid "ocre" and resid 25   and name HB1 ))
       3.100     3.100     2.900 peak    88 spectrum    2 weight  0.11000E+01 volume  0.32576E-02 ppm1      7.947 ppm2      2.742 CV     1
  ASSI {   90}
    (( segid "ocre" and resid 26   and name HN  ))
    (( segid "ocre" and resid 26   and name HB1 ))
       2.700     0.900     0.900 peak    90 spectrum    2 weight  0.11000E+01 volume  0.24214E-02 ppm1      7.944 ppm2      2.516 CV     1
  ASSI {   93}
    (( segid "ocre" and resid 26   and name HN  ))
    (( segid "ocre" and resid 26   and name HB2 ))
       3.000     1.100     1.100 peak    93 spectrum    2 weight  0.11000E+01 volume  0.15209E-02 ppm1      7.945 ppm2      1.100 CV     1
  ASSI {   99}
    (( segid "ocre" and resid 61   and name HN  ))
    (( segid "ocre" and resid 50   and name HN  ))
       3.900     1.900     1.900 peak    99 spectrum    2 weight  0.11000E+01 volume  0.69691E-03 ppm1      8.784 ppm2      9.490 CV     1
  ASSI {  103}
    (( segid "ocre" and resid 42   and name HN  ))
    (( segid "ocre" and resid 43   and name HN  ))
       4.200     2.200     1.800 peak   103 spectrum    2 weight  0.11000E+01 volume  0.41690E-03 ppm1      8.232 ppm2      9.088 CV     1
  ASSI {  138}
    (( segid "ocre" and resid 42   and name HN  ))
    (( segid "ocre" and resid 41   and name HA  ))
       2.200     0.600     0.600 peak   138 spectrum    2 weight  0.11000E+01 volume  0.55664E-02 ppm1      8.228 ppm2      5.059 CV     1
  ASSI {  140}
    (( segid "ocre" and resid 61   and name HN  ))
    (( segid "ocre" and resid 60   and name HA  ))
       2.200     0.600     0.600 peak   140 spectrum    2 weight  0.11000E+01 volume  0.76024E-02 ppm1      8.786 ppm2      4.687 CV     1
  ASSI {  144}
    (( segid "ocre" and resid 61   and name HN  ))
    (( segid "ocre" and resid 61   and name HA  ))
       3.100     3.100     2.900 peak   144 spectrum    2 weight  0.11000E+01 volume  0.15216E-02 ppm1      8.785 ppm2      4.466 CV     1
  ASSI {  147}
    (( segid "ocre" and resid 42   and name HN  ))
    (( segid "ocre" and resid 42   and name HB1 ))
       2.800     2.800     3.200 peak   147 spectrum    2 weight  0.11000E+01 volume  0.20965E-02 ppm1      8.227 ppm2      3.080 CV     1
  ASSI {  154}
    (( segid "ocre" and resid 42   and name HN  ))
    (( segid "ocre" and resid 42   and name HB2 ))
       3.100     1.200     1.200 peak   154 spectrum    2 weight  0.11000E+01 volume  0.15329E-02 ppm1      8.227 ppm2      2.051 CV     1
  ASSI {  181}
    (( segid "ocre" and resid 19   and name HN  ))
    (( segid "ocre" and resid 22   and name HN  ))
       4.300     2.300     1.700 peak   181 spectrum    2 weight  0.11000E+01 volume  0.28587E-03 ppm1      8.768 ppm2      8.370 CV     1
  ASSI {  185}
    (( segid "ocre" and resid 19   and name HN  ))
    (( segid "ocre" and resid 20   and name HN  ))
       2.500     0.800     0.800 peak   185 spectrum    2 weight  0.11000E+01 volume  0.43025E-02 ppm1      8.764 ppm2      8.214 CV     1
  ASSI {  199}
    (( segid "ocre" and resid 8    and name HN  ))
    (( segid "ocre" and resid 8    and name HA  ))
       2.900     1.100     1.100 peak   199 spectrum    2 weight  0.11000E+01 volume  0.20610E-02 ppm1      8.390 ppm2      4.332 CV     1
  ASSI {  205}
    (( segid "ocre" and resid 8    and name HN  ))
    (( segid "ocre" and resid 7    and name HB1 ))
       3.100     3.100     2.900 peak   205 spectrum    2 weight  0.11000E+01 volume  0.16301E-02 ppm1      8.392 ppm2      3.260 CV     1
  ASSI {  212}
    (( segid "ocre" and resid 19   and name HN  ))
    (( segid "ocre" and resid 19   and name HB1 ))
       2.600     0.800     0.800 peak   212 spectrum    2 weight  0.11000E+01 volume  0.54770E-02 ppm1      8.763 ppm2      2.025 CV     1
  ASSI {  213}
    (( segid "ocre" and resid 8    and name HN  ))
    (( segid "ocre" and resid 6    and name HG2 ))
       2.000     2.000     4.000 peak   213 spectrum    2 weight  0.11000E+01 volume  0.53702E-02 ppm1      8.393 ppm2      1.538 CV     1
  ASSI {  214}
    (( segid "ocre" and resid 8    and name HN  ))
    (  segid "ocre" and resid 8    and name HB% )
       2.500     0.800     0.800 peak   214 spectrum    2 weight  0.11000E+01 volume  0.54980E-02 ppm1      8.389 ppm2      1.333 CV     1
  ASSI {  242}
    (( segid "ocre" and resid 59   and name HN  ))
    (( segid "ocre" and resid 58   and name HA  ))
       2.800     1.000     1.000 peak   242 spectrum    2 weight  0.11000E+01 volume  0.21633E-02 ppm1      9.266 ppm2      4.902 CV     1
  ASSI {  247}
    (( segid "ocre" and resid 59   and name HN  ))
    (( segid "ocre" and resid 59   and name HA  ))
       3.400     1.500     1.500 peak   247 spectrum    2 weight  0.11000E+01 volume  0.66009E-03 ppm1      9.265 ppm2      4.525 CV     1
  ASSI {  252}
    (( segid "ocre" and resid 59   and name HN  ))
    (( segid "ocre" and resid 58   and name HB1 ))
       4.000     2.000     2.000 peak   252 spectrum    2 weight  0.11000E+01 volume  0.45993E-03 ppm1      9.266 ppm2      2.571 CV     1
  ASSI {  256}
    (( segid "ocre" and resid 6    and name HN  ))
    (( segid "ocre" and resid 6    and name HB1 ))
       3.000     1.100     1.100 peak   256 spectrum    2 weight  0.11000E+01 volume  0.18301E-02 ppm1      8.358 ppm2      1.660 CV     1
  ASSI {  261}
    (( segid "ocre" and resid 59   and name HN  ))
    (  segid "ocre" and resid 59   and name HG1%)
       3.200     3.200     2.800 peak   261 spectrum    2 weight  0.11000E+01 volume  0.12041E-02 ppm1      9.265 ppm2      0.830 CV     1
  ASSI {  263}
    (( segid "ocre" and resid 59   and name HN  ))
    (  segid "ocre" and resid 59   and name HG2%)
       3.200     1.300     1.300 peak   263 spectrum    2 weight  0.11000E+01 volume  0.11095E-02 ppm1      9.265 ppm2      0.630 CV     1
  ASSI {  266}
    (( segid "ocre" and resid 25   and name HN  ))
    (( segid "ocre" and resid 16   and name HN  ))
       2.600     0.800     0.800 peak   266 spectrum    2 weight  0.11000E+01 volume  0.25428E-02 ppm1      9.737 ppm2      9.434 CV     1
  ASSI {  274}
    (( segid "ocre" and resid 62   and name HN  ))
    (( segid "ocre" and resid 61   and name HN  ))
       2.800     1.000     1.000 peak   274 spectrum    2 weight  0.11000E+01 volume  0.26723E-02 ppm1      8.560 ppm2      8.791 CV     1
  ASSI {  300}
    (( segid "ocre" and resid 25   and name HN  ))
    (( segid "ocre" and resid 24   and name HA  ))
       2.400     0.700     0.700 peak   300 spectrum    2 weight  0.11000E+01 volume  0.43753E-02 ppm1      9.735 ppm2      5.243 CV     1
  ASSI {  307}
    (( segid "ocre" and resid 62   and name HN  ))
    (( segid "ocre" and resid 62   and name HA  ))
       2.400     0.700     0.700 peak   307 spectrum    2 weight  0.11000E+01 volume  0.76749E-02 ppm1      8.559 ppm2      4.448 CV     1
  ASSI {  313}
    (( segid "ocre" and resid 25   and name HN  ))
    (( segid "ocre" and resid 25   and name HB1 ))
       2.500     2.500     3.500 peak   313 spectrum    2 weight  0.11000E+01 volume  0.40255E-02 ppm1      9.736 ppm2      2.746 CV     1
  ASSI {  321}
    (( segid "ocre" and resid 62   and name HN  ))
    (  segid "ocre" and resid 62   and name HB% )
       2.500     0.800     0.800 peak   321 spectrum    2 weight  0.11000E+01 volume  0.63701E-02 ppm1      8.559 ppm2      1.466 CV     1
  ASSI {  322}
    (( segid "ocre" and resid 62   and name HN  ))
    (  segid "ocre" and resid 61   and name HB% )
       3.000     3.000     3.000 peak   322 spectrum    2 weight  0.11000E+01 volume  0.23162E-02 ppm1      8.560 ppm2      1.216 CV     1
  ASSI {  344}
    (( segid "ocre" and resid 44   and name HN  ))
    (( segid "ocre" and resid 46   and name HN  ))
       3.200     1.300     1.300 peak   344 spectrum    2 weight  0.11000E+01 volume  0.20078E-02 ppm1      8.302 ppm2      7.999 CV     1
  ASSI {  349}
    (( segid "ocre" and resid 44   and name HN  ))
    (( segid "ocre" and resid 45   and name HN  ))
       2.200     0.600     0.600 peak   349 spectrum    2 weight  0.11000E+01 volume  0.99721E-02 ppm1      8.303 ppm2      7.194 CV     1
  ASSI {  363}
    (( segid "ocre" and resid 25   and name HN  ))
    (( segid "ocre" and resid 25   and name HA  ))
       3.100     1.200     1.200 peak   363 spectrum    2 weight  0.11000E+01 volume  0.94637E-03 ppm1      9.735 ppm2      4.635 CV     1
  ASSI {  400}
    (( segid "ocre" and resid 49   and name HN  ))
    (  segid "ocre" and resid 49   and name HD1%)
       4.200     4.200     1.800 peak   400 spectrum    2 weight  0.11000E+01 volume  0.42028E-03 ppm1      9.694 ppm2      0.686 CV     1
  ASSI {  410}
    (( segid "ocre" and resid 33   and name HN  ))
    (( segid "ocre" and resid 24   and name HN  ))
       2.800     1.000     1.000 peak   410 spectrum    2 weight  0.11000E+01 volume  0.25526E-02 ppm1      9.850 ppm2      9.357 CV     1
  ASSI {  413}
    (( segid "ocre" and resid 49   and name HN  ))
    (( segid "ocre" and resid 48   and name HN  ))
       4.100     2.100     1.900 peak   413 spectrum    2 weight  0.11000E+01 volume  0.49624E-03 ppm1      9.695 ppm2      8.842 CV     1
  ASSI {  415}
    (( segid "ocre" and resid 41   and name HN  ))
    (( segid "ocre" and resid 32   and name HN  ))
       2.900     1.000     1.000 peak   415 spectrum    2 weight  0.11000E+01 volume  0.18885E-02 ppm1      9.619 ppm2      8.744 CV     1
  ASSI {  425}
    (( segid "ocre" and resid 64   and name HN  ))
    (( segid "ocre" and resid 63   and name HN  ))
       3.500     1.600     1.600 peak   425 spectrum    2 weight  0.11000E+01 volume  0.17964E-02 ppm1      8.089 ppm2      8.601 CV     1
  ASSI {  458}
    (( segid "ocre" and resid 49   and name HN  ))
    (( segid "ocre" and resid 48   and name HA  ))
       2.500     0.800     0.800 peak   458 spectrum    2 weight  0.11000E+01 volume  0.27751E-02 ppm1      9.696 ppm2      5.575 CV     1
  ASSI {  460}
    (( segid "ocre" and resid 33   and name HN  ))
    (( segid "ocre" and resid 32   and name HA  ))
       2.500     2.500     3.500 peak   460 spectrum    2 weight  0.11000E+01 volume  0.40909E-02 ppm1      9.848 ppm2      5.467 CV     1
  ASSI {  464}
    (( segid "ocre" and resid 41   and name HN  ))
    (( segid "ocre" and resid 41   and name HA  ))
       3.000     1.100     1.100 peak   464 spectrum    2 weight  0.11000E+01 volume  0.10083E-02 ppm1      9.618 ppm2      5.077 CV     1
  ASSI {  465}
    (( segid "ocre" and resid 33   and name HN  ))
    (( segid "ocre" and resid 33   and name HA  ))
       3.000     1.100     1.100 peak   465 spectrum    2 weight  0.11000E+01 volume  0.14022E-02 ppm1      9.847 ppm2      4.869 CV     1
  ASSI {  471}
    (( segid "ocre" and resid 7    and name HN  ))
    (( segid "ocre" and resid 7    and name HA  ))
       2.400     0.700     0.700 peak   471 spectrum    2 weight  0.11000E+01 volume  0.69788E-02 ppm1      8.450 ppm2      4.621 CV     1
  ASSI {  475}
    (( segid "ocre" and resid 7    and name HN  ))
    (( segid "ocre" and resid 6    and name HA  ))
       2.500     0.800     0.800 peak   475 spectrum    2 weight  0.11000E+01 volume  0.55548E-02 ppm1      8.449 ppm2      4.386 CV     1
  ASSI {  479}
    (( segid "ocre" and resid 64   and name HN  ))
    (( segid "ocre" and resid 64   and name HB1 ))
       3.400     1.500     1.500 peak   479 spectrum    2 weight  0.11000E+01 volume  0.85446E-03 ppm1      8.088 ppm2      3.839 CV     1
  ASSI {  488}
    (( segid "ocre" and resid 7    and name HN  ))
    (( segid "ocre" and resid 7    and name HB1 ))
       3.800     3.800     2.200 peak   488 spectrum    2 weight  0.11000E+01 volume  0.98354E-03 ppm1      8.450 ppm2      3.259 CV     1
  ASSI {  494}
    (( segid "ocre" and resid 41   and name HN  ))
    (( segid "ocre" and resid 41   and name HB1 ))
       2.700     2.700     3.300 peak   494 spectrum    2 weight  0.11000E+01 volume  0.21269E-02 ppm1      9.619 ppm2      2.694 CV     1
  ASSI {  495}
    (( segid "ocre" and resid 7    and name HN  ))
    (( segid "ocre" and resid 7    and name HB2 ))
       2.900     2.900     3.100 peak   495 spectrum    2 weight  0.11000E+01 volume  0.18962E-02 ppm1      8.449 ppm2      2.874 CV     1
  ASSI {  496}
    (( segid "ocre" and resid 33   and name HN  ))
    (( segid "ocre" and resid 33   and name HB2 ))
       3.300     3.300     2.700 peak   496 spectrum    2 weight  0.11000E+01 volume  0.16216E-02 ppm1      9.849 ppm2      2.482 CV     1
  ASSI {  497}
    (( segid "ocre" and resid 41   and name HN  ))
    (( segid "ocre" and resid 41   and name HB2 ))
       3.600     1.600     1.600 peak   497 spectrum    2 weight  0.11000E+01 volume  0.11836E-02 ppm1      9.617 ppm2      2.478 CV     1
  ASSI {  562}
    (( segid "ocre" and resid 58   and name HN  ))
    (( segid "ocre" and resid 57   and name HN  ))
       3.500     3.500     2.500 peak   562 spectrum    2 weight  0.11000E+01 volume  0.11941E-02 ppm1      7.580 ppm2      6.550 CV     1
  ASSI {  568}
    (( segid "ocre" and resid 15   and name HN  ))
    (( segid "ocre" and resid 15   and name HA  ))
       3.000     3.000     3.000 peak   568 spectrum    2 weight  0.11000E+01 volume  0.14074E-02 ppm1      7.427 ppm2      4.991 CV     1
  ASSI {  577}
    (( segid "ocre" and resid 11   and name HN  ))
    (( segid "ocre" and resid 11   and name HA  ))
       3.000     1.100     1.100 peak   577 spectrum    2 weight  0.11000E+01 volume  0.17033E-02 ppm1      8.246 ppm2      4.572 CV     1
  ASSI {  580}
    (( segid "ocre" and resid 15   and name HN  ))
    (( segid "ocre" and resid 26   and name HA  ))
       4.200     4.200     1.800 peak   580 spectrum    2 weight  0.11000E+01 volume  0.83087E-03 ppm1      7.429 ppm2      4.652 CV     1
  ASSI {  581}
    (( segid "ocre" and resid 58   and name HN  ))
    (( segid "ocre" and resid 58   and name HA  ))
       3.300     1.400     1.400 peak   581 spectrum    2 weight  0.11000E+01 volume  0.81501E-03 ppm1      7.582 ppm2      4.897 CV     1
  ASSI {  589}
    (( segid "ocre" and resid 11   and name HN  ))
    (( segid "ocre" and resid 10   and name HA  ))
       2.200     0.600     0.600 peak   589 spectrum    2 weight  0.11000E+01 volume  0.89834E-02 ppm1      8.245 ppm2      3.879 CV     1
  ASSI {  596}
    (( segid "ocre" and resid 15   and name HN  ))
    (( segid "ocre" and resid 15   and name HB1 ))
       3.400     3.400     2.600 peak   596 spectrum    2 weight  0.11000E+01 volume  0.22087E-02 ppm1      7.427 ppm2      3.234 CV     1
  ASSI {  609}
    (( segid "ocre" and resid 58   and name HN  ))
    (( segid "ocre" and resid 58   and name HB1 ))
       3.900     3.900     2.100 peak   609 spectrum    2 weight  0.11000E+01 volume  0.10377E-02 ppm1      7.584 ppm2      2.603 CV     1
  ASSI {  613}
    (( segid "ocre" and resid 63   and name HN  ))
    (( segid "ocre" and resid 63   and name HB2 ))
       2.900     1.100     1.100 peak   613 spectrum    2 weight  0.11000E+01 volume  0.19250E-02 ppm1      8.595 ppm2      1.970 CV     1
  ASSI {  616}
    (( segid "ocre" and resid 11   and name HN  ))
    (( segid "ocre" and resid 10   and name HB1 ))
       3.800     1.800     1.800 peak   616 spectrum    2 weight  0.11000E+01 volume  0.77959E-03 ppm1      8.246 ppm2      1.830 CV     1
  ASSI {  626}
    (( segid "ocre" and resid 58   and name HN  ))
    (  segid "ocre" and resid 57   and name HG2%)
       3.800     1.800     1.800 peak   626 spectrum    2 weight  0.11000E+01 volume  0.61207E-03 ppm1      7.585 ppm2      0.780 CV     1
  ASSI {  645}
    (( segid "ocre" and resid 54   and name HN  ))
    (( segid "ocre" and resid 53   and name HN  ))
       2.700     0.900     0.900 peak   645 spectrum    2 weight  0.11000E+01 volume  0.33378E-02 ppm1      8.195 ppm2      8.566 CV     1
  ASSI {  646}
    (( segid "ocre" and resid 9    and name HN  ))
    (( segid "ocre" and resid 8    and name HN  ))
       3.500     1.500     1.500 peak   646 spectrum    2 weight  0.11000E+01 volume  0.14425E-02 ppm1      8.045 ppm2      8.382 CV     1
  ASSI {  667}
    (( segid "ocre" and resid 54   and name HN  ))
    (( segid "ocre" and resid 56   and name HN  ))
       3.200     1.300     1.300 peak   667 spectrum    2 weight  0.11000E+01 volume  0.18515E-02 ppm1      8.196 ppm2      7.861 CV     1
  ASSI {  668}
    (( segid "ocre" and resid 54   and name HN  ))
    (( segid "ocre" and resid 55   and name HN  ))
       2.200     0.600     0.600 peak   668 spectrum    2 weight  0.11000E+01 volume  0.10081E-01 ppm1      8.194 ppm2      7.682 CV     1
  ASSI {  675}
    (( segid "ocre" and resid 16   and name HN  ))
    (( segid "ocre" and resid 24   and name HA  ))
       3.200     1.300     1.300 peak   675 spectrum    2 weight  0.11000E+01 volume  0.44587E-02 ppm1      9.427 ppm2      5.228 CV     1
  ASSI {  677}
    (( segid "ocre" and resid 16   and name HN  ))
    (( segid "ocre" and resid 26   and name HA  ))
       3.900     1.900     1.900 peak   677 spectrum    2 weight  0.11000E+01 volume  0.40649E-03 ppm1      9.427 ppm2      4.660 CV     1
  ASSI {  696}
    (( segid "ocre" and resid 9    and name HN  ))
    (( segid "ocre" and resid 9    and name HA  ))
       2.800     1.000     1.000 peak   696 spectrum    2 weight  0.11000E+01 volume  0.20103E-02 ppm1      8.042 ppm2      3.818 CV     1
  ASSI {  704}
    (( segid "ocre" and resid 16   and name HN  ))
    (( segid "ocre" and resid 16   and name HB1 ))
       2.900     1.000     1.000 peak   704 spectrum    2 weight  0.11000E+01 volume  0.22393E-02 ppm1      9.427 ppm2      2.260 CV     1
  ASSI {  705}
    (( segid "ocre" and resid 54   and name HN  ))
    (( segid "ocre" and resid 54   and name HG1 ))
       2.500     2.500     3.500 peak   705 spectrum    2 weight  0.11000E+01 volume  0.88408E-02 ppm1      8.196 ppm2      2.281 CV     1
  ASSI {  706}
    (( segid "ocre" and resid 54   and name HN  ))
    (( segid "ocre" and resid 54   and name HG2 ))
       2.600     2.600     3.400 peak   706 spectrum    2 weight  0.11000E+01 volume  0.65521E-02 ppm1      8.194 ppm2      2.061 CV     1
  ASSI {  708}
    (( segid "ocre" and resid 9    and name HN  ))
    (( segid "ocre" and resid 9    and name HB  ))
       2.500     0.800     0.800 peak   708 spectrum    2 weight  0.11000E+01 volume  0.43214E-02 ppm1      8.043 ppm2      1.896 CV     1
  ASSI {  712}
    (( segid "ocre" and resid 9    and name HN  ))
    (  segid "ocre" and resid 8    and name HB% )
       2.600     0.800     0.800 peak   712 spectrum    2 weight  0.11000E+01 volume  0.34354E-02 ppm1      8.045 ppm2      1.333 CV     1
  ASSI {  714}
    (( segid "ocre" and resid 9    and name HN  ))
    (  segid "ocre" and resid 9    and name HG1%)
       2.600     0.900     0.900 peak   714 spectrum    2 weight  0.11000E+01 volume  0.41726E-02 ppm1      8.044 ppm2      0.988 CV     1
  ASSI {  727}
    (( segid "ocre" and resid 43   and name HN  ))
    (( segid "ocre" and resid 32   and name HN  ))
       4.300     2.300     1.700 peak   727 spectrum    2 weight  0.11000E+01 volume  0.34106E-03 ppm1      9.088 ppm2      8.749 CV     1
  ASSI {  744}
    (( segid "ocre" and resid 43   and name HN  ))
    (( segid "ocre" and resid 45   and name HN  ))
       4.100     2.100     1.900 peak   744 spectrum    2 weight  0.11000E+01 volume  0.47070E-03 ppm1      9.095 ppm2      7.197 CV     1
  ASSI {  754}
    (( segid "ocre" and resid 31   and name HN  ))
    (( segid "ocre" and resid 29   and name HN  ))
       3.400     1.400     1.400 peak   754 spectrum    2 weight  0.11000E+01 volume  0.13886E-02 ppm1      7.546 ppm2      6.738 CV     1
  ASSI {  764}
    (( segid "ocre" and resid 31   and name HN  ))
    (( segid "ocre" and resid 31   and name HA  ))
       3.000     1.100     1.100 peak   764 spectrum    2 weight  0.11000E+01 volume  0.14308E-02 ppm1      7.545 ppm2      4.545 CV     1
  ASSI {  766}
    (( segid "ocre" and resid 43   and name HN  ))
    (( segid "ocre" and resid 43   and name HB1 ))
       2.600     0.800     0.800 peak   766 spectrum    2 weight  0.11000E+01 volume  0.27555E-02 ppm1      9.096 ppm2      4.065 CV     1
  ASSI {  767}
    (( segid "ocre" and resid 43   and name HN  ))
    (( segid "ocre" and resid 43   and name HA  ))
       2.700     0.900     0.900 peak   767 spectrum    2 weight  0.11000E+01 volume  0.23163E-02 ppm1      9.094 ppm2      3.819 CV     1
  ASSI {  793}
    (( segid "ocre" and resid 23   and name HN  ))
    (( segid "ocre" and resid 24   and name HN  ))
       3.900     1.900     1.900 peak   793 spectrum    2 weight  0.11000E+01 volume  0.69552E-03 ppm1      7.997 ppm2      9.353 CV     1
  ASSI {  804}
    (( segid "ocre" and resid 23   and name HN  ))
    (( segid "ocre" and resid 22   and name HN  ))
       2.300     0.600     0.600 peak   804 spectrum    2 weight  0.11000E+01 volume  0.75165E-02 ppm1      7.995 ppm2      8.371 CV     1
  ASSI {  821}
    (( segid "ocre" and resid 40   and name HN  ))
    (( segid "ocre" and resid 40   and name HA  ))
       2.700     2.700     3.300 peak   821 spectrum    2 weight  0.11000E+01 volume  0.29089E-02 ppm1      9.790 ppm2      5.612 CV     1
  ASSI {  824}
    (( segid "ocre" and resid 23   and name HN  ))
    (( segid "ocre" and resid 23   and name HA  ))
       3.000     3.000     3.000 peak   824 spectrum    2 weight  0.11000E+01 volume  0.16632E-02 ppm1      7.996 ppm2      5.190 CV     1
  ASSI {  839}
    (( segid "ocre" and resid 13   and name HN  ))
    (( segid "ocre" and resid 13   and name HB1 ))
       2.700     0.900     0.900 peak   839 spectrum    2 weight  0.11000E+01 volume  0.39027E-02 ppm1      8.329 ppm2      3.874 CV     1
  ASSI {  847}
    (( segid "ocre" and resid 23   and name HN  ))
    (( segid "ocre" and resid 23   and name HB1 ))
       3.500     1.500     1.500 peak   847 spectrum    2 weight  0.11000E+01 volume  0.16990E-02 ppm1      7.995 ppm2      3.489 CV     1
  ASSI {  851}
    (( segid "ocre" and resid 23   and name HN  ))
    (( segid "ocre" and resid 23   and name HB2 ))
       2.600     0.900     0.900 peak   851 spectrum    2 weight  0.11000E+01 volume  0.27686E-02 ppm1      7.994 ppm2      3.115 CV     1
  ASSI {  852}
    (( segid "ocre" and resid 40   and name HN  ))
    (( segid "ocre" and resid 40   and name HB1 ))
       4.100     2.100     1.900 peak   852 spectrum    2 weight  0.11000E+01 volume  0.77210E-03 ppm1      9.794 ppm2      2.897 CV     1
  ASSI {  856}
    (( segid "ocre" and resid 13   and name HN  ))
    (( segid "ocre" and resid 12   and name HA  ))
       3.400     1.400     1.400 peak   856 spectrum    2 weight  0.11000E+01 volume  0.79211E-03 ppm1      8.332 ppm2      2.468 CV     1
  ASSI {  862}
    (( segid "ocre" and resid 13   and name HN  ))
    (  segid "ocre" and resid 14   and name HG2%)
       4.100     2.100     1.900 peak   862 spectrum    2 weight  0.11000E+01 volume  0.48937E-03 ppm1      8.327 ppm2      1.143 CV     1
  ASSI {  870}
    (( segid "ocre" and resid 50   and name HN  ))
    (( segid "ocre" and resid 59   and name HN  ))
       2.800     1.000     1.000 peak   870 spectrum    2 weight  0.11000E+01 volume  0.22590E-02 ppm1      9.483 ppm2      9.269 CV     1
  ASSI {  888}
    (( segid "ocre" and resid 55   and name HN  ))
    (( segid "ocre" and resid 56   and name HN  ))
       2.600     0.800     0.800 peak   888 spectrum    2 weight  0.11000E+01 volume  0.35902E-02 ppm1      7.684 ppm2      7.860 CV     1
  ASSI {  919}
    (( segid "ocre" and resid 55   and name HN  ))
    (( segid "ocre" and resid 55   and name HD1 ))
       3.300     1.300     1.300 peak   919 spectrum    2 weight  0.11000E+01 volume  0.20049E-02 ppm1      7.685 ppm2      1.328 CV     1
  ASSI {  983}
    (( segid "ocre" and resid 46   and name HN  ))
    (( segid "ocre" and resid 46   and name HA  ))
       2.200     0.600     0.600 peak   983 spectrum    2 weight  0.11000E+01 volume  0.65048E-02 ppm1      8.002 ppm2      3.584 CV     1
  ASSI {  984}
    (( segid "ocre" and resid 24   and name HN  ))
    (( segid "ocre" and resid 24   and name HB1 ))
       3.300     1.300     1.300 peak   984 spectrum    2 weight  0.11000E+01 volume  0.30025E-02 ppm1      9.351 ppm2      3.370 CV     1
  ASSI {  985}
    (( segid "ocre" and resid 24   and name HN  ))
    (( segid "ocre" and resid 24   and name HB2 ))
       2.900     1.000     1.000 peak   985 spectrum    2 weight  0.11000E+01 volume  0.14756E-02 ppm1      9.351 ppm2      3.133 CV     1
  ASSI {  997}
    (( segid "ocre" and resid 46   and name HN  ))
    (( segid "ocre" and resid 46   and name HG2 ))
       3.600     1.600     1.600 peak   997 spectrum    2 weight  0.11000E+01 volume  0.15388E-02 ppm1      8.002 ppm2      2.101 CV     1
  ASSI { 1011}
    (( segid "ocre" and resid 47   and name HN  ))
    (( segid "ocre" and resid 48   and name HN  ))
       3.900     1.900     1.900 peak  1011 spectrum    2 weight  0.11000E+01 volume  0.64355E-03 ppm1      7.038 ppm2      8.839 CV     1
  ASSI { 1024}
    (( segid "ocre" and resid 47   and name HN  ))
    (( segid "ocre" and resid 42   and name HN  ))
       3.000     1.100     1.100 peak  1024 spectrum    2 weight  0.11000E+01 volume  0.17477E-02 ppm1      7.044 ppm2      8.234 CV     1
  ASSI { 1025}
    (( segid "ocre" and resid 47   and name HN  ))
    (( segid "ocre" and resid 46   and name HN  ))
       2.400     0.800     0.800 peak  1025 spectrum    2 weight  0.11000E+01 volume  0.56347E-02 ppm1      7.043 ppm2      8.001 CV     1
  ASSI { 1036}
    (( segid "ocre" and resid 56   and name HN  ))
    (( segid "ocre" and resid 57   and name HN  ))
       3.200     1.200     1.200 peak  1036 spectrum    2 weight  0.11000E+01 volume  0.12674E-02 ppm1      7.864 ppm2      6.503 CV     1
  ASSI { 1038}
    (( segid "ocre" and resid 32   and name HN  ))
    (( segid "ocre" and resid 32   and name HA  ))
       3.300     3.300     2.700 peak  1038 spectrum    2 weight  0.11000E+01 volume  0.84437E-03 ppm1      8.739 ppm2      5.468 CV     1
  ASSI { 1055}
    (( segid "ocre" and resid 36   and name HN  ))
    (( segid "ocre" and resid 36   and name HA  ))
       2.700     2.700     3.300 peak  1055 spectrum    2 weight  0.11000E+01 volume  0.37020E-02 ppm1      8.129 ppm2      4.536 CV     1
  ASSI { 1068}
    (( segid "ocre" and resid 32   and name HN  ))
    (( segid "ocre" and resid 32   and name HB1 ))
       3.400     3.400     2.600 peak  1068 spectrum    2 weight  0.11000E+01 volume  0.22534E-02 ppm1      8.737 ppm2      3.122 CV     1
  ASSI { 1073}
    (( segid "ocre" and resid 56   and name HN  ))
    (( segid "ocre" and resid 56   and name HA  ))
       2.900     1.000     1.000 peak  1073 spectrum    2 weight  0.11000E+01 volume  0.18964E-02 ppm1      7.864 ppm2      3.027 CV     1
  ASSI { 1074}
    (( segid "ocre" and resid 36   and name HN  ))
    (( segid "ocre" and resid 36   and name HB1 ))
       2.900     2.900     3.100 peak  1074 spectrum    2 weight  0.11000E+01 volume  0.64849E-02 ppm1      8.129 ppm2      3.026 CV     1
  ASSI { 1075}
    (( segid "ocre" and resid 36   and name HN  ))
    (( segid "ocre" and resid 36   and name HB2 ))
       2.600     2.600     3.400 peak  1075 spectrum    2 weight  0.11000E+01 volume  0.30702E-02 ppm1      8.129 ppm2      2.839 CV     1
  ASSI { 1080}
    (( segid "ocre" and resid 56   and name HN  ))
    (( segid "ocre" and resid 56   and name HB1 ))
       3.900     1.900     1.900 peak  1080 spectrum    2 weight  0.11000E+01 volume  0.81395E-03 ppm1      7.865 ppm2      2.097 CV     1
  ASSI { 1082}
    (( segid "ocre" and resid 47   and name HN  ))
    (( segid "ocre" and resid 47   and name HG1 ))
       3.100     1.200     1.200 peak  1082 spectrum    2 weight  0.11000E+01 volume  0.18286E-02 ppm1      7.043 ppm2      2.290 CV     1
  ASSI { 1085}
    (( segid "ocre" and resid 47   and name HN  ))
    (( segid "ocre" and resid 47   and name HB1 ))
       3.400     1.400     1.400 peak  1085 spectrum    2 weight  0.11000E+01 volume  0.23056E-02 ppm1      7.043 ppm2      1.885 CV     1
  ASSI { 1086}
    (( segid "ocre" and resid 47   and name HN  ))
    (( segid "ocre" and resid 47   and name HB2 ))
       2.800     1.000     1.000 peak  1086 spectrum    2 weight  0.11000E+01 volume  0.18630E-02 ppm1      7.042 ppm2      1.656 CV     1
  ASSI { 1090}
    (( segid "ocre" and resid 39   and name HN  ))
    (( segid "ocre" and resid 40   and name HN  ))
       4.300     2.300     1.700 peak  1090 spectrum    2 weight  0.11000E+01 volume  0.49482E-03 ppm1      7.648 ppm2      9.787 CV     1
  ASSI { 1100}
    (( segid "ocre" and resid 39   and name HN  ))
    (( segid "ocre" and resid 38   and name HN  ))
       2.400     0.700     0.700 peak  1100 spectrum    2 weight  0.11000E+01 volume  0.62881E-02 ppm1      7.648 ppm2      8.183 CV     1
  ASSI { 1131}
    (( segid "ocre" and resid 39   and name HN  ))
    (( segid "ocre" and resid 39   and name HA  ))
       3.100     3.100     2.900 peak  1131 spectrum    2 weight  0.11000E+01 volume  0.14518E-02 ppm1      7.648 ppm2      5.374 CV     1
  ASSI { 1143}
    (( segid "ocre" and resid 39   and name HN  ))
    (( segid "ocre" and resid 38   and name HA  ))
       2.900     1.000     1.000 peak  1143 spectrum    2 weight  0.11000E+01 volume  0.24486E-02 ppm1      7.648 ppm2      3.684 CV     1
  ASSI { 1145}
    (( segid "ocre" and resid 39   and name HN  ))
    (( segid "ocre" and resid 39   and name HB2 ))
       3.200     1.300     1.300 peak  1145 spectrum    2 weight  0.11000E+01 volume  0.31493E-02 ppm1      7.649 ppm2      3.055 CV     1
  ASSI { 1192}
    (( segid "ocre" and resid 38   and name HN  ))
    (( segid "ocre" and resid 37   and name HN  ))
       2.200     0.600     0.600 peak  1192 spectrum    2 weight  0.11000E+01 volume  0.95460E-02 ppm1      8.185 ppm2      7.389 CV     1
  ASSI { 1212}
    (( segid "ocre" and resid 5    and name HN  ))
    (( segid "ocre" and resid 5    and name HA  ))
       2.800     1.000     1.000 peak  1212 spectrum    2 weight  0.11000E+01 volume  0.30830E-02 ppm1      8.143 ppm2      4.215 CV     1
  ASSI { 1217}
    (( segid "ocre" and resid 38   and name HN  ))
    (( segid "ocre" and resid 38   and name HA  ))
       2.300     0.700     0.700 peak  1217 spectrum    2 weight  0.11000E+01 volume  0.66246E-02 ppm1      8.184 ppm2      3.688 CV     1
  ASSI { 1223}
    (( segid "ocre" and resid 38   and name HN  ))
    (( segid "ocre" and resid 38   and name HG1 ))
       3.100     3.100     2.900 peak  1223 spectrum    2 weight  0.11000E+01 volume  0.13567E-02 ppm1      8.184 ppm2      2.298 CV     1
  ASSI { 1230}
    (( segid "ocre" and resid 21   and name HN  ))
    (( segid "ocre" and resid 22   and name HN  ))
       2.000     0.500     0.500 peak  1230 spectrum    2 weight  0.11000E+01 volume  0.11602E-01 ppm1      7.460 ppm2      8.370 CV     1
  ASSI { 1235}
    (( segid "ocre" and resid 21   and name HN  ))
    (( segid "ocre" and resid 20   and name HN  ))
       2.400     0.700     0.700 peak  1235 spectrum    2 weight  0.11000E+01 volume  0.53391E-02 ppm1      7.459 ppm2      8.219 CV     1
  ASSI { 1272}
    (( segid "ocre" and resid 21   and name HN  ))
    (( segid "ocre" and resid 21   and name HA  ))
       2.800     1.000     1.000 peak  1272 spectrum    2 weight  0.11000E+01 volume  0.24330E-02 ppm1      7.458 ppm2      4.302 CV     1
  ASSI { 1275}
    (( segid "ocre" and resid 21   and name HN  ))
    (( segid "ocre" and resid 21   and name HB1 ))
       3.100     1.200     1.200 peak  1275 spectrum    2 weight  0.11000E+01 volume  0.16118E-02 ppm1      7.458 ppm2      3.533 CV     1
  ASSI { 1344}
    (( segid "ocre" and resid 37   and name HN  ))
    (( segid "ocre" and resid 37   and name HA  ))
       2.900     1.000     1.000 peak  1344 spectrum    2 weight  0.11000E+01 volume  0.22599E-02 ppm1      7.388 ppm2      4.204 CV     1
  ASSI { 1345}
    (( segid "ocre" and resid 20   and name HN  ))
    (( segid "ocre" and resid 20   and name HA  ))
       2.400     0.700     0.700 peak  1345 spectrum    2 weight  0.11000E+01 volume  0.77974E-02 ppm1      8.211 ppm2      4.120 CV     1
  ASSI { 1349}
    (( segid "ocre" and resid 20   and name HN  ))
    (( segid "ocre" and resid 19   and name HA  ))
       3.300     1.400     1.400 peak  1349 spectrum    2 weight  0.11000E+01 volume  0.10893E-02 ppm1      8.211 ppm2      3.628 CV     1
  ASSI { 1475}
    (( segid "ocre" and resid 30   and name HN  ))
    (( segid "ocre" and resid 31   and name HN  ))
       2.500     0.800     0.800 peak  1475 spectrum    2 weight  0.11000E+01 volume  0.48923E-02 ppm1      8.456 ppm2      7.545 CV     1
  ASSI { 1484}
    (( segid "ocre" and resid 30   and name HN  ))
    (( segid "ocre" and resid 29   and name HN  ))
       2.100     0.600     0.600 peak  1484 spectrum    2 weight  0.11000E+01 volume  0.11533E-01 ppm1      8.456 ppm2      6.738 CV     1
  ASSI { 1485}
    (( segid "ocre" and resid 28   and name HN  ))
    (( segid "ocre" and resid 29   and name HN  ))
       2.400     0.700     0.700 peak  1485 spectrum    2 weight  0.11000E+01 volume  0.68537E-02 ppm1      8.123 ppm2      6.737 CV     1
  ASSI { 1494}
    (( segid "ocre" and resid 22   and name HN  ))
    (( segid "ocre" and resid 22   and name HA1 ))
       3.000     1.100     1.100 peak  1494 spectrum    2 weight  0.11000E+01 volume  0.26059E-02 ppm1      8.366 ppm2      4.056 CV     1
  ASSI { 1496}
    (( segid "ocre" and resid 28   and name HN  ))
    (( segid "ocre" and resid 28   and name HA  ))
       2.600     0.900     0.900 peak  1496 spectrum    2 weight  0.11000E+01 volume  0.40690E-02 ppm1      8.122 ppm2      4.057 CV     1
  ASSI { 1511}
    (( segid "ocre" and resid 28   and name HN  ))
    (  segid "ocre" and resid 28   and name HG2%)
       2.700     2.700     3.300 peak  1511 spectrum    2 weight  0.11000E+01 volume  0.37165E-02 ppm1      8.123 ppm2      1.248 CV     1
  ASSI { 1518}
    (( segid "ocre" and resid 14   and name HN  ))
    (( segid "ocre" and resid 13   and name HN  ))
       2.600     0.800     0.800 peak  1518 spectrum    2 weight  0.11000E+01 volume  0.35914E-02 ppm1      7.510 ppm2      8.329 CV     1
  ASSI { 1544}
    (( segid "ocre" and resid 14   and name HN  ))
    (( segid "ocre" and resid 14   and name HA  ))
       2.900     1.100     1.100 peak  1544 spectrum    2 weight  0.11000E+01 volume  0.20663E-02 ppm1      7.509 ppm2      4.416 CV     1
  ASSI { 1609}
    (( segid "ocre" and resid 29   and name HN  ))
    (( segid "ocre" and resid 29   and name HA  ))
       2.700     0.900     0.900 peak  1609 spectrum    2 weight  0.11000E+01 volume  0.31268E-02 ppm1      6.743 ppm2      4.263 CV     1
  ASSI { 1612}
    (( segid "ocre" and resid 29   and name HN  ))
    (( segid "ocre" and resid 29   and name HB  ))
       3.700     1.700     1.700 peak  1612 spectrum    2 weight  0.11000E+01 volume  0.79231E-03 ppm1      6.743 ppm2      3.812 CV     1
  ASSI { 1618}
    (( segid "ocre" and resid 29   and name HN  ))
    (  segid "ocre" and resid 29   and name HG2%)
       2.800     1.000     1.000 peak  1618 spectrum    2 weight  0.11000E+01 volume  0.26627E-02 ppm1      6.743 ppm2      1.060 CV     1
  ASSI { 1640}
    (( segid "ocre" and resid 45   and name HN  ))
    (( segid "ocre" and resid 46   and name HN  ))
       2.100     0.500     0.500 peak  1640 spectrum    2 weight  0.11000E+01 volume  0.97647E-02 ppm1      7.188 ppm2      8.001 CV     1
  ASSI { 1676}
    (( segid "ocre" and resid 44   and name HN  ))
    (( segid "ocre" and resid 44   and name HA  ))
       3.200     1.300     1.300 peak  1676 spectrum    2 weight  0.11000E+01 volume  0.12611E-02 ppm1      8.303 ppm2      4.304 CV     1
  ASSI { 1680}
    (( segid "ocre" and resid 28   and name HN  ))
    (( segid "ocre" and resid 28   and name HB  ))
       2.700     0.900     0.900 peak  1680 spectrum    2 weight  0.11000E+01 volume  0.43717E-02 ppm1      8.123 ppm2      4.279 CV     1
  ASSI { 1681}
    (( segid "ocre" and resid 45   and name HN  ))
    (( segid "ocre" and resid 45   and name HA  ))
       3.100     1.200     1.200 peak  1681 spectrum    2 weight  0.11000E+01 volume  0.14986E-02 ppm1      7.187 ppm2      4.192 CV     1
  ASSI { 1682}
    (( segid "ocre" and resid 45   and name HN  ))
    (  segid "ocre" and resid 45   and name HG2%)
       3.100     1.200     1.200 peak  1682 spectrum    2 weight  0.11000E+01 volume  0.12886E-02 ppm1      7.188 ppm2      1.019 CV     1
  ASSI { 1688}
    (( segid "ocre" and resid 13   and name HN  ))
    (( segid "ocre" and resid 13   and name HA  ))
       2.700     0.900     0.900 peak  1688 spectrum    2 weight  0.11000E+01 volume  0.37447E-02 ppm1      8.330 ppm2      4.136 CV     1
  ASSI { 1689}
    (( segid "ocre" and resid 37   and name HN  ))
    (( segid "ocre" and resid 37   and name HB1 ))
       3.000     1.100     1.100 peak  1689 spectrum    2 weight  0.11000E+01 volume  0.27001E-02 ppm1      7.389 ppm2      3.680 CV     1
  ASSI { 1694}
    (( segid "ocre" and resid 42   and name HN  ))
    (( segid "ocre" and resid 42   and name HA  ))
       3.200     3.200     2.800 peak  1694 spectrum    2 weight  0.11000E+01 volume  0.10107E-02 ppm1      8.226 ppm2      4.862 CV     1
  ASSI { 1699}
    (( segid "ocre" and resid 11   and name HN  ))
    (( segid "ocre" and resid 11   and name HB1 ))
       3.000     1.100     1.100 peak  1699 spectrum    2 weight  0.11000E+01 volume  0.46455E-02 ppm1      8.245 ppm2      2.692 CV     1
  ASSI { 1700}
    (( segid "ocre" and resid 11   and name HN  ))
    (( segid "ocre" and resid 11   and name HB2 ))
       2.700     0.900     0.900 peak  1700 spectrum    2 weight  0.11000E+01 volume  0.24965E-02 ppm1      8.244 ppm2      2.463 CV     1
  ASSI { 1701}
    (( segid "ocre" and resid 18   and name HN  ))
    (( segid "ocre" and resid 25   and name HN  ))
       3.600     1.600     1.600 peak  1701 spectrum    2 weight  0.11000E+01 volume  0.76766E-03 ppm1      8.178 ppm2      9.737 CV     1
  ASSI { 1702}
    (( segid "ocre" and resid 18   and name HN  ))
    (( segid "ocre" and resid 17   and name HN  ))
       4.600     2.600     1.400 peak  1702 spectrum    2 weight  0.11000E+01 volume  0.28935E-03 ppm1      8.178 ppm2      9.490 CV     1
  ASSI { 1703}
    (( segid "ocre" and resid 18   and name HN  ))
    (( segid "ocre" and resid 19   and name HN  ))
       4.100     2.100     1.900 peak  1703 spectrum    2 weight  0.11000E+01 volume  0.50938E-03 ppm1      8.179 ppm2      8.763 CV     1
  ASSI { 1710}
    (( segid "ocre" and resid 18   and name HN  ))
    (( segid "ocre" and resid 24   and name HA  ))
       3.100     1.200     1.200 peak  1710 spectrum    2 weight  0.11000E+01 volume  0.14979E-02 ppm1      8.179 ppm2      5.246 CV     1
  ASSI { 1712}
    (( segid "ocre" and resid 18   and name HN  ))
    (( segid "ocre" and resid 18   and name HA  ))
       3.300     1.400     1.400 peak  1712 spectrum    2 weight  0.11000E+01 volume  0.10068E-02 ppm1      8.181 ppm2      4.748 CV     1
  ASSI { 1714}
    (( segid "ocre" and resid 18   and name HN  ))
    (( segid "ocre" and resid 17   and name HA  ))
       2.400     0.700     0.700 peak  1714 spectrum    2 weight  0.11000E+01 volume  0.52373E-02 ppm1      8.180 ppm2      3.959 CV     1
  ASSI { 1716}
    (( segid "ocre" and resid 18   and name HN  ))
    (( segid "ocre" and resid 18   and name HB1 ))
       3.300     1.400     1.400 peak  1716 spectrum    2 weight  0.11000E+01 volume  0.15305E-02 ppm1      8.178 ppm2      2.983 CV     1
  ASSI { 1719}
    (( segid "ocre" and resid 18   and name HN  ))
    (( segid "ocre" and resid 18   and name HB2 ))
       2.900     2.900     3.100 peak  1719 spectrum    2 weight  0.11000E+01 volume  0.16902E-02 ppm1      8.178 ppm2      2.381 CV     1
  ASSI { 1723}
    (( segid "ocre" and resid 52   and name HN  ))
    (( segid "ocre" and resid 53   and name HN  ))
       3.900     1.900     1.900 peak  1723 spectrum    2 weight  0.11000E+01 volume  0.33641E-03 ppm1      7.989 ppm2      8.571 CV     1
  ASSI { 1729}
    (( segid "ocre" and resid 52   and name HN  ))
    (( segid "ocre" and resid 52   and name HA  ))
       3.300     1.300     1.300 peak  1729 spectrum    2 weight  0.11000E+01 volume  0.11137E-02 ppm1      7.988 ppm2      4.593 CV     1
  ASSI { 1730}
    (( segid "ocre" and resid 52   and name HN  ))
    (( segid "ocre" and resid 51   and name HA  ))
       2.500     0.800     0.800 peak  1730 spectrum    2 weight  0.11000E+01 volume  0.44513E-02 ppm1      7.987 ppm2      4.354 CV     1
  ASSI { 1736}
    (( segid "ocre" and resid 52   and name HN  ))
    (( segid "ocre" and resid 52   and name HB2 ))
       3.200     1.300     1.300 peak  1736 spectrum    2 weight  0.11000E+01 volume  0.14527E-02 ppm1      7.988 ppm2      2.142 CV     1
  ASSI { 1740}
    (( segid "ocre" and resid 16   and name HN  ))
    (( segid "ocre" and resid 16   and name HA  ))
       3.000     3.000     3.000 peak  1740 spectrum    2 weight  0.11000E+01 volume  0.15152E-02 ppm1      9.420 ppm2      4.930 CV     1
  ASSI { 1744}
    (( segid "ocre" and resid 47   and name HN  ))
    (( segid "ocre" and resid 47   and name HA  ))
       3.200     1.300     1.300 peak  1744 spectrum    2 weight  0.11000E+01 volume  0.11137E-02 ppm1      7.040 ppm2      4.642 CV     1
  ASSI { 1749}
    (( segid "ocre" and resid 19   and name HN  ))
    (( segid "ocre" and resid 19   and name HA  ))
       3.100     1.200     1.200 peak  1749 spectrum    2 weight  0.11000E+01 volume  0.14299E-02 ppm1      8.761 ppm2      3.630 CV     1
  ASSI { 1750}
    (( segid "ocre" and resid 54   and name HN  ))
    (( segid "ocre" and resid 54   and name HA  ))
       2.800     1.000     1.000 peak  1750 spectrum    2 weight  0.11000E+01 volume  0.26878E-02 ppm1      8.194 ppm2      4.111 CV     1
  ASSI { 1757}
    (( segid "ocre" and resid 49   and name HN  ))
    (( segid "ocre" and resid 49   and name HG  ))
       3.100     1.200     1.200 peak  1757 spectrum    2 weight  0.11000E+01 volume  0.11860E-02 ppm1      9.695 ppm2      1.481 CV     1
  ASSI { 1758}
    (( segid "ocre" and resid 50   and name HN  ))
    (( segid "ocre" and resid 50   and name HA  ))
       2.900     1.100     1.100 peak  1758 spectrum    2 weight  0.11000E+01 volume  0.15758E-02 ppm1      9.483 ppm2      5.706 CV     1
  ASSI { 1760}
    (( segid "ocre" and resid 50   and name HN  ))
    (( segid "ocre" and resid 50   and name HB2 ))
       4.700     2.700     1.300 peak  1760 spectrum    2 weight  0.11000E+01 volume  0.22448E-03 ppm1      9.482 ppm2      3.080 CV     1
  ASSI { 1761}
    (( segid "ocre" and resid 50   and name HN  ))
    (( segid "ocre" and resid 50   and name HB1 ))
       3.400     1.400     1.400 peak  1761 spectrum    2 weight  0.11000E+01 volume  0.69256E-03 ppm1      9.484 ppm2      3.314 CV     1
  ASSI { 1762}
    (( segid "ocre" and resid 48   and name HN  ))
    (( segid "ocre" and resid 48   and name HA  ))
       3.400     3.400     2.600 peak  1762 spectrum    2 weight  0.11000E+01 volume  0.64388E-03 ppm1      8.847 ppm2      5.576 CV     1
  ASSI { 1768}
    (( segid "ocre" and resid 40   and name HN  ))
    (( segid "ocre" and resid 39   and name HA  ))
       2.800     2.800     3.200 peak  1768 spectrum    2 weight  0.11000E+01 volume  0.20049E-02 ppm1      9.784 ppm2      5.373 CV     1
  ASSI { 1770}
    (( segid "ocre" and resid 30   and name HN  ))
    (( segid "ocre" and resid 30   and name HA2 ))
       2.600     0.900     0.900 peak  1770 spectrum    2 weight  0.11000E+01 volume  0.30190E-02 ppm1      8.455 ppm2      3.550 CV     1
  ASSI { 1772}
    (( segid "ocre" and resid 30   and name HN  ))
    (( segid "ocre" and resid 30   and name HA1 ))
       3.200     1.300     1.300 peak  1772 spectrum    2 weight  0.11000E+01 volume  0.17590E-02 ppm1      8.455 ppm2      4.025 CV     1
  ASSI { 1775}
    (( segid "ocre" and resid 28   and name HN  ))
    (( segid "ocre" and resid 30   and name HN  ))
       3.200     1.300     1.300 peak  1775 spectrum    2 weight  0.11000E+01 volume  0.12904E-02 ppm1      8.123 ppm2      8.460 CV     1
  ASSI { 1777}
    (( segid "ocre" and resid 22   and name HN  ))
    (( segid "ocre" and resid 22   and name HA2 ))
       2.500     0.800     0.800 peak  1777 spectrum    2 weight  0.11000E+01 volume  0.36733E-02 ppm1      8.366 ppm2      3.676 CV     1
  ASSI { 1778}
    (( segid "ocre" and resid 8    and name HN  ))
    (( segid "ocre" and resid 7    and name HB2 ))
       3.800     1.800     1.800 peak  1778 spectrum    2 weight  0.11000E+01 volume  0.54427E-03 ppm1      8.390 ppm2      2.869 CV     1
  ASSI { 1780}
    (( segid "ocre" and resid 61   and name HN  ))
    (( segid "ocre" and resid 60   and name HB1 ))
       3.800     1.800     1.800 peak  1780 spectrum    2 weight  0.11000E+01 volume  0.87500E-03 ppm1      8.781 ppm2      2.330 CV     1
  ASSI { 1790}
    (( segid "ocre" and resid 36   and name HN  ))
    (( segid "ocre" and resid 37   and name HN  ))
       2.900     2.900     3.100 peak  1790 spectrum    2 weight  0.11000E+01 volume  0.20908E-02 ppm1      8.130 ppm2      7.388 CV     1
  ASSI { 1791}
    (( segid "ocre" and resid 11   and name HN  ))
    (( segid "ocre" and resid 10   and name HB2 ))
       3.700     1.700     1.700 peak  1791 spectrum    2 weight  0.11000E+01 volume  0.76820E-03 ppm1      8.244 ppm2      1.333 CV     1
  ASSI { 1797}
    (( segid "ocre" and resid 33   and name HN  ))
    (( segid "ocre" and resid 34   and name HN  ))
       5.000     3.100     1.000 peak  1797 spectrum    2 weight  0.11000E+01 volume  0.15494E-03 ppm1      9.850 ppm2      8.135 CV     1
  ASSI { 1801}
    (( segid "ocre" and resid 61   and name HN  ))
    (  segid "ocre" and resid 61   and name HB% )
       2.700     2.700     3.300 peak  1801 spectrum    2 weight  0.11000E+01 volume  0.36414E-02 ppm1      8.778 ppm2      1.201 CV     1
  ASSI { 1804}
    (( segid "ocre" and resid 21   and name HN  ))
    (( segid "ocre" and resid 23   and name HN  ))
       3.800     1.800     1.800 peak  1804 spectrum    2 weight  0.11000E+01 volume  0.13052E-02 ppm1      7.464 ppm2      7.998 CV     1
  ASSI {    2}
    (  segid "ocre" and resid 7    and name HD% )
    (  segid "ocre" and resid 7    and name HE% )
       2.100     2.100     3.900 peak     2 spectrum    3 weight  0.11000E+01 volume  0.16276E-01 ppm1      7.234 ppm2      6.813 CV     1
  ASSI {    6}
    (  segid "ocre" and resid 40   and name HD% )
    (  segid "ocre" and resid 33   and name HE% )
       3.800     3.800     2.200 peak     6 spectrum    3 weight  0.11000E+01 volume  0.52832E-03 ppm1      7.262 ppm2      6.369 CV     1
  ASSI {   27}
    (  segid "ocre" and resid 48   and name HD% )
    (( segid "sm_n" and resid 106  and name HB1 ))
       4.900     4.900     1.100 peak    27 spectrum    3 weight  0.11000E+01 volume  0.13495E-03 ppm1      7.255 ppm2      2.181 CV     1
  ASSI {   35}
    (  segid "ocre" and resid 32   and name HD% )
    (( segid "sm_n" and resid 108  and name HG21))
       5.000     5.000     1.000 peak    35 spectrum    3 weight  0.11000E+01 volume  0.19268E-03 ppm1      7.294 ppm2      0.849 CV     1
  ASSI {   36}
    (  segid "ocre" and resid 32   and name HD% )
    (( segid "sm_n" and resid 108  and name HD11))
       4.600     4.600     1.400 peak    36 spectrum    3 weight  0.11000E+01 volume  0.20743E-03 ppm1      7.295 ppm2      0.771 CV     1
  ASSI {   46}
    (  segid "ocre" and resid 24   and name HD% )
    (( segid "ocre" and resid 24   and name HA  ))
       3.500     1.500     1.500 peak    46 spectrum    3 weight  0.11000E+01 volume  0.70102E-03 ppm1      7.237 ppm2      5.261 CV     1
  ASSI {   48}
    (  segid "ocre" and resid 24   and name HD% )
    (( segid "ocre" and resid 35   and name HD1 ))
       3.300     1.400     1.400 peak    48 spectrum    3 weight  0.11000E+01 volume  0.58656E-03 ppm1      7.233 ppm2      4.314 CV     1
  ASSI {   53}
    (  segid "ocre" and resid 24   and name HD% )
    (( segid "ocre" and resid 24   and name HB1 ))
       3.000     1.100     1.100 peak    53 spectrum    3 weight  0.11000E+01 volume  0.14383E-02 ppm1      7.234 ppm2      3.346 CV     1
  ASSI {  127}
    (( segid "ocre" and resid 51   and name HZ2 ))
    (( segid "ocre" and resid 51   and name HH2 ))
       2.600     0.800     0.800 peak   127 spectrum    3 weight  0.11000E+01 volume  0.42359E-02 ppm1      7.122 ppm2      6.690 CV     1
  ASSI {  128}
    (( segid "ocre" and resid 51   and name HZ2 ))
    (( segid "ocre" and resid 51   and name HZ3 ))
       4.700     2.700     1.300 peak   128 spectrum    3 weight  0.11000E+01 volume  0.29815E-03 ppm1      7.120 ppm2      6.134 CV     1
  ASSI {  134}
    (( segid "ocre" and resid 51   and name HZ2 ))
    (( segid "ocre" and resid 56   and name HA  ))
       3.300     1.300     1.300 peak   134 spectrum    3 weight  0.11000E+01 volume  0.11633E-02 ppm1      7.121 ppm2      2.981 CV     1
  ASSI {  153}
    (  segid "ocre" and resid 50   and name HD% )
    (  segid "ocre" and resid 50   and name HE% )
       2.000     0.500     0.500 peak   153 spectrum    3 weight  0.11000E+01 volume  0.19416E-01 ppm1      7.005 ppm2      6.770 CV     1
  ASSI {  163}
    (  segid "ocre" and resid 50   and name HD% )
    (( segid "ocre" and resid 51   and name HA  ))
       4.200     2.200     1.800 peak   163 spectrum    3 weight  0.11000E+01 volume  0.26966E-03 ppm1      7.003 ppm2      4.358 CV     1
  ASSI {  165}
    (  segid "ocre" and resid 50   and name HD% )
    (( segid "ocre" and resid 50   and name HB1 ))
       2.600     0.800     0.800 peak   165 spectrum    3 weight  0.11000E+01 volume  0.37846E-02 ppm1      7.004 ppm2      3.299 CV     1
  ASSI {  176}
    (  segid "ocre" and resid 50   and name HD% )
    (  segid "ocre" and resid 59   and name HG2%)
       3.200     1.300     1.300 peak   176 spectrum    3 weight  0.11000E+01 volume  0.11893E-02 ppm1      7.004 ppm2      0.595 CV     1
  ASSI {  180}
    (  segid "ocre" and resid 23   and name HD% )
    (  segid "ocre" and resid 23   and name HE% )
       2.100     2.100     3.900 peak   180 spectrum    3 weight  0.11000E+01 volume  0.71135E-02 ppm1      6.935 ppm2      6.565 CV     1
  ASSI {  251}
    (( segid "ocre" and resid 51   and name HD1 ))
    (( segid "ocre" and resid 51   and name HB1 ))
       2.800     1.000     1.000 peak   251 spectrum    3 weight  0.11000E+01 volume  0.21860E-02 ppm1      6.915 ppm2      3.211 CV     1
  ASSI {  277}
    (( segid "ocre" and resid 51   and name HH2 ))
    (( segid "ocre" and resid 51   and name HE3 ))
       5.000     3.200     1.000 peak   277 spectrum    3 weight  0.11000E+01 volume  0.18094E-03 ppm1      6.690 ppm2      5.387 CV     1
  ASSI {  281}
    (( segid "ocre" and resid 51   and name HH2 ))
    (( segid "ocre" and resid 56   and name HA  ))
       3.400     1.500     1.500 peak   281 spectrum    3 weight  0.11000E+01 volume  0.72499E-03 ppm1      6.689 ppm2      2.982 CV     1
  ASSI {  282}
    (( segid "ocre" and resid 51   and name HH2 ))
    (( segid "ocre" and resid 7    and name HB2 ))
       3.600     1.600     1.600 peak   282 spectrum    3 weight  0.11000E+01 volume  0.64252E-03 ppm1      6.689 ppm2      2.845 CV     1
  ASSI {  285}
    (( segid "ocre" and resid 51   and name HH2 ))
    (( segid "ocre" and resid 56   and name HB2 ))
       3.800     1.800     1.800 peak   285 spectrum    3 weight  0.11000E+01 volume  0.12393E-02 ppm1      6.691 ppm2      2.095 CV     1
  ASSI {  296}
    (  segid "ocre" and resid 24   and name HE% )
    (  segid "ocre" and resid 24   and name HD% )
       2.000     0.500     0.500 peak   296 spectrum    3 weight  0.11000E+01 volume  0.16485E-01 ppm1      6.979 ppm2      7.234 CV     1
  ASSI {  297}
    (  segid "ocre" and resid 40   and name HE% )
    (  segid "ocre" and resid 40   and name HD% )
       2.000     0.500     0.500 peak   297 spectrum    3 weight  0.11000E+01 volume  0.16251E-01 ppm1      6.855 ppm2      7.246 CV     1
  ASSI {  298}
    (  segid "ocre" and resid 32   and name HE% )
    (  segid "ocre" and resid 32   and name HD% )
       2.000     2.000     4.000 peak   298 spectrum    3 weight  0.11000E+01 volume  0.12448E-01 ppm1      6.791 ppm2      7.285 CV     1
  ASSI {  300}
    (  segid "ocre" and resid 48   and name HE% )
    (  segid "ocre" and resid 48   and name HD% )
       2.000     0.500     0.500 peak   300 spectrum    3 weight  0.11000E+01 volume  0.13915E-01 ppm1      6.649 ppm2      7.237 CV     1
  ASSI {  308}
    (  segid "ocre" and resid 24   and name HE% )
    (  segid "ocre" and resid 17   and name HE% )
       2.500     2.500     3.500 peak   308 spectrum    3 weight  0.11000E+01 volume  0.11146E-02 ppm1      6.979 ppm2      6.508 CV     1
  ASSI {  310}
    (  segid "ocre" and resid 24   and name HE% )
    (  segid "ocre" and resid 17   and name HD% )
       3.100     3.100     2.900 peak   310 spectrum    3 weight  0.11000E+01 volume  0.15400E-02 ppm1      6.978 ppm2      6.195 CV     1
  ASSI {  313}
    (  segid "ocre" and resid 40   and name HE% )
    (  segid "ocre" and resid 33   and name HD% )
       3.400     1.500     1.500 peak   313 spectrum    3 weight  0.11000E+01 volume  0.85396E-03 ppm1      6.866 ppm2      5.961 CV     1
  ASSI {  316}
    (  segid "ocre" and resid 40   and name HE% )
    (  segid "ocre" and resid 58   and name HE% )
       3.400     1.400     1.400 peak   316 spectrum    3 weight  0.11000E+01 volume  0.95093E-03 ppm1      6.867 ppm2      5.819 CV     1
  ASSI {  317}
    (  segid "ocre" and resid 40   and name HE% )
    (( segid "ocre" and resid 50   and name HA  ))
       4.500     2.500     1.500 peak   317 spectrum    3 weight  0.11000E+01 volume  0.45360E-03 ppm1      6.866 ppm2      5.733 CV     1
  ASSI {  322}
    (  segid "ocre" and resid 48   and name HE% )
    (  segid "ocre" and resid 41   and name HD% )
       3.000     3.000     3.000 peak   322 spectrum    3 weight  0.11000E+01 volume  0.12696E-02 ppm1      6.648 ppm2      5.839 CV     1
  ASSI {  332}
    (  segid "ocre" and resid 50   and name HE% )
    (( segid "ocre" and resid 52   and name HA  ))
       3.000     1.100     1.100 peak   332 spectrum    3 weight  0.11000E+01 volume  0.21767E-02 ppm1      6.767 ppm2      4.573 CV     1
  ASSI {  341}
    (  segid "ocre" and resid 48   and name HE% )
    (( segid "sm_n" and resid 104  and name HD1 ))
       5.300     5.300     0.700 peak   341 spectrum    3 weight  0.11000E+01 volume  0.51808E-03 ppm1      6.647 ppm2      3.674 CV     1
  ASSI {  342}
    (  segid "ocre" and resid 48   and name HE% )
    (( segid "ocre" and resid 39   and name HB1 ))
       3.700     3.700     2.300 peak   342 spectrum    3 weight  0.11000E+01 volume  0.79847E-03 ppm1      6.651 ppm2      3.554 CV     1
  ASSI {  343}
    (  segid "ocre" and resid 24   and name HE% )
    (( segid "ocre" and resid 24   and name HB1 ))
       4.600     2.700     1.400 peak   343 spectrum    3 weight  0.11000E+01 volume  0.30563E-03 ppm1      6.982 ppm2      3.349 CV     1
  ASSI {  344}
    (  segid "ocre" and resid 24   and name HE% )
    (( segid "ocre" and resid 24   and name HB2 ))
       4.300     2.300     1.700 peak   344 spectrum    3 weight  0.11000E+01 volume  0.58656E-03 ppm1      6.977 ppm2      3.158 CV     1
  ASSI {  346}
    (  segid "ocre" and resid 40   and name HE% )
    (( segid "ocre" and resid 51   and name HB1 ))
       3.200     1.300     1.300 peak   346 spectrum    3 weight  0.11000E+01 volume  0.10106E-02 ppm1      6.868 ppm2      3.211 CV     1
  ASSI {  347}
    (  segid "ocre" and resid 40   and name HE% )
    (( segid "ocre" and resid 51   and name HB2 ))
       3.100     1.200     1.200 peak   347 spectrum    3 weight  0.11000E+01 volume  0.15132E-02 ppm1      6.868 ppm2      2.852 CV     1
  ASSI {  351}
    (  segid "ocre" and resid 24   and name HE% )
    (( segid "ocre" and resid 35   and name HB1 ))
       3.900     1.900     1.900 peak   351 spectrum    3 weight  0.11000E+01 volume  0.10601E-02 ppm1      6.978 ppm2      2.285 CV     1
  ASSI {  356}
    (  segid "ocre" and resid 48   and name HE% )
    (( segid "ocre" and resid 41   and name HB1 ))
       3.400     1.400     1.400 peak   356 spectrum    3 weight  0.11000E+01 volume  0.12691E-02 ppm1      6.648 ppm2      2.662 CV     1
  ASSI {  357}
    (  segid "ocre" and resid 48   and name HE% )
    (( segid "ocre" and resid 41   and name HB2 ))
       3.500     1.500     1.500 peak   357 spectrum    3 weight  0.11000E+01 volume  0.77699E-03 ppm1      6.648 ppm2      2.483 CV     1
  ASSI {  358}
    (  segid "ocre" and resid 24   and name HE% )
    (( segid "ocre" and resid 35   and name HG1 ))
       3.000     1.100     1.100 peak   358 spectrum    3 weight  0.11000E+01 volume  0.23567E-02 ppm1      6.979 ppm2      2.115 CV     1
  ASSI {  360}
    (  segid "ocre" and resid 48   and name HE% )
    (( segid "sm_n" and resid 104  and name HG1 ))
       4.200     4.200     1.800 peak   360 spectrum    3 weight  0.11000E+01 volume  0.11596E-02 ppm1      6.645 ppm2      1.902 CV     1
  ASSI {  361}
    (  segid "ocre" and resid 48   and name HE% )
    (( segid "sm_n" and resid 102  and name HB2 ))
       5.000     5.000     1.000 peak   361 spectrum    3 weight  0.11000E+01 volume  0.33839E-03 ppm1      6.650 ppm2      1.672 CV     1
  ASSI {  369}
    (  segid "ocre" and resid 40   and name HE% )
    (  segid "ocre" and resid 31   and name HD2%)
       3.900     1.900     1.900 peak   369 spectrum    3 weight  0.11000E+01 volume  0.43859E-03 ppm1      6.862 ppm2     -0.066 CV     1
  ASSI {  387}
    (  segid "ocre" and resid 23   and name HE% )
    (( segid "sm_n" and resid 105  and name HA  ))
       3.900     3.900     2.100 peak   387 spectrum    3 weight  0.11000E+01 volume  0.74174E-03 ppm1      6.571 ppm2      4.599 CV     1
  ASSI {  393}
    (  segid "ocre" and resid 23   and name HE% )
    (( segid "sm_n" and resid 105  and name HD2 ))
       4.100     4.100     1.900 peak   393 spectrum    3 weight  0.11000E+01 volume  0.52983E-03 ppm1      6.567 ppm2      3.521 CV     1
  ASSI {  399}
    (  segid "ocre" and resid 23   and name HE% )
    (( segid "ocre" and resid 23   and name HB2 ))
       3.900     3.900     2.100 peak   399 spectrum    3 weight  0.11000E+01 volume  0.99467E-03 ppm1      6.563 ppm2      3.093 CV     1
  ASSI {  410}
    (  segid "ocre" and resid 39   and name HE% )
    (( segid "sm_n" and resid 109  and name HG1 ))
       3.900     3.900     2.100 peak   410 spectrum    3 weight  0.11000E+01 volume  0.45259E-03 ppm1      6.745 ppm2      1.609 CV     1
  ASSI {  415}
    (  segid "ocre" and resid 23   and name HE% )
    (( segid "sm_n" and resid 104  and name HG1 ))
       5.000     5.000     1.000 peak   415 spectrum    3 weight  0.11000E+01 volume  0.81646E-03 ppm1      6.566 ppm2      1.891 CV     1
  ASSI {  417}
    (  segid "ocre" and resid 23   and name HE% )
    (( segid "sm_n" and resid 104  and name HB2 ))
       5.500     5.500     0.500 peak   417 spectrum    3 weight  0.11000E+01 volume  0.35363E-03 ppm1      6.569 ppm2      1.780 CV     1
  ASSI {  427}
    (  segid "ocre" and resid 50   and name HE% )
    (  segid "ocre" and resid 59   and name HG2%)
       2.900     1.100     1.100 peak   427 spectrum    3 weight  0.11000E+01 volume  0.24514E-02 ppm1      6.768 ppm2      0.594 CV     1
  ASSI {  430}
    (  segid "ocre" and resid 23   and name HE% )
    (( segid "sm_n" and resid 108  and name HG21))
       4.800     4.800     1.200 peak   430 spectrum    3 weight  0.11000E+01 volume  0.40486E-03 ppm1      6.572 ppm2      0.849 CV     1
  ASSI {  470}
    (  segid "ocre" and resid 58   and name HD% )
    (  segid "ocre" and resid 40   and name HE% )
       4.600     4.600     1.400 peak   470 spectrum    3 weight  0.11000E+01 volume  0.21368E-03 ppm1      6.449 ppm2      6.870 CV     1
  ASSI {  481}
    (  segid "ocre" and resid 17   and name HD% )
    (  segid "ocre" and resid 17   and name HE% )
       2.200     0.600     0.600 peak   481 spectrum    3 weight  0.11000E+01 volume  0.11220E-01 ppm1      6.197 ppm2      6.504 CV     1
  ASSI {  484}
    (  segid "ocre" and resid 58   and name HD% )
    (  segid "ocre" and resid 58   and name HE% )
       2.500     0.800     0.800 peak   484 spectrum    3 weight  0.11000E+01 volume  0.44433E-02 ppm1      6.446 ppm2      5.819 CV     1
  ASSI {  490}
    (  segid "ocre" and resid 17   and name HD% )
    (( segid "ocre" and resid 24   and name HA  ))
       3.500     1.500     1.500 peak   490 spectrum    3 weight  0.11000E+01 volume  0.91018E-03 ppm1      6.197 ppm2      5.257 CV     1
  ASSI {  497}
    (  segid "ocre" and resid 17   and name HD% )
    (( segid "ocre" and resid 17   and name HA  ))
       2.700     0.900     0.900 peak   497 spectrum    3 weight  0.11000E+01 volume  0.34339E-02 ppm1      6.196 ppm2      3.955 CV     1
  ASSI {  498}
    (  segid "ocre" and resid 58   and name HD% )
    (( segid "ocre" and resid 51   and name HB2 ))
       3.400     1.500     1.500 peak   498 spectrum    3 weight  0.11000E+01 volume  0.62603E-03 ppm1      6.444 ppm2      2.850 CV     1
  ASSI {  504}
    (  segid "ocre" and resid 17   and name HD% )
    (( segid "ocre" and resid 17   and name HB2 ))
       2.700     0.900     0.900 peak   504 spectrum    3 weight  0.11000E+01 volume  0.38373E-02 ppm1      6.196 ppm2      2.746 CV     1
  ASSI {  506}
    (  segid "ocre" and resid 58   and name HD% )
    (( segid "ocre" and resid 49   and name HB1 ))
       3.600     1.700     1.700 peak   506 spectrum    3 weight  0.11000E+01 volume  0.65077E-03 ppm1      6.448 ppm2      1.590 CV     1
  ASSI {  511}
    (  segid "ocre" and resid 58   and name HD% )
    (  segid "ocre" and resid 49   and name HD1%)
       3.900     1.900     1.900 peak   511 spectrum    3 weight  0.11000E+01 volume  0.66752E-03 ppm1      6.447 ppm2      0.635 CV     1
  ASSI {  514}
    (  segid "ocre" and resid 58   and name HD% )
    (  segid "ocre" and resid 31   and name HD2%)
       3.600     1.600     1.600 peak   514 spectrum    3 weight  0.11000E+01 volume  0.63053E-03 ppm1      6.445 ppm2     -0.063 CV     1
  ASSI {  548}
    (( segid "ocre" and resid 51   and name HZ3 ))
    (( segid "ocre" and resid 51   and name HE3 ))
       3.300     1.400     1.400 peak   548 spectrum    3 weight  0.11000E+01 volume  0.79249E-03 ppm1      6.140 ppm2      5.383 CV     1
  ASSI {  553}
    (  segid "ocre" and resid 15   and name HE% )
    (  segid "ocre" and resid 24   and name HD% )
       4.400     4.400     1.600 peak   553 spectrum    3 weight  0.11000E+01 volume  0.39586E-03 ppm1      6.236 ppm2      7.240 CV     1
  ASSI {  554}
    (  segid "ocre" and resid 15   and name HE% )
    (  segid "ocre" and resid 15   and name HD% )
       2.200     0.600     0.600 peak   554 spectrum    3 weight  0.11000E+01 volume  0.82928E-02 ppm1      6.239 ppm2      6.816 CV     1
  ASSI {  571}
    (  segid "ocre" and resid 15   and name HE% )
    (( segid "ocre" and resid 33   and name HB1 ))
       3.200     1.300     1.300 peak   571 spectrum    3 weight  0.11000E+01 volume  0.99366E-03 ppm1      6.237 ppm2      2.671 CV     1
  ASSI {  572}
    (  segid "ocre" and resid 15   and name HE% )
    (( segid "ocre" and resid 26   and name HB1 ))
       3.300     1.400     1.400 peak   572 spectrum    3 weight  0.11000E+01 volume  0.12848E-02 ppm1      6.237 ppm2      2.492 CV     1
  ASSI {  573}
    (  segid "ocre" and resid 15   and name HE% )
    (( segid "ocre" and resid 10   and name HB1 ))
       4.100     2.100     1.900 peak   573 spectrum    3 weight  0.11000E+01 volume  0.27690E-03 ppm1      6.238 ppm2      1.800 CV     1
  ASSI {  576}
    (  segid "ocre" and resid 15   and name HE% )
    (( segid "ocre" and resid 26   and name HB2 ))
       3.300     1.300     1.300 peak   576 spectrum    3 weight  0.11000E+01 volume  0.10319E-02 ppm1      6.238 ppm2      1.101 CV     1
  ASSI {  580}
    (  segid "ocre" and resid 33   and name HE% )
    (  segid "ocre" and resid 40   and name HE% )
       3.200     3.200     2.800 peak   580 spectrum    3 weight  0.11000E+01 volume  0.10979E-02 ppm1      6.357 ppm2      6.868 CV     1
  ASSI {  581}
    (  segid "ocre" and resid 25   and name HE% )
    (  segid "ocre" and resid 15   and name HD% )
       4.100     4.100     1.900 peak   581 spectrum    3 weight  0.11000E+01 volume  0.61354E-03 ppm1      6.356 ppm2      6.803 CV     1
  ASSI {  584}
    (  segid "ocre" and resid 41   and name HE% )
    (  segid "ocre" and resid 48   and name HE% )
       3.300     3.300     2.700 peak   584 spectrum    3 weight  0.11000E+01 volume  0.10137E-02 ppm1      6.141 ppm2      6.650 CV     1
  ASSI {  588}
    (  segid "ocre" and resid 25   and name HE% )
    (  segid "ocre" and resid 25   and name HD% )
       2.100     0.600     0.600 peak   588 spectrum    3 weight  0.11000E+01 volume  0.11882E-01 ppm1      6.379 ppm2      6.063 CV     1
  ASSI {  590}
    (  segid "ocre" and resid 33   and name HE% )
    (  segid "ocre" and resid 33   and name HD% )
       2.300     0.700     0.700 peak   590 spectrum    3 weight  0.11000E+01 volume  0.71878E-02 ppm1      6.360 ppm2      5.963 CV     1
  ASSI {  601}
    (  segid "ocre" and resid 33   and name HE% )
    (( segid "ocre" and resid 33   and name HA  ))
       4.400     2.400     1.600 peak   601 spectrum    3 weight  0.11000E+01 volume  0.49509E-03 ppm1      6.361 ppm2      4.874 CV     1
  ASSI {  605}
    (  segid "ocre" and resid 25   and name HE% )
    (( segid "ocre" and resid 25   and name HA  ))
       4.100     2.100     1.900 peak   605 spectrum    3 weight  0.11000E+01 volume  0.51358E-03 ppm1      6.382 ppm2      4.644 CV     1
  ASSI {  610}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "ocre" and resid 47   and name HA  ))
       3.800     1.800     1.800 peak   610 spectrum    3 weight  0.11000E+01 volume  0.63654E-03 ppm1      6.143 ppm2      4.624 CV     1
  ASSI {  611}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "sm_n" and resid 106  and name HA  ))
       4.600     4.600     1.400 peak   611 spectrum    3 weight  0.11000E+01 volume  0.18719E-03 ppm1      6.143 ppm2      4.331 CV     1
  ASSI {  616}
    (  segid "ocre" and resid 25   and name HE% )
    (( segid "ocre" and resid 30   and name HA2 ))
       2.800     1.000     1.000 peak   616 spectrum    3 weight  0.11000E+01 volume  0.25569E-02 ppm1      6.380 ppm2      3.543 CV     1
  ASSI {  623}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "sm_n" and resid 104  and name HD1 ))
       4.200     4.200     1.800 peak   623 spectrum    3 weight  0.11000E+01 volume  0.39687E-03 ppm1      6.143 ppm2      3.668 CV     1
  ASSI {  627}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "sm_n" and resid 102  and name HD1 ))
       4.200     2.200     1.800 peak   627 spectrum    3 weight  0.11000E+01 volume  0.61056E-03 ppm1      6.139 ppm2      3.093 CV     1
  ASSI {  629}
    (  segid "ocre" and resid 17   and name HE% )
    (( segid "ocre" and resid 17   and name HB2 ))
       4.300     2.300     1.700 peak   629 spectrum    3 weight  0.11000E+01 volume  0.60928E-03 ppm1      6.509 ppm2      2.749 CV     1
  ASSI {  630}
    (  segid "ocre" and resid 17   and name HE% )
    (( segid "ocre" and resid 19   and name HG1 ))
       2.800     1.000     1.000 peak   630 spectrum    3 weight  0.11000E+01 volume  0.27865E-02 ppm1      6.504 ppm2      2.321 CV     1
  ASSI {  634}
    (  segid "ocre" and resid 33   and name HE% )
    (( segid "ocre" and resid 33   and name HB1 ))
       4.000     2.000     2.000 peak   634 spectrum    3 weight  0.11000E+01 volume  0.90045E-03 ppm1      6.379 ppm2      2.698 CV     1
  ASSI {  636}
    (  segid "ocre" and resid 33   and name HE% )
    (( segid "ocre" and resid 35   and name HB1 ))
       3.000     1.100     1.100 peak   636 spectrum    3 weight  0.11000E+01 volume  0.23042E-02 ppm1      6.360 ppm2      2.281 CV     1
  ASSI {  639}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "ocre" and resid 41   and name HB1 ))
       4.300     2.300     1.700 peak   639 spectrum    3 weight  0.11000E+01 volume  0.46108E-03 ppm1      6.138 ppm2      2.658 CV     1
  ASSI {  640}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "ocre" and resid 41   and name HB2 ))
       4.000     2.000     2.000 peak   640 spectrum    3 weight  0.11000E+01 volume  0.54356E-03 ppm1      6.140 ppm2      2.479 CV     1
  ASSI {  641}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "ocre" and resid 46   and name HB1 ))
       4.900     2.900     1.100 peak   641 spectrum    3 weight  0.11000E+01 volume  0.42835E-03 ppm1      6.142 ppm2      2.351 CV     1
  ASSI {  643}
    (  segid "ocre" and resid 17   and name HE% )
    (( segid "ocre" and resid 19   and name HB1 ))
       3.200     1.300     1.300 peak   643 spectrum    3 weight  0.11000E+01 volume  0.31040E-02 ppm1      6.510 ppm2      2.002 CV     1
  ASSI {  645}
    (  segid "ocre" and resid 25   and name HE% )
    (( segid "sm_n" and resid 102  and name HG1 ))
       4.900     2.900     1.100 peak   645 spectrum    3 weight  0.11000E+01 volume  0.16344E-03 ppm1      6.377 ppm2      1.611 CV     1
  ASSI {  646}
    (  segid "ocre" and resid 33   and name HE% )
    (( segid "ocre" and resid 35   and name HB2 ))
       3.500     1.500     1.500 peak   646 spectrum    3 weight  0.11000E+01 volume  0.27913E-02 ppm1      6.370 ppm2      2.065 CV     1
  ASSI {  647}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "ocre" and resid 46   and name HG2 ))
       4.300     2.300     1.700 peak   647 spectrum    3 weight  0.11000E+01 volume  0.51982E-03 ppm1      6.141 ppm2      2.084 CV     1
  ASSI {  648}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "sm_n" and resid 103  and name HB2 ))
       3.300     1.400     1.400 peak   648 spectrum    3 weight  0.11000E+01 volume  0.61878E-03 ppm1      6.141 ppm2      1.827 CV     1
  ASSI {  651}
    (  segid "ocre" and resid 33   and name HE% )
    (  segid "ocre" and resid 12   and name HG2%)
       3.000     1.200     1.200 peak   651 spectrum    3 weight  0.11000E+01 volume  0.15220E-02 ppm1      6.360 ppm2      0.595 CV     1
  ASSI {  652}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "sm_n" and resid 108  and name HD11))
       4.100     2.100     1.900 peak   652 spectrum    3 weight  0.11000E+01 volume  0.32789E-03 ppm1      6.139 ppm2      0.772 CV     1
  ASSI {  714}
    (  segid "ocre" and resid 25   and name HD% )
    (  segid "ocre" and resid 32   and name HD% )
       3.300     1.300     1.300 peak   714 spectrum    3 weight  0.11000E+01 volume  0.75124E-03 ppm1      6.058 ppm2      7.288 CV     1
  ASSI {  718}
    (  segid "ocre" and resid 25   and name HD% )
    (  segid "ocre" and resid 32   and name HE% )
       3.400     1.400     1.400 peak   718 spectrum    3 weight  0.11000E+01 volume  0.10186E-02 ppm1      6.060 ppm2      6.788 CV     1
  ASSI {  742}
    (  segid "ocre" and resid 25   and name HD% )
    (( segid "ocre" and resid 25   and name HA  ))
       2.900     1.000     1.000 peak   742 spectrum    3 weight  0.11000E+01 volume  0.23572E-02 ppm1      6.061 ppm2      4.646 CV     1
  ASSI {  745}
    (  segid "ocre" and resid 41   and name HD% )
    (( segid "ocre" and resid 47   and name HA  ))
       4.300     2.300     1.700 peak   745 spectrum    3 weight  0.11000E+01 volume  0.25116E-03 ppm1      5.837 ppm2      4.630 CV     1
  ASSI {  747}
    (  segid "ocre" and resid 41   and name HD% )
    (( segid "ocre" and resid 43   and name HB1 ))
       4.300     2.300     1.700 peak   747 spectrum    3 weight  0.11000E+01 volume  0.41986E-03 ppm1      5.838 ppm2      4.072 CV     1
  ASSI {  751}
    (  segid "ocre" and resid 25   and name HD% )
    (( segid "ocre" and resid 30   and name HA2 ))
       4.200     2.200     1.800 peak   751 spectrum    3 weight  0.11000E+01 volume  0.29791E-03 ppm1      6.061 ppm2      3.541 CV     1
  ASSI {  754}
    (  segid "ocre" and resid 41   and name HD% )
    (( segid "ocre" and resid 43   and name HA  ))
       3.500     1.500     1.500 peak   754 spectrum    3 weight  0.11000E+01 volume  0.13490E-02 ppm1      5.837 ppm2      3.816 CV     1
  ASSI {  755}
    (  segid "ocre" and resid 41   and name HD% )
    (( segid "sm_n" and resid 103  and name HD2 ))
       4.400     2.400     1.600 peak   755 spectrum    3 weight  0.11000E+01 volume  0.28290E-03 ppm1      5.840 ppm2      3.548 CV     1
  ASSI {  757}
    (  segid "ocre" and resid 41   and name HD% )
    (( segid "sm_n" and resid 106  and name HD2 ))
       4.800     2.900     1.200 peak   757 spectrum    3 weight  0.11000E+01 volume  0.35488E-03 ppm1      5.834 ppm2      3.466 CV     1
  ASSI {  759}
    (  segid "ocre" and resid 33   and name HD% )
    (( segid "ocre" and resid 24   and name HB1 ))
       3.900     1.900     1.900 peak   759 spectrum    3 weight  0.11000E+01 volume  0.71750E-03 ppm1      5.961 ppm2      3.347 CV     1
  ASSI {  763}
    (  segid "ocre" and resid 25   and name HD% )
    (( segid "ocre" and resid 25   and name HB1 ))
       2.500     0.800     0.800 peak   763 spectrum    3 weight  0.11000E+01 volume  0.52184E-02 ppm1      6.061 ppm2      2.702 CV     1
  ASSI {  769}
    (  segid "ocre" and resid 41   and name HD% )
    (( segid "ocre" and resid 41   and name HB2 ))
       2.800     1.000     1.000 peak   769 spectrum    3 weight  0.11000E+01 volume  0.25149E-02 ppm1      5.838 ppm2      2.474 CV     1
  ASSI {  775}
    (  segid "ocre" and resid 41   and name HD% )
    (( segid "sm_n" and resid 103  and name HG1 ))
       4.300     4.300     1.700 peak   775 spectrum    3 weight  0.11000E+01 volume  0.32614E-03 ppm1      5.836 ppm2      1.994 CV     1
  ASSI {  776}
    (  segid "ocre" and resid 41   and name HD% )
    (( segid "sm_n" and resid 104  and name HG1 ))
       4.000     4.000     2.000 peak   776 spectrum    3 weight  0.11000E+01 volume  0.77423E-03 ppm1      5.837 ppm2      1.912 CV     1
  ASSI {  777}
    (  segid "ocre" and resid 41   and name HD% )
    (( segid "sm_n" and resid 103  and name HB2 ))
       4.500     2.500     1.500 peak   777 spectrum    3 weight  0.11000E+01 volume  0.27716E-03 ppm1      5.832 ppm2      1.840 CV     1
  ASSI {  807}
    (  segid "ocre" and resid 58   and name HE% )
    (  segid "ocre" and resid 40   and name HD% )
       3.300     1.300     1.300 peak   807 spectrum    3 weight  0.11000E+01 volume  0.10127E-02 ppm1      5.821 ppm2      7.234 CV     1
  ASSI {  844}
    (  segid "ocre" and resid 58   and name HE% )
    (( segid "ocre" and resid 10   and name HG1 ))
       3.700     1.800     1.800 peak   844 spectrum    3 weight  0.11000E+01 volume  0.34739E-03 ppm1      5.810 ppm2      1.151 CV     1
  ASSI { 1049}
    (  segid "ocre" and resid 58   and name HD% )
    (( segid "ocre" and resid 58   and name HA  ))
       3.000     1.100     1.100 peak  1049 spectrum    3 weight  0.11000E+01 volume  0.14278E-02 ppm1      6.445 ppm2      4.904 CV     1
  ASSI { 1051}
    (  segid "ocre" and resid 48   and name HD% )
    (( segid "ocre" and resid 48   and name HA  ))
       2.800     1.000     1.000 peak  1051 spectrum    3 weight  0.11000E+01 volume  0.17829E-02 ppm1      7.236 ppm2      5.580 CV     1
  ASSI { 1055}
    (  segid "ocre" and resid 48   and name HE% )
    (( segid "sm_n" and resid 105  and name HA  ))
       3.900     3.900     2.100 peak  1055 spectrum    3 weight  0.11000E+01 volume  0.43711E-03 ppm1      6.648 ppm2      4.598 CV     1
  ASSI { 1056}
    (  segid "ocre" and resid 48   and name HE% )
    (( segid "ocre" and resid 48   and name HB1 ))
       4.000     2.000     2.000 peak  1056 spectrum    3 weight  0.11000E+01 volume  0.71700E-03 ppm1      6.650 ppm2      2.786 CV     1
  ASSI { 1057}
    (  segid "ocre" and resid 48   and name HE% )
    (( segid "sm_n" and resid 106  and name HB1 ))
       3.800     1.800     1.800 peak  1057 spectrum    3 weight  0.11000E+01 volume  0.58931E-03 ppm1      6.650 ppm2      2.191 CV     1
  ASSI { 1058}
    (  segid "ocre" and resid 41   and name HE% )
    (  segid "ocre" and resid 41   and name HD% )
       2.100     0.500     0.500 peak  1058 spectrum    3 weight  0.11000E+01 volume  0.97804E-02 ppm1      6.141 ppm2      5.841 CV     1
  ASSI { 1061}
    (  segid "ocre" and resid 15   and name HD% )
    (  segid "ocre" and resid 33   and name HD% )
       4.100     2.100     1.900 peak  1061 spectrum    3 weight  0.11000E+01 volume  0.34887E-03 ppm1      6.812 ppm2      5.962 CV     1
  ASSI { 1063}
    (  segid "ocre" and resid 15   and name HD% )
    (( segid "ocre" and resid 27   and name HD1 ))
       4.900     3.000     1.100 peak  1063 spectrum    3 weight  0.11000E+01 volume  0.26241E-03 ppm1      6.821 ppm2      4.032 CV     1
  ASSI { 1067}
    (  segid "ocre" and resid 15   and name HD% )
    (  segid "ocre" and resid 12   and name HG2%)
       4.900     3.000     1.100 peak  1067 spectrum    3 weight  0.11000E+01 volume  0.27690E-03 ppm1      6.817 ppm2      0.598 CV     1
  ASSI { 1072}
    (  segid "ocre" and resid 23   and name HE% )
    (( segid "sm_n" and resid 108  and name HD11))
       4.700     4.700     1.300 peak  1072 spectrum    3 weight  0.11000E+01 volume  0.34789E-03 ppm1      6.578 ppm2      0.770 CV     1
  ASSI { 1073}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "sm_n" and resid 102  and name HG1 ))
       4.500     2.500     1.500 peak  1073 spectrum    3 weight  0.11000E+01 volume  0.35112E-03 ppm1      6.139 ppm2      1.611 CV     1
  ASSI { 1074}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "sm_n" and resid 108  and name HG21))
       4.000     4.000     2.000 peak  1074 spectrum    3 weight  0.11000E+01 volume  0.59955E-03 ppm1      6.141 ppm2      0.848 CV     1
  ASSI { 1075}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "sm_n" and resid 104  and name HG1 ))
       3.900     1.900     1.900 peak  1075 spectrum    3 weight  0.11000E+01 volume  0.70975E-03 ppm1      6.139 ppm2      1.904 CV     1
  ASSI { 1079}
    (  segid "ocre" and resid 17   and name HD% )
    (  segid "ocre" and resid 24   and name HD% )
       3.900     3.900     2.100 peak  1079 spectrum    3 weight  0.11000E+01 volume  0.39012E-03 ppm1      6.188 ppm2      7.234 CV     1
  ASSI { 1082}
    (  segid "ocre" and resid 17   and name HD% )
    (( segid "ocre" and resid 19   and name HB1 ))
       4.200     2.200     1.800 peak  1082 spectrum    3 weight  0.11000E+01 volume  0.58505E-03 ppm1      6.195 ppm2      2.002 CV     1
  ASSI { 1084}
    (  segid "ocre" and resid 23   and name HE% )
    (( segid "sm_n" and resid 105  and name HG1 ))
       3.900     3.900     2.100 peak  1084 spectrum    3 weight  0.11000E+01 volume  0.17556E-02 ppm1      6.564 ppm2      1.941 CV     1
  ASSI { 1094}
    (  segid "ocre" and resid 40   and name HD% )
    (  segid "ocre" and resid 31   and name HD2%)
       3.300     1.400     1.400 peak  1094 spectrum    3 weight  0.11000E+01 volume  0.85919E-03 ppm1      7.242 ppm2     -0.075 CV     1
  ASSI { 1098}
    (  segid "ocre" and resid 25   and name HE% )
    (( segid "ocre" and resid 30   and name HA1 ))
       3.400     1.400     1.400 peak  1098 spectrum    3 weight  0.11000E+01 volume  0.18841E-02 ppm1      6.368 ppm2      4.027 CV     1
  ASSI { 1099}
    (  segid "ocre" and resid 25   and name HD% )
    (( segid "ocre" and resid 30   and name HA1 ))
       4.000     2.000     2.000 peak  1099 spectrum    3 weight  0.11000E+01 volume  0.78773E-03 ppm1      6.058 ppm2      4.000 CV     1
  ASSI { 1100}
    (  segid "ocre" and resid 23   and name HD% )
    (( segid "ocre" and resid 21   and name HB2 ))
       3.100     1.200     1.200 peak  1100 spectrum    3 weight  0.11000E+01 volume  0.81498E-03 ppm1      6.923 ppm2      3.485 CV     1
  ASSI { 1101}
    (  segid "ocre" and resid 39   and name HE% )
    (( segid "ocre" and resid 37   and name HB2 ))
       3.600     3.600     2.400 peak  1101 spectrum    3 weight  0.11000E+01 volume  0.85120E-03 ppm1      6.730 ppm2      3.667 CV     1
  ASSI { 1103}
    (  segid "ocre" and resid 39   and name HD% )
    (( segid "ocre" and resid 37   and name HB2 ))
       3.700     3.700     2.300 peak  1103 spectrum    3 weight  0.11000E+01 volume  0.69626E-03 ppm1      7.192 ppm2      3.666 CV     1
  ASSI { 1108}
    (( segid "ocre" and resid 51   and name HZ2 ))
    (( segid "ocre" and resid 9    and name HA  ))
       3.400     1.400     1.400 peak  1108 spectrum    3 weight  0.11000E+01 volume  0.94768E-03 ppm1      7.120 ppm2      3.811 CV     1
  ASSI { 1129}
    (  segid "ocre" and resid 58   and name HD% )
    (( segid "ocre" and resid 49   and name HB2 ))
       3.900     1.900     1.900 peak  1129 spectrum    3 weight  0.11000E+01 volume  0.61354E-03 ppm1      6.445 ppm2      1.474 CV     1
  ASSI { 1134}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "ocre" and resid 46   and name HA  ))
       2.900     1.100     1.100 peak  1134 spectrum    3 weight  0.11000E+01 volume  0.37426E-02 ppm1      6.134 ppm2      3.553 CV     1
  ASSI { 1135}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "ocre" and resid 46   and name HB2 ))
       4.100     2.100     1.900 peak  1135 spectrum    3 weight  0.11000E+01 volume  0.11198E-02 ppm1      6.138 ppm2      2.191 CV     1
  ASSI { 1136}
    (( segid "ocre" and resid 51   and name HZ2 ))
    (( segid "ocre" and resid 56   and name HB1 ))
       3.500     1.500     1.500 peak  1136 spectrum    3 weight  0.11000E+01 volume  0.12579E-02 ppm1      7.120 ppm2      2.078 CV     1
  ASSI { 1137}
    (( segid "ocre" and resid 51   and name HH2 ))
    (( segid "ocre" and resid 56   and name HG1 ))
       4.300     2.300     1.700 peak  1137 spectrum    3 weight  0.11000E+01 volume  0.45830E-03 ppm1      6.688 ppm2      2.000 CV     1
  ASSI { 1139}
    (  segid "ocre" and resid 58   and name HE% )
    (( segid "ocre" and resid 51   and name HB2 ))
       3.100     1.200     1.200 peak  1139 spectrum    3 weight  0.11000E+01 volume  0.99843E-03 ppm1      5.813 ppm2      2.837 CV     1
  ASSI { 1140}
    (  segid "ocre" and resid 58   and name HE% )
    (( segid "ocre" and resid 51   and name HB1 ))
       3.100     1.200     1.200 peak  1140 spectrum    3 weight  0.11000E+01 volume  0.30812E-03 ppm1      5.819 ppm2      3.216 CV     1
  ASSI { 1142}
    (  segid "ocre" and resid 58   and name HD% )
    (  segid "ocre" and resid 40   and name HD% )
       3.600     1.600     1.600 peak  1142 spectrum    3 weight  0.11000E+01 volume  0.69010E-03 ppm1      6.441 ppm2      7.226 CV     1
  ASSI { 1145}
    (  segid "ocre" and resid 58   and name HE% )
    (( segid "ocre" and resid 51   and name HA  ))
       4.700     2.800     1.300 peak  1145 spectrum    3 weight  0.11000E+01 volume  0.21849E-03 ppm1      5.820 ppm2      4.368 CV     1
  ASSI { 1160}
    (  segid "ocre" and resid 40   and name HD% )
    (( segid "ocre" and resid 33   and name HB1 ))
       3.900     1.900     1.900 peak  1160 spectrum    3 weight  0.11000E+01 volume  0.15200E-02 ppm1      7.250 ppm2      2.665 CV     1
  ASSI { 1162}
    (  segid "ocre" and resid 33   and name HD% )
    (  segid "ocre" and resid 40   and name HD% )
       3.300     3.300     2.700 peak  1162 spectrum    3 weight  0.11000E+01 volume  0.10287E-02 ppm1      5.951 ppm2      7.233 CV     1
  ASSI { 1168}
    (  segid "ocre" and resid 15   and name HD% )
    (  segid "ocre" and resid 33   and name HE% )
       4.300     4.300     1.700 peak  1168 spectrum    3 weight  0.11000E+01 volume  0.36615E-03 ppm1      6.810 ppm2      6.334 CV     1
  ASSI { 1171}
    (  segid "ocre" and resid 25   and name HE% )
    (  segid "ocre" and resid 32   and name HD% )
       3.800     3.800     2.200 peak  1171 spectrum    3 weight  0.11000E+01 volume  0.41809E-03 ppm1      6.388 ppm2      7.252 CV     1
  ASSI { 1176}
    (  segid "ocre" and resid 24   and name HD% )
    (( segid "ocre" and resid 17   and name HA  ))
       3.800     1.800     1.800 peak  1176 spectrum    3 weight  0.11000E+01 volume  0.38734E-03 ppm1      7.229 ppm2      3.952 CV     1
  ASSI { 1178}
    (  segid "ocre" and resid 24   and name HD% )
    (  segid "ocre" and resid 12   and name HG2%)
       3.700     1.700     1.700 peak  1178 spectrum    3 weight  0.11000E+01 volume  0.57851E-03 ppm1      7.229 ppm2      0.592 CV     1
  ASSI { 1181}
    (  segid "ocre" and resid 24   and name HD% )
    (( segid "ocre" and resid 15   and name HB1 ))
       2.800     1.000     1.000 peak  1181 spectrum    3 weight  0.11000E+01 volume  0.33810E-02 ppm1      7.229 ppm2      3.209 CV     1
  ASSI { 1182}
    (  segid "ocre" and resid 15   and name HD% )
    (  segid "ocre" and resid 24   and name HD% )
       4.800     2.900     1.200 peak  1182 spectrum    3 weight  0.11000E+01 volume  0.27932E-03 ppm1      6.824 ppm2      7.233 CV     1
  ASSI { 1184}
    (  segid "ocre" and resid 15   and name HE% )
    (( segid "ocre" and resid 33   and name HB2 ))
       3.300     1.400     1.400 peak  1184 spectrum    3 weight  0.11000E+01 volume  0.96087E-03 ppm1      6.234 ppm2      2.462 CV     1
  ASSI { 1185}
    (  segid "ocre" and resid 15   and name HD% )
    (( segid "ocre" and resid 33   and name HB1 ))
       4.000     2.000     2.000 peak  1185 spectrum    3 weight  0.11000E+01 volume  0.25116E-03 ppm1      6.824 ppm2      2.662 CV     1
  ASSI { 1186}
    (( segid "ocre" and resid 51   and name HZ3 ))
    (( segid "ocre" and resid 7    and name HB1 ))
       4.400     2.500     1.600 peak  1186 spectrum    3 weight  0.11000E+01 volume  0.19853E-03 ppm1      6.138 ppm2      3.229 CV     1
  ASSI { 1188}
    (( segid "ocre" and resid 51   and name HH2 ))
    (( segid "ocre" and resid 7    and name HB1 ))
       4.200     2.200     1.800 peak  1188 spectrum    3 weight  0.11000E+01 volume  0.29794E-03 ppm1      6.700 ppm2      3.229 CV     1
  ASSI { 1190}
    (  segid "ocre" and resid 32   and name HE% )
    (  segid "ocre" and resid 41   and name HD% )
       3.900     3.900     2.100 peak  1190 spectrum    3 weight  0.11000E+01 volume  0.59242E-03 ppm1      6.801 ppm2      5.828 CV     1
  ASSI { 1205}
    (( segid "ocre" and resid 51   and name HZ2 ))
    (  segid "ocre" and resid 8    and name HB% )
       4.400     2.500     1.600 peak  1205 spectrum    3 weight  0.11000E+01 volume  0.25421E-03 ppm1      7.118 ppm2      1.302 CV     1
  ASSI { 1212}
    (  segid "ocre" and resid 58   and name HD% )
    (( segid "ocre" and resid 51   and name HB1 ))
       3.400     1.400     1.400 peak  1212 spectrum    3 weight  0.11000E+01 volume  0.19269E-03 ppm1      6.450 ppm2      3.229 CV     1
  ASSI { 1214}
    (  segid "ocre" and resid 23   and name HE% )
    (( segid "sm_n" and resid 109  and name HG1 ))
       5.100     5.100     0.900 peak  1214 spectrum    3 weight  0.11000E+01 volume  0.21486E-03 ppm1      6.569 ppm2      1.612 CV     1
  ASSI { 1215}
    (  segid "ocre" and resid 41   and name HD% )
    (( segid "sm_n" and resid 106  and name HB1 ))
       5.500     3.700     0.500 peak  1215 spectrum    3 weight  0.11000E+01 volume  0.83730E-04 ppm1      5.840 ppm2      2.170 CV     1
  ASSI { 1216}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "sm_n" and resid 103  and name HG2 ))
       3.400     1.500     1.500 peak  1216 spectrum    3 weight  0.11000E+01 volume  0.42995E-03 ppm1      6.139 ppm2      1.939 CV     1
  ASSI { 1217}
    (  segid "ocre" and resid 41   and name HD% )
    (( segid "sm_n" and resid 108  and name HD11))
       4.500     2.500     1.500 peak  1217 spectrum    3 weight  0.11000E+01 volume  0.17499E-03 ppm1      5.833 ppm2      0.767 CV     1
  ASSI { 1219}
    (  segid "ocre" and resid 48   and name HE% )
    (( segid "sm_n" and resid 103  and name HB1 ))
       5.200     3.400     0.800 peak  1219 spectrum    3 weight  0.11000E+01 volume  0.37062E-03 ppm1      6.647 ppm2      2.252 CV     1
  ASSI { 1220}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "sm_n" and resid 102  and name HB2 ))
       4.100     2.100     1.900 peak  1220 spectrum    3 weight  0.11000E+01 volume  0.20589E-03 ppm1      6.141 ppm2      1.665 CV     1
  ASSI { 1221}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "sm_n" and resid 104  and name HB2 ))
       3.900     1.900     1.900 peak  1221 spectrum    3 weight  0.11000E+01 volume  0.45398E-03 ppm1      6.140 ppm2      1.783 CV     1
  ASSI { 1222}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "sm_n" and resid 103  and name HG1 ))
       4.300     2.300     1.700 peak  1222 spectrum    3 weight  0.11000E+01 volume  0.46756E-03 ppm1      6.137 ppm2      1.986 CV     1
  ASSI { 1224}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "sm_n" and resid 103  and name HB1 ))
       4.500     2.600     1.500 peak  1224 spectrum    3 weight  0.11000E+01 volume  0.46055E-03 ppm1      6.138 ppm2      2.252 CV     1
  ASSI { 1225}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "sm_n" and resid 101  and name HG1 ))
       4.600     4.600     1.400 peak  1225 spectrum    3 weight  0.11000E+01 volume  0.29821E-03 ppm1      6.139 ppm2      2.498 CV     1
  ASSI { 1226}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "sm_n" and resid 104  and name HD2 ))
       3.900     3.900     2.100 peak  1226 spectrum    3 weight  0.11000E+01 volume  0.33972E-03 ppm1      6.138 ppm2      3.449 CV     1
  ASSI { 1227}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "sm_n" and resid 106  and name HD2 ))
       4.600     4.600     1.400 peak  1227 spectrum    3 weight  0.11000E+01 volume  0.45759E-03 ppm1      6.138 ppm2      3.483 CV     1
  ASSI { 1228}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "sm_n" and resid 103  and name HD2 ))
       2.500     0.800     0.800 peak  1228 spectrum    3 weight  0.11000E+01 volume  0.34416E-02 ppm1      6.134 ppm2      3.533 CV     1
  ASSI { 1229}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "sm_n" and resid 104  and name HA  ))
       4.000     4.000     2.000 peak  1229 spectrum    3 weight  0.11000E+01 volume  0.20491E-03 ppm1      6.138 ppm2      4.549 CV     1
  ASSI { 1230}
    (  segid "ocre" and resid 41   and name HE% )
    (( segid "sm_n" and resid 105  and name HA  ))
       3.800     3.800     2.200 peak  1230 spectrum    3 weight  0.11000E+01 volume  0.36594E-03 ppm1      6.142 ppm2      4.602 CV     1
  ASSI { 1231}
    (  segid "ocre" and resid 41   and name HD% )
    (( segid "sm_n" and resid 104  and name HD1 ))
       5.100     5.100     0.900 peak  1231 spectrum    3 weight  0.11000E+01 volume  0.26134E-03 ppm1      5.827 ppm2      3.659 CV     1
  ASSI { 1232}
    (  segid "ocre" and resid 48   and name HE% )
    (( segid "sm_n" and resid 108  and name HG21))
       5.000     5.000     1.000 peak  1232 spectrum    3 weight  0.11000E+01 volume  0.31087E-03 ppm1      6.637 ppm2      0.846 CV     1
  ASSI { 1233}
    (  segid "ocre" and resid 48   and name HE% )
    (( segid "sm_n" and resid 108  and name HD11))
       5.200     3.400     0.800 peak  1233 spectrum    3 weight  0.11000E+01 volume  0.17960E-03 ppm1      6.650 ppm2      0.773 CV     1
  ASSI { 1234}
    (  segid "ocre" and resid 48   and name HE% )
    (( segid "sm_n" and resid 102  and name HG1 ))
       4.300     4.300     1.700 peak  1234 spectrum    3 weight  0.11000E+01 volume  0.56487E-03 ppm1      6.649 ppm2      1.611 CV     1
  ASSI { 1235}
    (  segid "ocre" and resid 48   and name HE% )
    (( segid "sm_n" and resid 104  and name HB2 ))
       4.200     2.200     1.800 peak  1235 spectrum    3 weight  0.11000E+01 volume  0.60387E-03 ppm1      6.649 ppm2      1.782 CV     1
  ASSI { 1236}
    (  segid "ocre" and resid 48   and name HE% )
    (( segid "sm_n" and resid 103  and name HB2 ))
       2.900     2.900     3.100 peak  1236 spectrum    3 weight  0.11000E+01 volume  0.64210E-03 ppm1      6.653 ppm2      1.842 CV     1
  ASSI { 1238}
    (  segid "ocre" and resid 48   and name HE% )
    (( segid "sm_n" and resid 103  and name HG1 ))
       3.600     3.600     2.400 peak  1238 spectrum    3 weight  0.11000E+01 volume  0.11479E-02 ppm1      6.645 ppm2      1.988 CV     1
  ASSI { 1239}
    (  segid "ocre" and resid 48   and name HE% )
    (( segid "sm_n" and resid 106  and name HD2 ))
       5.200     5.200     0.800 peak  1239 spectrum    3 weight  0.11000E+01 volume  0.16760E-03 ppm1      6.651 ppm2      3.465 CV     1
  ASSI { 1240}
    (  segid "ocre" and resid 48   and name HE% )
    (( segid "sm_n" and resid 104  and name HA  ))
       4.300     4.300     1.700 peak  1240 spectrum    3 weight  0.11000E+01 volume  0.31114E-03 ppm1      6.651 ppm2      4.545 CV     1
  ASSI { 1241}
    (  segid "ocre" and resid 48   and name HD% )
    (( segid "sm_n" and resid 105  and name HA  ))
       3.600     3.600     2.400 peak  1241 spectrum    3 weight  0.11000E+01 volume  0.14756E-02 ppm1      7.251 ppm2      4.608 CV     1
  ASSI { 1242}
    (  segid "ocre" and resid 48   and name HD% )
    (( segid "sm_n" and resid 104  and name HD1 ))
       5.300     5.300     0.700 peak  1242 spectrum    3 weight  0.11000E+01 volume  0.35079E-03 ppm1      7.240 ppm2      3.655 CV     1
  ASSI { 1244}
    (  segid "ocre" and resid 23   and name HE% )
    (( segid "sm_n" and resid 106  and name HD2 ))
       3.700     3.700     2.300 peak  1244 spectrum    3 weight  0.11000E+01 volume  0.72659E-03 ppm1      6.561 ppm2      3.466 CV     1
  ASSI { 1246}
    (  segid "ocre" and resid 23   and name HE% )
    (( segid "sm_n" and resid 105  and name HD1 ))
       5.000     5.000     1.000 peak  1246 spectrum    3 weight  0.11000E+01 volume  0.32735E-03 ppm1      6.559 ppm2      3.727 CV     1
  ASSI { 1248}
    (  segid "ocre" and resid 25   and name HE% )
    (( segid "sm_n" and resid 102  and name HB2 ))
       5.500     5.500     0.500 peak  1248 spectrum    3 weight  0.11000E+01 volume  0.97588E-04 ppm1      6.388 ppm2      1.666 CV     1
  ASSI { 1249}
    (  segid "ocre" and resid 25   and name HE% )
    (( segid "sm_n" and resid 105  and name HG1 ))
       5.100     5.100     0.900 peak  1249 spectrum    3 weight  0.11000E+01 volume  0.33271E-03 ppm1      6.378 ppm2      1.948 CV     1
  ASSI { 1251}
    (  segid "ocre" and resid 25   and name HE% )
    (( segid "sm_n" and resid 102  and name HD1 ))
       4.600     2.600     1.400 peak  1251 spectrum    3 weight  0.11000E+01 volume  0.17245E-03 ppm1      6.388 ppm2      3.092 CV     1
  ASSI { 1253}
    (  segid "ocre" and resid 32   and name HE% )
    (( segid "sm_n" and resid 103  and name HG1 ))
       4.500     4.500     1.500 peak  1253 spectrum    3 weight  0.11000E+01 volume  0.43969E-03 ppm1      6.793 ppm2      1.979 CV     1
  ASSI { 1254}
    (  segid "ocre" and resid 32   and name HE% )
    (( segid "sm_n" and resid 105  and name HG1 ))
       3.600     3.600     2.400 peak  1254 spectrum    3 weight  0.11000E+01 volume  0.45898E-03 ppm1      6.793 ppm2      1.920 CV     1
  ASSI { 1255}
    (  segid "ocre" and resid 32   and name HE% )
    (( segid "sm_n" and resid 103  and name HB2 ))
       4.000     4.000     2.000 peak  1255 spectrum    3 weight  0.11000E+01 volume  0.37376E-03 ppm1      6.793 ppm2      1.842 CV     1
  ASSI { 1256}
    (  segid "ocre" and resid 32   and name HE% )
    (( segid "sm_n" and resid 102  and name HG1 ))
       4.300     4.300     1.700 peak  1256 spectrum    3 weight  0.11000E+01 volume  0.21225E-03 ppm1      6.793 ppm2      1.608 CV     1
  ASSI { 1257}
    (  segid "ocre" and resid 32   and name HE% )
    (( segid "sm_n" and resid 108  and name HD11))
       5.000     5.000     1.000 peak  1257 spectrum    3 weight  0.11000E+01 volume  0.21467E-03 ppm1      6.793 ppm2      0.768 CV     1
  ASSI { 1258}
    (  segid "ocre" and resid 32   and name HE% )
    (( segid "sm_n" and resid 108  and name HG21))
       4.400     4.400     1.600 peak  1258 spectrum    3 weight  0.11000E+01 volume  0.83105E-03 ppm1      6.793 ppm2      0.866 CV     1
  ASSI { 1260}
    (  segid "ocre" and resid 32   and name HD% )
    (( segid "sm_n" and resid 103  and name HG1 ))
       5.300     5.300     0.700 peak  1260 spectrum    3 weight  0.11000E+01 volume  0.12027E-03 ppm1      7.292 ppm2      1.979 CV     1
  ASSI { 1262}
    (  segid "ocre" and resid 32   and name HE% )
    (( segid "sm_n" and resid 104  and name HB1 ))
       4.300     4.300     1.700 peak  1262 spectrum    3 weight  0.11000E+01 volume  0.90352E-03 ppm1      6.799 ppm2      2.150 CV     1
  ASSI { 1263}
    (  segid "ocre" and resid 32   and name HD% )
    (( segid "sm_n" and resid 104  and name HB1 ))
       5.600     5.600     0.400 peak  1263 spectrum    3 weight  0.11000E+01 volume  0.13809E-03 ppm1      7.292 ppm2      2.174 CV     1
  ASSI { 1264}
    (  segid "ocre" and resid 32   and name HE% )
    (( segid "sm_n" and resid 102  and name HD1 ))
       3.100     3.100     2.900 peak  1264 spectrum    3 weight  0.11000E+01 volume  0.11535E-02 ppm1      6.793 ppm2      3.092 CV     1
  ASSI { 1265}
    (  segid "ocre" and resid 32   and name HE% )
    (( segid "sm_n" and resid 103  and name HD2 ))
       4.800     4.800     1.200 peak  1265 spectrum    3 weight  0.11000E+01 volume  0.21320E-03 ppm1      6.793 ppm2      3.541 CV     1
  ASSI { 1266}
    (  segid "ocre" and resid 32   and name HE% )
    (( segid "sm_n" and resid 104  and name HD1 ))
       5.000     5.000     1.000 peak  1266 spectrum    3 weight  0.11000E+01 volume  0.18857E-03 ppm1      6.793 ppm2      3.659 CV     1
  ASSI { 1267}
    (  segid "ocre" and resid 39   and name HE% )
    (( segid "sm_n" and resid 103  and name HG2 ))
       4.800     4.800     1.200 peak  1267 spectrum    3 weight  0.11000E+01 volume  0.41897E-03 ppm1      6.731 ppm2      1.951 CV     1
  ASSI { 1268}
    (  segid "ocre" and resid 39   and name HE% )
    (( segid "sm_n" and resid 106  and name HG1 ))
       3.600     3.600     2.400 peak  1268 spectrum    3 weight  0.11000E+01 volume  0.58333E-03 ppm1      6.730 ppm2      1.908 CV     1
  ASSI { 1269}
    (  segid "ocre" and resid 39   and name HE% )
    (( segid "sm_n" and resid 106  and name HB2 ))
       4.200     4.200     1.800 peak  1269 spectrum    3 weight  0.11000E+01 volume  0.43451E-03 ppm1      6.732 ppm2      1.814 CV     1
  ASSI { 1271}
    (  segid "ocre" and resid 39   and name HE% )
    (( segid "sm_n" and resid 108  and name HD11))
       5.200     5.200     0.800 peak  1271 spectrum    3 weight  0.11000E+01 volume  0.17304E-03 ppm1      6.762 ppm2      0.768 CV     1
  ASSI { 1273}
    (  segid "ocre" and resid 39   and name HE% )
    (( segid "sm_n" and resid 103  and name HB2 ))
       4.900     4.900     1.100 peak  1273 spectrum    3 weight  0.11000E+01 volume  0.57800E-03 ppm1      6.731 ppm2      1.848 CV     1
  ASSI { 1274}
    (  segid "ocre" and resid 39   and name HE% )
    (( segid "sm_n" and resid 103  and name HG1 ))
       4.800     4.800     1.200 peak  1274 spectrum    3 weight  0.11000E+01 volume  0.38178E-03 ppm1      6.731 ppm2      1.998 CV     1
  ASSI { 1275}
    (  segid "ocre" and resid 39   and name HE% )
    (( segid "sm_n" and resid 106  and name HB1 ))
       3.800     3.800     2.200 peak  1275 spectrum    3 weight  0.11000E+01 volume  0.33848E-03 ppm1      6.730 ppm2      2.186 CV     1
  ASSI { 1276}
    (  segid "ocre" and resid 39   and name HE% )
    (( segid "sm_n" and resid 109  and name HD1 ))
       3.500     3.500     2.500 peak  1276 spectrum    3 weight  0.11000E+01 volume  0.69697E-03 ppm1      6.732 ppm2      3.124 CV     1
  ASSI { 1277}
    (  segid "ocre" and resid 39   and name HE% )
    (( segid "sm_n" and resid 106  and name HD2 ))
       6.000     6.000     0.000 peak  1277 spectrum    3 weight  0.11000E+01 volume  0.62938E-04 ppm1      6.731 ppm2      3.463 CV     1
  ASSI { 1282}
    (  segid "ocre" and resid 39   and name HE% )
    (( segid "sm_n" and resid 105  and name HA  ))
       3.600     3.600     2.400 peak  1282 spectrum    3 weight  0.11000E+01 volume  0.72854E-03 ppm1      6.731 ppm2      4.596 CV     1
  ASSI {   53}
    (( segid "sm_n" and resid 102  and name HN  ))
    (( segid "sm_n" and resid 101  and name HA  ))
       2.500     0.800     0.800 peak    53 spectrum    4 weight  0.11000E+01 volume  0.60780E-02 ppm1      8.414 ppm2      4.420 CV     1
  ASSI {   55}
    (( segid "sm_n" and resid 102  and name HN  ))
    (( segid "sm_n" and resid 102  and name HB2 ))
       3.600     1.600     1.600 peak    55 spectrum    4 weight  0.11000E+01 volume  0.12770E-02 ppm1      8.414 ppm2      1.654 CV     1
  ASSI {   56}
    (( segid "sm_n" and resid 102  and name HN  ))
    (( segid "sm_n" and resid 102  and name HG1 ))
       3.900     1.900     1.900 peak    56 spectrum    4 weight  0.11000E+01 volume  0.11564E-02 ppm1      8.413 ppm2      1.597 CV     1
  ASSI {   59}
    (( segid "sm_n" and resid 102  and name HN  ))
    (( segid "sm_n" and resid 102  and name HB1 ))
       3.200     1.300     1.300 peak    59 spectrum    4 weight  0.11000E+01 volume  0.80531E-03 ppm1      8.413 ppm2      1.747 CV     1
  ASSI {   63}
    (( segid "sm_n" and resid 109  and name HN  ))
    (( segid "sm_n" and resid 108  and name HB  ))
       3.600     1.700     1.700 peak    63 spectrum    4 weight  0.11000E+01 volume  0.97028E-03 ppm1      8.363 ppm2      1.799 CV     1
  ASSI {   64}
    (( segid "sm_n" and resid 109  and name HN  ))
    (( segid "sm_n" and resid 109  and name HB2 ))
       2.900     1.100     1.100 peak    64 spectrum    4 weight  0.11000E+01 volume  0.15170E-02 ppm1      8.364 ppm2      1.701 CV     1
  ASSI {   65}
    (( segid "sm_n" and resid 109  and name HN  ))
    (( segid "sm_n" and resid 109  and name HG1 ))
       3.200     1.300     1.300 peak    65 spectrum    4 weight  0.11000E+01 volume  0.74476E-03 ppm1      8.365 ppm2      1.583 CV     1
  ASSI {   66}
    (( segid "sm_n" and resid 109  and name HN  ))
    (( segid "sm_n" and resid 108  and name HA  ))
       2.300     0.700     0.700 peak    66 spectrum    4 weight  0.11000E+01 volume  0.75189E-02 ppm1      8.363 ppm2      4.116 CV     1
  ASSI {   67}
    (( segid "sm_n" and resid 109  and name HN  ))
    (( segid "sm_n" and resid 108  and name HG21))
       2.400     2.400     3.600 peak    67 spectrum    4 weight  0.11000E+01 volume  0.16389E-02 ppm1      8.363 ppm2      0.826 CV     1
  ASSI {   71}
    (( segid "sm_n" and resid 107  and name HN  ))
    (( segid "sm_n" and resid 106  and name HA  ))
       2.100     0.600     0.600 peak    71 spectrum    4 weight  0.11000E+01 volume  0.92388E-02 ppm1      8.281 ppm2      4.314 CV     1
  ASSI {   72}
    (( segid "sm_n" and resid 107  and name HN  ))
    (( segid "sm_n" and resid 107  and name HA1 ))
       2.300     0.700     0.700 peak    72 spectrum    4 weight  0.11000E+01 volume  0.72333E-02 ppm1      8.281 ppm2      3.877 CV     1
  ASSI {   73}
    (( segid "sm_n" and resid 107  and name HN  ))
    (( segid "sm_n" and resid 106  and name HB1 ))
       3.700     1.700     1.700 peak    73 spectrum    4 weight  0.11000E+01 volume  0.89837E-03 ppm1      8.280 ppm2      2.163 CV     1
  ASSI {   74}
    (( segid "sm_n" and resid 107  and name HN  ))
    (( segid "sm_n" and resid 106  and name HG1 ))
       2.800     2.800     3.200 peak    74 spectrum    4 weight  0.11000E+01 volume  0.62115E-03 ppm1      8.280 ppm2      1.880 CV     1
  ASSI {   75}
    (( segid "sm_n" and resid 107  and name HN  ))
    (( segid "sm_n" and resid 106  and name HB2 ))
       3.500     1.500     1.500 peak    75 spectrum    4 weight  0.11000E+01 volume  0.85976E-03 ppm1      8.278 ppm2      1.818 CV     1
  ASSI {   77}
    (( segid "sm_n" and resid 110  and name HN  ))
    (( segid "sm_n" and resid 109  and name HA  ))
       2.500     0.800     0.800 peak    77 spectrum    4 weight  0.11000E+01 volume  0.50793E-02 ppm1      7.899 ppm2      4.323 CV     1
  ASSI {   78}
    (( segid "sm_n" and resid 110  and name HN  ))
    (( segid "sm_n" and resid 110  and name HA1 ))
       2.900     1.100     1.100 peak    78 spectrum    4 weight  0.11000E+01 volume  0.24635E-02 ppm1      7.899 ppm2      3.706 CV     1
  ASSI {   79}
    (( segid "sm_n" and resid 110  and name HN  ))
    (( segid "sm_n" and resid 110  and name HA2 ))
       2.900     1.000     1.000 peak    79 spectrum    4 weight  0.11000E+01 volume  0.25528E-02 ppm1      7.899 ppm2      3.674 CV     1
  ASSI {   80}
    (( segid "sm_n" and resid 108  and name HN  ))
    (( segid "sm_n" and resid 108  and name HA  ))
       2.500     0.800     0.800 peak    80 spectrum    4 weight  0.11000E+01 volume  0.25704E-02 ppm1      7.865 ppm2      4.118 CV     1
  ASSI {   81}
    (( segid "sm_n" and resid 108  and name HN  ))
    (( segid "sm_n" and resid 107  and name HA1 ))
       2.000     0.500     0.500 peak    81 spectrum    4 weight  0.11000E+01 volume  0.72227E-02 ppm1      7.868 ppm2      3.878 CV     1
  ASSI {   82}
    (( segid "sm_n" and resid 108  and name HN  ))
    (( segid "sm_n" and resid 108  and name HB  ))
       2.800     1.000     1.000 peak    82 spectrum    4 weight  0.11000E+01 volume  0.46165E-02 ppm1      7.869 ppm2      1.794 CV     1
  ASSI {   83}
    (( segid "sm_n" and resid 108  and name HN  ))
    (( segid "sm_n" and resid 108  and name HG11))
       3.600     1.600     1.600 peak    83 spectrum    4 weight  0.11000E+01 volume  0.12708E-02 ppm1      7.868 ppm2      1.346 CV     1
  ASSI {   84}
    (( segid "sm_n" and resid 108  and name HN  ))
    (( segid "sm_n" and resid 108  and name HG12))
       3.000     1.100     1.100 peak    84 spectrum    4 weight  0.11000E+01 volume  0.14842E-02 ppm1      7.868 ppm2      1.111 CV     1
  ASSI {   85}
    (( segid "sm_n" and resid 108  and name HN  ))
    (( segid "sm_n" and resid 108  and name HG21))
       3.400     1.400     1.400 peak    85 spectrum    4 weight  0.11000E+01 volume  0.19200E-02 ppm1      7.870 ppm2      0.826 CV     1
  ASSI {   86}
    (( segid "sm_n" and resid 108  and name HN  ))
    (( segid "sm_n" and resid 108  and name HD11))
       3.800     1.800     1.800 peak    86 spectrum    4 weight  0.11000E+01 volume  0.52580E-03 ppm1      7.868 ppm2      0.753 CV     1
  ASSI {   88}
    (( segid "sm_n" and resid 107  and name HN  ))
    (( segid "sm_n" and resid 108  and name HN  ))
       3.400     1.400     1.400 peak    88 spectrum    4 weight  0.11000E+01 volume  0.75896E-03 ppm1      8.280 ppm2      7.869 CV     1
  ASSI {   89}
    (( segid "sm_n" and resid 108  and name HN  ))
    (( segid "sm_n" and resid 109  and name HN  ))
       3.100     1.200     1.200 peak    89 spectrum    4 weight  0.11000E+01 volume  0.84603E-03 ppm1      7.877 ppm2      8.359 CV     1
  ASSI {  107}
    (( segid "sm_n" and resid 109  and name HN  ))
    (( segid "sm_n" and resid 108  and name HD11))
       3.300     3.300     2.700 peak   107 spectrum    4 weight  0.11000E+01 volume  0.23626E-03 ppm1      8.365 ppm2      0.758 CV     1
  ASSI {  108}
    (( segid "sm_n" and resid 107  and name HN  ))
    (( segid "sm_n" and resid 108  and name HD11))
       5.700     4.100     0.300 peak   108 spectrum    4 weight  0.11000E+01 volume  0.92249E-04 ppm1      8.282 ppm2      0.755 CV     1
  ASSI {  109}
    (( segid "sm_n" and resid 107  and name HN  ))
    (( segid "sm_n" and resid 108  and name HG21))
       5.900     4.400     0.100 peak   109 spectrum    4 weight  0.11000E+01 volume  0.14790E-03 ppm1      8.276 ppm2      0.826 CV     1
  ASSI {  110}
    (( segid "sm_n" and resid 109  and name HN  ))
    (( segid "sm_n" and resid 108  and name HG12))
       4.400     2.400     1.600 peak   110 spectrum    4 weight  0.11000E+01 volume  0.14491E-03 ppm1      8.362 ppm2      1.116 CV     1
  ASSI {  111}
    (( segid "sm_n" and resid 109  and name HN  ))
    (( segid "sm_n" and resid 108  and name HG11))
       3.300     3.300     2.700 peak   111 spectrum    4 weight  0.11000E+01 volume  0.21791E-03 ppm1      8.368 ppm2      1.355 CV     1
  ASSI {  112}
    (( segid "sm_n" and resid 109  and name HN  ))
    (( segid "sm_n" and resid 109  and name HB1 ))
       4.200     2.200     1.800 peak   112 spectrum    4 weight  0.11000E+01 volume  0.77693E-03 ppm1      8.366 ppm2      1.828 CV     1
  ASSI {  113}
    (( segid "sm_n" and resid 109  and name HN  ))
    (( segid "sm_n" and resid 109  and name HD1 ))
       5.700     4.000     0.300 peak   113 spectrum    4 weight  0.11000E+01 volume  0.11687E-03 ppm1      8.361 ppm2      3.114 CV     1
  ASSI {  114}
    (( segid "sm_n" and resid 110  and name HN  ))
    (( segid "sm_n" and resid 109  and name HG1 ))
       5.000     3.200     1.000 peak   114 spectrum    4 weight  0.11000E+01 volume  0.23555E-03 ppm1      7.891 ppm2      1.575 CV     1
  ASSI {  115}
    (( segid "sm_n" and resid 110  and name HN  ))
    (( segid "sm_n" and resid 109  and name HB2 ))
       4.500     2.500     1.500 peak   115 spectrum    4 weight  0.11000E+01 volume  0.28122E-03 ppm1      7.899 ppm2      1.695 CV     1
  ASSI {  116}
    (( segid "sm_n" and resid 102  and name HN  ))
    (( segid "sm_n" and resid 101  and name HG1 ))
       4.100     2.100     1.900 peak   116 spectrum    4 weight  0.11000E+01 volume  0.18346E-03 ppm1      8.417 ppm2      2.485 CV     1
  ASSI {  117}
    (( segid "sm_n" and resid 102  and name HN  ))
    (( segid "sm_n" and resid 101  and name HB2 ))
       4.000     2.000     2.000 peak   117 spectrum    4 weight  0.11000E+01 volume  0.27048E-03 ppm1      8.417 ppm2      1.920 CV     1
  ASSI {  119}
    (( segid "sm_n" and resid 102  and name HN  ))
    (( segid "sm_n" and resid 102  and name HD1 ))
       5.100     3.200     0.900 peak   119 spectrum    4 weight  0.11000E+01 volume  0.16464E-03 ppm1      8.409 ppm2      3.075 CV     1
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1 -18.866   5.153 -12.721
    2    H2   GLY   1           HT2      GLY   1 -18.314   3.677 -12.094
    3    H3   GLY   1           HT3      GLY   1 -17.304   4.605 -13.089
    4    HA2  GLY   1           HA1      GLY   1 -16.654   4.811 -10.772
    5    HA3  GLY   1           HA2      GLY   1 -17.198   6.345 -11.440
    6    H    ALA   2           HN       ALA   2 -18.625   3.469  -9.903
    7    HA   ALA   2           HA       ALA   2 -19.810   5.161  -7.857
    8    HB1  ALA   2           HB1      ALA   2 -22.075   4.310  -8.204
    9    HB2  ALA   2           HB2      ALA   2 -21.531   3.428  -9.632
   10    HB3  ALA   2           HB3      ALA   2 -21.502   5.191  -9.621
   11    H    MET   3           HN       MET   3 -19.545   1.905  -9.234
   12    HA   MET   3           HA       MET   3 -19.428   0.861  -6.484
   13    HB2  MET   3           HB2      MET   3 -20.431  -0.534  -8.971
   14    HB3  MET   3           HB1      MET   3 -20.292  -1.273  -7.381
   15    HG2  MET   3           HG2      MET   3 -21.908   0.330  -6.498
   16    HG3  MET   3           HG1      MET   3 -22.052   1.061  -8.094
   17    HE1  MET   3           HE1      MET   3 -24.641   0.804  -8.127
   18    HE2  MET   3           HE2      MET   3 -24.571   0.143  -6.494
   19    HE3  MET   3           HE3      MET   3 -25.493  -0.692  -7.743
   20    H    GLY   4           HN       GLY   4 -18.239  -1.310  -6.413
   21    HA2  GLY   4           HA2      GLY   4 -16.425  -2.632  -7.337
   22    HA3  GLY   4           HA1      GLY   4 -15.865  -1.182  -8.164
   23    H    THR   5           HN       THR   5 -16.691   0.184  -5.494
   24    HA   THR   5           HA       THR   5 -14.024   0.078  -4.392
   25    HB   THR   5           HB       THR   5 -15.006   1.896  -2.858
   26    HG1  THR   5           HG1      THR   5 -16.906   2.890  -3.775
   27   HG21  THR   5          HG21      THR   5 -14.918   2.359  -5.841
   28   HG22  THR   5          HG22      THR   5 -13.527   2.366  -4.755
   29   HG23  THR   5          HG23      THR   5 -14.778   3.600  -4.596
   30    H    LYS   6           HN       LYS   6 -14.799  -2.311  -3.859
   31    HA   LYS   6           HA       LYS   6 -15.632  -2.248  -1.034
   32    HB2  LYS   6           HB2      LYS   6 -17.246  -3.500  -2.354
   33    HB3  LYS   6           HB1      LYS   6 -15.963  -4.481  -3.050
   34    HG2  LYS   6           HG2      LYS   6 -17.141  -5.719  -1.338
   35    HG3  LYS   6           HG1      LYS   6 -15.479  -5.413  -0.832
   36    HD2  LYS   6           HD2      LYS   6 -16.370  -3.415   0.443
   37    HD3  LYS   6           HD1      LYS   6 -17.989  -4.039   0.112
   38    HE2  LYS   6           HE2      LYS   6 -17.344  -6.167   1.194
   39    HE3  LYS   6           HE1      LYS   6 -15.784  -5.457   1.604
   40    HZ1  LYS   6           HZ1      LYS   6 -18.457  -4.637   2.581
   41    HZ2  LYS   6           HZ2      LYS   6 -17.065  -3.699   2.818
   42    HZ3  LYS   6           HZ3      LYS   6 -17.167  -5.255   3.492
   43    H    TYR   7           HN       TYR   7 -13.507  -1.809  -0.404
   44    HA   TYR   7           HA       TYR   7 -11.632  -4.063  -0.741
   45    HB2  TYR   7           HB2      TYR   7 -10.970  -1.140  -0.294
   46    HB3  TYR   7           HB1      TYR   7  -9.807  -2.447  -0.498
   47    HD1  TYR   7           HD1      TYR   7 -11.960  -0.074  -2.160
   48    HD2  TYR   7           HD2      TYR   7  -9.645  -3.597  -2.721
   49    HE1  TYR   7           HE1      TYR   7 -11.992   0.302  -4.589
   50    HE2  TYR   7           HE2      TYR   7  -9.667  -3.234  -5.152
   51    HH   TYR   7           HH       TYR   7 -11.009  -2.077  -6.831
   52    H    ALA   8           HN       ALA   8 -10.077  -4.230   1.118
   53    HA   ALA   8           HA       ALA   8 -10.960  -3.085   3.618
   54    HB1  ALA   8           HB1      ALA   8 -10.846  -6.079   3.291
   55    HB2  ALA   8           HB2      ALA   8 -12.316  -5.124   3.490
   56    HB3  ALA   8           HB3      ALA   8 -11.131  -5.203   4.795
   57    H    VAL   9           HN       VAL   9  -9.423  -4.853   5.239
   58    HA   VAL   9           HA       VAL   9  -6.885  -3.688   4.967
   59    HB   VAL   9           HB       VAL   9  -7.580  -6.202   6.496
   60   HG11  VAL   9          HG11      VAL   9  -5.184  -5.824   6.286
   61   HG12  VAL   9          HG12      VAL   9  -5.715  -5.559   7.947
   62   HG13  VAL   9          HG13      VAL   9  -5.379  -4.181   6.899
   63   HG21  VAL   9          HG21      VAL   9  -7.985  -4.730   8.413
   64   HG22  VAL   9          HG22      VAL   9  -9.111  -4.414   7.093
   65   HG23  VAL   9          HG23      VAL   9  -7.754  -3.323   7.374
   66    HA   PRO  10           HA       PRO  10  -5.344  -6.330   1.703
   67    HB2  PRO  10           HB2      PRO  10  -2.747  -5.148   2.455
   68    HB3  PRO  10           HB1      PRO  10  -3.594  -5.102   0.905
   69    HG2  PRO  10           HG2      PRO  10  -3.406  -2.925   2.455
   70    HG3  PRO  10           HG1      PRO  10  -4.868  -3.265   1.508
   71    HD2  PRO  10           HD2      PRO  10  -4.358  -3.693   4.429
   72    HD3  PRO  10           HD1      PRO  10  -5.809  -3.059   3.622
   73    H    ASP  11           HN       ASP  11  -3.994  -8.165   1.523
   74    HA   ASP  11           HA       ASP  11  -3.586  -9.492   4.057
   75    HB2  ASP  11           HB2      ASP  11  -4.579 -10.603   1.994
   76    HB3  ASP  11           HB1      ASP  11  -2.946 -10.602   1.331
   77    H    THR  12           HN       THR  12  -1.801  -9.117   5.143
   78    HA   THR  12           HA       THR  12   0.445  -7.832   4.043
   79    HB   THR  12           HB       THR  12   1.485  -8.483   6.318
   80    HG1  THR  12           HG1      THR  12   0.322  -9.796   7.487
   81   HG21  THR  12          HG21      THR  12  -1.049  -6.844   6.195
   82   HG22  THR  12          HG22      THR  12   0.576  -6.269   5.816
   83   HG23  THR  12          HG23      THR  12   0.174  -6.756   7.464
   84    H    SER  13           HN       SER  13  -0.313 -11.206   4.418
   85    HA   SER  13           HA       SER  13   2.424 -12.084   4.243
   86    HB2  SER  13           HB2      SER  13  -0.131 -13.678   3.939
   87    HB3  SER  13           HB1      SER  13   1.483 -14.330   4.223
   88    HG   SER  13           HG       SER  13   1.368 -12.851   6.183
   89    H    THR  14           HN       THR  14  -0.037 -11.202   2.030
   90    HA   THR  14           HA       THR  14   0.864 -12.832  -0.153
   91    HB   THR  14           HB       THR  14  -0.919 -10.392  -0.302
   92    HG1  THR  14           HG1      THR  14  -1.414 -12.454   1.138
   93   HG21  THR  14          HG21      THR  14  -0.123 -11.235  -2.467
   94   HG22  THR  14          HG22      THR  14  -1.854 -11.504  -2.262
   95   HG23  THR  14          HG23      THR  14  -0.724 -12.841  -2.057
   96    H    TYR  15           HN       TYR  15   1.848  -9.853   1.204
   97    HA   TYR  15           HA       TYR  15   2.950  -8.664  -1.151
   98    HB2  TYR  15           HB2      TYR  15   3.444  -8.197   1.785
   99    HB3  TYR  15           HB1      TYR  15   4.265  -7.290   0.528
  100    HD1  TYR  15           HD1      TYR  15   1.038  -7.912   2.166
  101    HD2  TYR  15           HD2      TYR  15   3.129  -5.535  -0.680
  102    HE1  TYR  15           HE1      TYR  15  -0.797  -6.276   2.192
  103    HE2  TYR  15           HE2      TYR  15   1.300  -3.898  -0.659
  104    HH   TYR  15           HH       TYR  15  -1.117  -3.846  -0.123
  105    H    GLN  16           HN       GLN  16   4.952  -8.820  -2.003
  106    HA   GLN  16           HA       GLN  16   6.853 -10.666  -0.748
  107    HB2  GLN  16           HB2      GLN  16   6.677  -9.513  -3.531
  108    HB3  GLN  16           HB1      GLN  16   8.095 -10.381  -2.953
  109    HG2  GLN  16           HG2      GLN  16   6.645 -12.336  -2.488
  110    HG3  GLN  16           HG1      GLN  16   5.297 -11.460  -3.215
  111   HE21  GLN  16          HE21      GLN  16   8.323 -13.075  -3.794
  112   HE22  GLN  16          HE22      GLN  16   8.146 -13.197  -5.515
  113    H    TYR  17           HN       TYR  17   9.222  -9.932  -0.991
  114    HA   TYR  17           HA       TYR  17   9.261  -7.321   0.340
  115    HB2  TYR  17           HB2      TYR  17  10.084  -9.320   1.551
  116    HB3  TYR  17           HB1      TYR  17  11.327  -9.529   0.326
  117    HD1  TYR  17           HD1      TYR  17  10.120  -7.212   2.956
  118    HD2  TYR  17           HD2      TYR  17  13.381  -8.390   0.495
  119    HE1  TYR  17           HE1      TYR  17  11.616  -5.774   4.267
  120    HE2  TYR  17           HE2      TYR  17  14.891  -6.951   1.799
  121    HH   TYR  17           HH       TYR  17  14.002  -5.596   4.793
  122    H    ASP  18           HN       ASP  18  10.017  -5.605  -0.692
  123    HA   ASP  18           HA       ASP  18  11.878  -5.911  -2.933
  124    HB2  ASP  18           HB2      ASP  18  10.053  -4.356  -3.318
  125    HB3  ASP  18           HB1      ASP  18  10.431  -3.485  -1.836
  126    H    GLU  19           HN       GLU  19  13.965  -5.963  -2.469
  127    HA   GLU  19           HA       GLU  19  14.928  -5.487   0.143
  128    HB2  GLU  19           HB2      GLU  19  16.475  -5.913  -2.413
  129    HB3  GLU  19           HB1      GLU  19  17.081  -6.109  -0.781
  130    HG2  GLU  19           HG2      GLU  19  15.522  -7.946  -0.409
  131    HG3  GLU  19           HG1      GLU  19  14.914  -7.749  -2.053
  132    H    SER  20           HN       SER  20  15.010  -3.597  -2.830
  133    HA   SER  20           HA       SER  20  17.115  -1.878  -2.119
  134    HB2  SER  20           HB2      SER  20  16.094  -2.171  -4.418
  135    HB3  SER  20           HB1      SER  20  14.774  -1.133  -3.877
  136    HG   SER  20           HG       SER  20  17.481  -0.334  -3.667
  137    H    SER  21           HN       SER  21  13.607  -1.481  -1.744
  138    HA   SER  21           HA       SER  21  13.975   0.967  -0.180
  139    HB2  SER  21           HB2      SER  21  11.358  -0.436  -0.578
  140    HB3  SER  21           HB1      SER  21  11.700   1.295  -0.470
  141    HG   SER  21           HG       SER  21  12.106  -0.478  -2.631
  142    H    GLY  22           HN       GLY  22  13.196  -2.432   0.236
  143    HA2  GLY  22           HA2      GLY  22  13.540  -3.672   2.194
  144    HA3  GLY  22           HA1      GLY  22  13.635  -2.172   3.108
  145    H    TYR  23           HN       TYR  23  11.021  -2.915   0.874
  146    HA   TYR  23           HA       TYR  23   9.188  -3.130   3.169
  147    HB2  TYR  23           HB2      TYR  23   8.569  -1.322   0.840
  148    HB3  TYR  23           HB1      TYR  23   7.743  -1.422   2.390
  149    HD1  TYR  23           HD1      TYR  23   9.509  -1.027   4.453
  150    HD2  TYR  23           HD2      TYR  23   9.798   0.548   0.522
  151    HE1  TYR  23           HE1      TYR  23  10.935   0.789   5.295
  152    HE2  TYR  23           HE2      TYR  23  11.216   2.369   1.329
  153    HH   TYR  23           HH       TYR  23  12.652   2.337   4.418
  154    H    TYR  24           HN       TYR  24   6.822  -3.341   2.123
  155    HA   TYR  24           HA       TYR  24   7.070  -5.830   0.621
  156    HB2  TYR  24           HB2      TYR  24   4.874  -4.651   2.308
  157    HB3  TYR  24           HB1      TYR  24   4.655  -6.104   1.345
  158    HD1  TYR  24           HD1      TYR  24   6.740  -7.840   1.736
  159    HD2  TYR  24           HD2      TYR  24   5.233  -5.012   4.535
  160    HE1  TYR  24           HE1      TYR  24   7.599  -9.216   3.580
  161    HE2  TYR  24           HE2      TYR  24   6.101  -6.377   6.384
  162    HH   TYR  24           HH       TYR  24   6.641  -8.805   6.754
  163    H    TYR  25           HN       TYR  25   6.107  -6.247  -1.271
  164    HA   TYR  25           HA       TYR  25   4.224  -4.283  -2.390
  165    HB2  TYR  25           HB2      TYR  25   6.381  -3.990  -3.547
  166    HB3  TYR  25           HB1      TYR  25   6.420  -5.710  -3.923
  167    HD1  TYR  25           HD1      TYR  25   4.600  -6.643  -5.442
  168    HD2  TYR  25           HD2      TYR  25   5.278  -2.479  -4.962
  169    HE1  TYR  25           HE1      TYR  25   3.380  -6.216  -7.517
  170    HE2  TYR  25           HE2      TYR  25   4.057  -2.027  -7.046
  171    HH   TYR  25           HH       TYR  25   2.172  -4.397  -8.612
  172    H    ASP  26           HN       ASP  26   2.349  -5.208  -2.928
  173    HA   ASP  26           HA       ASP  26   2.223  -8.142  -3.035
  174    HB2  ASP  26           HB2      ASP  26   0.717  -7.273  -1.410
  175    HB3  ASP  26           HB1      ASP  26   0.125  -6.038  -2.516
  176    HA   PRO  27           HA       PRO  27   1.890  -7.634  -7.456
  177    HB2  PRO  27           HB2      PRO  27   1.554 -10.559  -7.385
  178    HB3  PRO  27           HB1      PRO  27   2.792  -9.587  -8.186
  179    HG2  PRO  27           HG2      PRO  27   3.358 -11.057  -6.016
  180    HG3  PRO  27           HG1      PRO  27   4.122  -9.480  -6.297
  181    HD2  PRO  27           HD2      PRO  27   1.832 -10.179  -4.490
  182    HD3  PRO  27           HD1      PRO  27   3.229  -9.123  -4.177
  183    H    THR  28           HN       THR  28  -0.423  -9.258  -5.354
  184    HA   THR  28           HA       THR  28  -2.224  -9.907  -7.482
  185    HB   THR  28           HB       THR  28  -3.825 -10.533  -5.728
  186    HG1  THR  28           HG1      THR  28  -1.805  -9.606  -3.920
  187   HG21  THR  28          HG21      THR  28  -2.498 -12.339  -4.726
  188   HG22  THR  28          HG22      THR  28  -1.018 -11.533  -5.248
  189   HG23  THR  28          HG23      THR  28  -2.157 -12.154  -6.445
  190    H    THR  29           HN       THR  29  -2.263  -7.397  -4.938
  191    HA   THR  29           HA       THR  29  -4.466  -6.098  -6.354
  192    HB   THR  29           HB       THR  29  -4.511  -4.530  -4.420
  193    HG1  THR  29           HG1      THR  29  -2.727  -6.332  -3.128
  194   HG21  THR  29          HG21      THR  29  -5.966  -6.497  -4.445
  195   HG22  THR  29          HG22      THR  29  -5.435  -6.119  -2.806
  196   HG23  THR  29          HG23      THR  29  -4.689  -7.453  -3.686
  197    H    GLY  30           HN       GLY  30  -1.070  -5.879  -5.985
  198    HA2  GLY  30           HA2      GLY  30   0.414  -4.496  -7.116
  199    HA3  GLY  30           HA1      GLY  30  -0.947  -3.548  -7.696
  200    H    LEU  31           HN       LEU  31  -0.531  -4.310  -4.332
  201    HA   LEU  31           HA       LEU  31  -0.390  -1.449  -3.785
  202    HB2  LEU  31           HB2      LEU  31  -1.572  -3.756  -2.458
  203    HB3  LEU  31           HB1      LEU  31  -0.673  -2.731  -1.355
  204    HG   LEU  31           HG       LEU  31  -2.029  -0.787  -2.179
  205   HD11  LEU  31          HD11      LEU  31  -3.655  -2.953  -3.493
  206   HD12  LEU  31          HD12      LEU  31  -2.732  -1.700  -4.320
  207   HD13  LEU  31          HD13      LEU  31  -4.125  -1.262  -3.333
  208   HD21  LEU  31          HD21      LEU  31  -3.528  -3.081  -0.932
  209   HD22  LEU  31          HD22      LEU  31  -4.012  -1.386  -0.884
  210   HD23  LEU  31          HD23      LEU  31  -2.530  -1.903  -0.081
  211    H    TYR  32           HN       TYR  32   1.138  -0.503  -2.672
  212    HA   TYR  32           HA       TYR  32   3.503  -1.962  -1.765
  213    HB2  TYR  32           HB2      TYR  32   2.849   0.980  -2.096
  214    HB3  TYR  32           HB1      TYR  32   4.334   0.408  -1.359
  215    HD1  TYR  32           HD1      TYR  32   2.452  -0.301  -4.551
  216    HD2  TYR  32           HD2      TYR  32   6.142   0.614  -2.677
  217    HE1  TYR  32           HE1      TYR  32   3.573  -0.297  -6.741
  218    HE2  TYR  32           HE2      TYR  32   7.272   0.642  -4.832
  219    HH   TYR  32           HH       TYR  32   6.919  -0.435  -7.075
  220    H    TYR  33           HN       TYR  33   4.079  -1.915   0.472
  221    HA   TYR  33           HA       TYR  33   2.450  -0.317   2.267
  222    HB2  TYR  33           HB2      TYR  33   1.107  -2.337   2.138
  223    HB3  TYR  33           HB1      TYR  33   2.515  -3.332   2.493
  224    HD1  TYR  33           HD1      TYR  33   1.075  -0.252   4.063
  225    HD2  TYR  33           HD2      TYR  33   2.332  -4.282   4.598
  226    HE1  TYR  33           HE1      TYR  33   0.548  -0.093   6.456
  227    HE2  TYR  33           HE2      TYR  33   1.806  -4.133   6.992
  228    HH   TYR  33           HH       TYR  33   1.427  -2.604   8.711
  229    H    ASP  34           HN       ASP  34   3.617   0.473   3.877
  230    HA   ASP  34           HA       ASP  34   5.850  -1.185   4.874
  231    HB2  ASP  34           HB2      ASP  34   6.866   0.732   3.840
  232    HB3  ASP  34           HB1      ASP  34   5.750   1.823   4.654
  233    HA   PRO  35           HA       PRO  35   3.265  -1.130   8.500
  234    HB2  PRO  35           HB2      PRO  35   5.683  -2.333   9.706
  235    HB3  PRO  35           HB1      PRO  35   4.031  -2.949   9.657
  236    HG2  PRO  35           HG2      PRO  35   5.941  -4.035   8.147
  237    HG3  PRO  35           HG1      PRO  35   4.289  -3.834   7.528
  238    HD2  PRO  35           HD2      PRO  35   6.730  -2.178   6.995
  239    HD3  PRO  35           HD1      PRO  35   5.468  -2.717   5.866
  240    H    ASN  36           HN       ASN  36   6.495   0.178   8.196
  241    HA   ASN  36           HA       ASN  36   6.494   1.442  10.788
  242    HB2  ASN  36           HB2      ASN  36   8.328   1.507   8.412
  243    HB3  ASN  36           HB1      ASN  36   8.514   2.687   9.707
  244   HD21  ASN  36          HD21      ASN  36   9.283   2.051  11.669
  245   HD22  ASN  36          HD22      ASN  36   9.951   0.481  11.968
  246    H    SER  37           HN       SER  37   6.031   2.554   7.438
  247    HA   SER  37           HA       SER  37   5.464   5.256   8.348
  248    HB2  SER  37           HB2      SER  37   5.160   4.140   5.556
  249    HB3  SER  37           HB1      SER  37   5.338   5.831   6.024
  250    HG   SER  37           HG       SER  37   7.261   3.764   6.015
  251    H    GLN  38           HN       GLN  38   3.796   2.382   7.768
  252    HA   GLN  38           HA       GLN  38   1.651   1.743   7.910
  253    HB2  GLN  38           HB2      GLN  38   1.374   4.423   9.246
  254    HB3  GLN  38           HB1      GLN  38   0.056   3.267   9.125
  255    HG2  GLN  38           HG2      GLN  38   1.549   1.613  10.290
  256    HG3  GLN  38           HG1      GLN  38   2.653   2.952  10.598
  257   HE21  GLN  38          HE21      GLN  38  -0.822   3.295  10.549
  258   HE22  GLN  38          HE22      GLN  38  -1.015   3.592  12.250
  259    H    TYR  39           HN       TYR  39   2.578   3.641   5.573
  260    HA   TYR  39           HA       TYR  39  -0.177   4.052   4.676
  261    HB2  TYR  39           HB2      TYR  39   0.463   5.779   3.182
  262    HB3  TYR  39           HB1      TYR  39   1.203   6.140   4.728
  263    HD1  TYR  39           HD1      TYR  39   1.800   5.181   1.228
  264    HD2  TYR  39           HD2      TYR  39   3.610   6.210   4.946
  265    HE1  TYR  39           HE1      TYR  39   3.929   5.613   0.047
  266    HE2  TYR  39           HE2      TYR  39   5.743   6.628   3.798
  267    HH   TYR  39           HH       TYR  39   6.009   6.685   0.324
  268    H    TYR  40           HN       TYR  40  -0.688   3.649   2.527
  269    HA   TYR  40           HA       TYR  40   0.753   1.342   1.403
  270    HB2  TYR  40           HB2      TYR  40  -2.173   2.102   1.170
  271    HB3  TYR  40           HB1      TYR  40  -1.422   0.720   0.384
  272    HD1  TYR  40           HD1      TYR  40  -2.342   2.144   3.679
  273    HD2  TYR  40           HD2      TYR  40  -1.152  -1.327   1.526
  274    HE1  TYR  40           HE1      TYR  40  -2.875   0.753   5.636
  275    HE2  TYR  40           HE2      TYR  40  -1.679  -2.724   3.475
  276    HH   TYR  40           HH       TYR  40  -1.910  -2.501   5.900
  277    H    TYR  41           HN       TYR  41   0.387   1.216  -1.056
  278    HA   TYR  41           HA       TYR  41  -0.564   3.588  -2.311
  279    HB2  TYR  41           HB2      TYR  41   1.337   4.726  -2.510
  280    HB3  TYR  41           HB1      TYR  41   2.214   3.453  -1.693
  281    HD1  TYR  41           HD1      TYR  41   0.700   3.399  -5.087
  282    HD2  TYR  41           HD2      TYR  41   4.288   3.466  -2.785
  283    HE1  TYR  41           HE1      TYR  41   2.000   3.012  -7.108
  284    HE2  TYR  41           HE2      TYR  41   5.593   3.045  -4.800
  285    HH   TYR  41           HH       TYR  41   5.378   2.271  -7.010
  286    H    ASN  42           HN       ASN  42  -1.455   3.119  -4.249
  287    HA   ASN  42           HA       ASN  42  -0.915   0.420  -5.317
  288    HB2  ASN  42           HB2      ASN  42  -3.249   0.704  -4.722
  289    HB3  ASN  42           HB1      ASN  42  -3.341   2.201  -5.640
  290   HD21  ASN  42          HD21      ASN  42  -3.148  -1.275  -5.840
  291   HD22  ASN  42          HD22      ASN  42  -3.638  -1.396  -7.491
  292    H    SER  43           HN       SER  43   0.331   0.353  -7.064
  293    HA   SER  43           HA       SER  43   1.007   2.801  -8.412
  294    HB2  SER  43           HB2      SER  43   2.525   1.155  -9.722
  295    HB3  SER  43           HB1      SER  43   2.860   1.446  -8.005
  296    HG   SER  43           HG       SER  43   2.861  -0.768  -8.369
  297    H    LEU  44           HN       LEU  44  -1.284   0.347  -8.967
  298    HA   LEU  44           HA       LEU  44  -1.394   0.522 -11.802
  299    HB2  LEU  44           HB2      LEU  44  -3.422  -0.336  -9.749
  300    HB3  LEU  44           HB1      LEU  44  -3.785  -0.315 -11.461
  301    HG   LEU  44           HG       LEU  44  -1.819  -1.887 -11.776
  302   HD11  LEU  44          HD11      LEU  44  -0.714  -1.465  -9.639
  303   HD12  LEU  44          HD12      LEU  44  -1.092  -3.175  -9.857
  304   HD13  LEU  44          HD13      LEU  44  -2.088  -2.181  -8.791
  305   HD21  LEU  44          HD21      LEU  44  -4.155  -2.827 -10.124
  306   HD22  LEU  44          HD22      LEU  44  -3.107  -3.848 -11.109
  307   HD23  LEU  44          HD23      LEU  44  -4.128  -2.632 -11.877
  308    H    THR  45           HN       THR  45  -2.857   2.323  -9.174
  309    HA   THR  45           HA       THR  45  -4.067   4.197 -11.068
  310    HB   THR  45           HB       THR  45  -4.894   5.318  -8.938
  311    HG1  THR  45           HG1      THR  45  -4.255   2.877  -7.654
  312   HG21  THR  45          HG21      THR  45  -6.641   3.639  -8.530
  313   HG22  THR  45          HG22      THR  45  -5.689   2.442  -9.407
  314   HG23  THR  45          HG23      THR  45  -6.332   3.848 -10.255
  315    H    GLN  46           HN       GLN  46  -1.242   3.644  -9.416
  316    HA   GLN  46           HA       GLN  46   0.692   4.753  -9.081
  317    HB2  GLN  46           HB2      GLN  46   0.134   5.534 -11.460
  318    HB3  GLN  46           HB1      GLN  46  -0.397   7.037 -10.720
  319    HG2  GLN  46           HG2      GLN  46   1.806   7.449  -9.860
  320    HG3  GLN  46           HG1      GLN  46   2.364   5.873 -10.421
  321   HE21  GLN  46          HE21      GLN  46   2.655   5.525 -12.629
  322   HE22  GLN  46          HE22      GLN  46   2.837   6.846 -13.734
  323    H    GLN  47           HN       GLN  47  -1.502   5.007  -7.272
  324    HA   GLN  47           HA       GLN  47  -1.162   7.749  -6.268
  325    HB2  GLN  47           HB2      GLN  47  -3.468   5.827  -5.964
  326    HB3  GLN  47           HB1      GLN  47  -3.338   7.335  -5.072
  327    HG2  GLN  47           HG2      GLN  47  -3.354   7.191  -8.072
  328    HG3  GLN  47           HG1      GLN  47  -4.811   7.374  -7.100
  329   HE21  GLN  47          HE21      GLN  47  -5.316   9.365  -7.923
  330   HE22  GLN  47          HE22      GLN  47  -4.399  10.791  -7.566
  331    H    TYR  48           HN       TYR  48  -0.127   8.006  -4.429
  332    HA   TYR  48           HA       TYR  48   0.505   5.915  -2.600
  333    HB2  TYR  48           HB2      TYR  48   0.888   8.819  -2.814
  334    HB3  TYR  48           HB1      TYR  48   0.624   8.284  -1.163
  335    HD1  TYR  48           HD1      TYR  48   2.815   9.036  -0.532
  336    HD2  TYR  48           HD2      TYR  48   2.399   6.035  -3.525
  337    HE1  TYR  48           HE1      TYR  48   5.177   8.459  -0.289
  338    HE2  TYR  48           HE2      TYR  48   4.764   5.464  -3.311
  339    HH   TYR  48           HH       TYR  48   6.772   6.234  -2.455
  340    H    LEU  49           HN       LEU  49  -0.832   5.036  -1.078
  341    HA   LEU  49           HA       LEU  49  -3.463   6.325  -0.764
  342    HB2  LEU  49           HB2      LEU  49  -2.763   3.421  -1.126
  343    HB3  LEU  49           HB1      LEU  49  -4.332   3.951  -0.553
  344    HG   LEU  49           HG       LEU  49  -3.145   4.765  -3.188
  345   HD11  LEU  49          HD11      LEU  49  -5.174   2.633  -2.617
  346   HD12  LEU  49          HD12      LEU  49  -3.523   2.372  -3.171
  347   HD13  LEU  49          HD13      LEU  49  -4.685   3.191  -4.215
  348   HD21  LEU  49          HD21      LEU  49  -4.759   6.350  -2.350
  349   HD22  LEU  49          HD22      LEU  49  -5.914   5.048  -2.067
  350   HD23  LEU  49          HD23      LEU  49  -5.433   5.458  -3.714
  351    H    TYR  50           HN       TYR  50  -4.722   5.261   1.050
  352    HA   TYR  50           HA       TYR  50  -3.180   4.431   3.346
  353    HB2  TYR  50           HB2      TYR  50  -2.899   6.704   3.762
  354    HB3  TYR  50           HB1      TYR  50  -4.441   7.132   3.040
  355    HD1  TYR  50           HD1      TYR  50  -6.135   7.782   4.417
  356    HD2  TYR  50           HD2      TYR  50  -3.089   5.275   6.003
  357    HE1  TYR  50           HE1      TYR  50  -7.140   7.992   6.638
  358    HE2  TYR  50           HE2      TYR  50  -4.089   5.470   8.243
  359    HH   TYR  50           HH       TYR  50  -5.546   6.955   9.495
  360    H    TRP  51           HN       TRP  51  -4.383   3.021   4.532
  361    HA   TRP  51           HA       TRP  51  -7.058   2.497   3.590
  362    HB2  TRP  51           HB2      TRP  51  -5.605   0.578   3.992
  363    HB3  TRP  51           HB1      TRP  51  -5.426   1.044   5.665
  364    HD1  TRP  51           HD1      TRP  51  -6.839  -0.530   7.168
  365    HE1  TRP  51           HE1      TRP  51  -9.177  -1.588   6.999
  366    HE3  TRP  51           HE3      TRP  51  -8.090   1.149   2.551
  367    HZ2  TRP  51           HZ2      TRP  51 -11.281  -1.695   5.099
  368    HZ3  TRP  51           HZ3      TRP  51 -10.243   0.539   1.627
  369    HH2  TRP  51           HH2      TRP  51 -11.822  -0.860   2.861
  370    H    ASP  52           HN       ASP  52  -8.563   3.762   4.269
  371    HA   ASP  52           HA       ASP  52  -8.552   5.078   6.805
  372    HB2  ASP  52           HB2      ASP  52  -9.534   6.198   4.915
  373    HB3  ASP  52           HB1      ASP  52 -10.621   4.847   4.615
  374    H    GLY  53           HN       GLY  53 -10.446   2.439   5.372
  375    HA2  GLY  53           HA2      GLY  53 -11.150   0.546   6.617
  376    HA3  GLY  53           HA1      GLY  53 -11.038   1.502   8.084
  377    H    GLU  54           HN       GLU  54 -12.537   3.713   7.448
  378    HA   GLU  54           HA       GLU  54 -15.185   2.634   7.760
  379    HB2  GLU  54           HB2      GLU  54 -14.449   4.571   9.064
  380    HB3  GLU  54           HB1      GLU  54 -14.201   5.489   7.586
  381    HG2  GLU  54           HG2      GLU  54 -16.245   6.195   8.576
  382    HG3  GLU  54           HG1      GLU  54 -16.624   5.283   7.115
  383    H    LYS  55           HN       LYS  55 -13.440   4.456   5.287
  384    HA   LYS  55           HA       LYS  55 -15.771   4.804   3.635
  385    HB2  LYS  55           HB2      LYS  55 -12.945   5.075   2.640
  386    HB3  LYS  55           HB1      LYS  55 -14.379   5.950   2.124
  387    HG2  LYS  55           HG2      LYS  55 -12.902   6.287   4.724
  388    HG3  LYS  55           HG1      LYS  55 -12.930   7.408   3.365
  389    HD2  LYS  55           HD2      LYS  55 -15.170   7.995   3.757
  390    HD3  LYS  55           HD1      LYS  55 -15.440   6.597   4.802
  391    HE2  LYS  55           HE2      LYS  55 -15.272   8.610   6.142
  392    HE3  LYS  55           HE1      LYS  55 -13.894   7.558   6.457
  393    HZ1  LYS  55           HZ1      LYS  55 -13.114   9.786   6.260
  394    HZ2  LYS  55           HZ2      LYS  55 -13.925  10.018   4.791
  395    HZ3  LYS  55           HZ3      LYS  55 -12.605   8.953   4.875
  396    H    GLU  56           HN       GLU  56 -13.759   2.232   4.251
  397    HA   GLU  56           HA       GLU  56 -13.323   0.219   3.329
  398    HB2  GLU  56           HB2      GLU  56 -15.954   0.773   1.965
  399    HB3  GLU  56           HB1      GLU  56 -15.143  -0.790   1.968
  400    HG2  GLU  56           HG2      GLU  56 -15.270  -0.804   4.437
  401    HG3  GLU  56           HG1      GLU  56 -16.184   0.701   4.365
  402    H    THR  57           HN       THR  57 -12.319   2.598   1.913
  403    HA   THR  57           HA       THR  57 -11.405   1.166  -0.429
  404    HB   THR  57           HB       THR  57 -13.359   2.483  -1.240
  405    HG1  THR  57           HG1      THR  57 -11.874   3.808  -2.783
  406   HG21  THR  57          HG21      THR  57 -11.699   4.873  -0.424
  407   HG22  THR  57          HG22      THR  57 -13.218   4.369   0.316
  408   HG23  THR  57          HG23      THR  57 -13.194   4.927  -1.356
  409    H    TYR  58           HN       TYR  58  -9.584   2.404  -1.463
  410    HA   TYR  58           HA       TYR  58  -7.818   3.309   0.656
  411    HB2  TYR  58           HB2      TYR  58  -7.272   2.721  -2.250
  412    HB3  TYR  58           HB1      TYR  58  -6.058   3.141  -1.046
  413    HD1  TYR  58           HD1      TYR  58  -5.987   1.601   1.072
  414    HD2  TYR  58           HD2      TYR  58  -7.735   0.480  -2.641
  415    HE1  TYR  58           HE1      TYR  58  -5.777  -0.767   1.698
  416    HE2  TYR  58           HE2      TYR  58  -7.524  -1.891  -2.032
  417    HH   TYR  58           HH       TYR  58  -6.132  -3.280  -0.529
  418    H    VAL  59           HN       VAL  59  -7.947   5.342   1.200
  419    HA   VAL  59           HA       VAL  59  -8.525   7.381  -0.794
  420    HB   VAL  59           HB       VAL  59  -8.466   8.953   1.168
  421   HG11  VAL  59          HG11      VAL  59 -10.587   8.168   2.128
  422   HG12  VAL  59          HG12      VAL  59 -10.336   6.594   1.370
  423   HG13  VAL  59          HG13      VAL  59 -10.561   8.030   0.370
  424   HG21  VAL  59          HG21      VAL  59  -6.973   7.666   2.615
  425   HG22  VAL  59          HG22      VAL  59  -8.203   6.409   2.772
  426   HG23  VAL  59          HG23      VAL  59  -8.502   8.021   3.422
  427    HA   PRO  60           HA       PRO  60  -4.249   8.175  -1.638
  428    HB2  PRO  60           HB2      PRO  60  -5.242  10.931  -2.156
  429    HB3  PRO  60           HB1      PRO  60  -4.293   9.864  -3.196
  430    HG2  PRO  60           HG2      PRO  60  -6.880  10.278  -3.675
  431    HG3  PRO  60           HG1      PRO  60  -6.157   8.673  -3.899
  432    HD2  PRO  60           HD2      PRO  60  -7.879   9.684  -1.671
  433    HD3  PRO  60           HD1      PRO  60  -7.851   8.084  -2.443
  434    H    ALA  61           HN       ALA  61  -2.674   8.658  -0.272
  435    HA   ALA  61           HA       ALA  61  -3.273  10.207   2.120
  436    HB1  ALA  61           HB1      ALA  61  -0.782   8.676   1.364
  437    HB2  ALA  61           HB2      ALA  61  -2.121   8.056   2.327
  438    HB3  ALA  61           HB3      ALA  61  -1.131   9.379   2.942
  439    H    ALA  62           HN       ALA  62  -3.142  11.626  -0.354
  440    HA   ALA  62           HA       ALA  62  -0.592  13.045  -0.333
  441    HB1  ALA  62           HB1      ALA  62  -1.391  14.109  -2.379
  442    HB2  ALA  62           HB2      ALA  62  -2.956  13.324  -2.189
  443    HB3  ALA  62           HB3      ALA  62  -1.516  12.355  -2.499
  444    H    GLU  63           HN       GLU  63  -1.567  13.596   1.971
  445    HA   GLU  63           HA       GLU  63  -3.523  15.621   2.162
  446    HB2  GLU  63           HB2      GLU  63  -2.774  14.164   4.047
  447    HB3  GLU  63           HB1      GLU  63  -1.252  15.043   4.075
  448    HG2  GLU  63           HG2      GLU  63  -2.779  15.817   5.809
  449    HG3  GLU  63           HG1      GLU  63  -2.413  17.093   4.649
  450    H    SER  64           HN       SER  64  -3.412  17.698   1.686
  451    HA   SER  64           HA       SER  64  -0.761  18.935   1.408
  452    HB2  SER  64           HB2      SER  64  -3.120  19.420  -0.429
  453    HB3  SER  64           HB1      SER  64  -1.484  20.055  -0.610
  454    HG   SER  64           HG       SER  64  -1.991  17.272  -0.523
  455    H1   GLY 100           HT1      GLY 100  12.116   9.842 -12.450
  456    H2   GLY 100           HT2      GLY 100  10.505   9.307 -12.408
  457    H3   GLY 100           HT3      GLY 100  11.327   9.399 -13.886
  458    HA2  GLY 100           HA1      GLY 100  12.795   7.644 -13.285
  459    HA3  GLY 100           HA2      GLY 100  12.122   7.613 -11.661
  460    H    MET 101           HN       MET 101   9.797   7.124 -11.500
  461    HA   MET 101           HA       MET 101   8.503   5.694 -13.638
  462    HB2  MET 101           HB2      MET 101   8.535   3.492 -12.585
  463    HB3  MET 101           HB1      MET 101  10.189   4.030 -12.841
  464    HG2  MET 101           HG2      MET 101  10.442   4.584 -10.532
  465    HG3  MET 101           HG1      MET 101   8.728   4.307 -10.221
  466    HE1  MET 101           HE1      MET 101  10.213   1.379  -8.213
  467    HE2  MET 101           HE2      MET 101   9.047   2.702  -8.240
  468    HE3  MET 101           HE3      MET 101  10.774   3.048  -8.317
  469    H    ARG 102           HN       ARG 102   6.826   4.119 -11.885
  470    HA   ARG 102           HA       ARG 102   5.057   5.803 -10.553
  471    HB2  ARG 102           HB2      ARG 102   4.425   3.773  -9.257
  472    HB3  ARG 102           HB1      ARG 102   4.629   3.406 -10.977
  473    HG2  ARG 102           HG2      ARG 102   6.987   2.681 -10.384
  474    HG3  ARG 102           HG1      ARG 102   6.475   2.791  -8.689
  475    HD2  ARG 102           HD2      ARG 102   6.258   0.514  -9.425
  476    HD3  ARG 102           HD1      ARG 102   4.651   1.196  -9.192
  477    HE   ARG 102           HE       ARG 102   5.228   1.559 -11.858
  478   HH11  ARG 102          HH11      ARG 102   5.045  -1.168  -9.674
  479   HH12  ARG 102          HH12      ARG 102   4.504  -2.276 -10.890
  480   HH21  ARG 102          HH21      ARG 102   4.527   0.085 -13.482
  481   HH22  ARG 102          HH22      ARG 102   4.206  -1.569 -13.045
  482    HA   PRO 103           HA       PRO 103   7.193   6.811  -6.677
  483    HB2  PRO 103           HB2      PRO 103   5.434   6.012  -4.748
  484    HB3  PRO 103           HB1      PRO 103   5.253   7.524  -5.654
  485    HG2  PRO 103           HG2      PRO 103   4.018   4.850  -6.116
  486    HG3  PRO 103           HG1      PRO 103   3.220   6.410  -6.065
  487    HD2  PRO 103           HD2      PRO 103   3.811   5.296  -8.415
  488    HD3  PRO 103           HD1      PRO 103   4.090   7.038  -8.190
  489    HA   PRO 104           HA       PRO 104   8.794   2.910  -5.116
  490    HB2  PRO 104           HB2      PRO 104  10.219   3.746  -3.108
  491    HB3  PRO 104           HB1      PRO 104  10.478   4.529  -4.678
  492    HG2  PRO 104           HG2      PRO 104   8.752   5.445  -2.391
  493    HG3  PRO 104           HG1      PRO 104   9.995   6.349  -3.242
  494    HD2  PRO 104           HD2      PRO 104   7.331   6.477  -3.854
  495    HD3  PRO 104           HD1      PRO 104   8.615   6.794  -5.027
  496    HA   PRO 105           HA       PRO 105   6.385   1.273  -1.735
  497    HB2  PRO 105           HB2      PRO 105   8.833   0.252  -0.422
  498    HB3  PRO 105           HB1      PRO 105   7.444  -0.642  -1.045
  499    HG2  PRO 105           HG2      PRO 105   9.842  -0.685  -2.268
  500    HG3  PRO 105           HG1      PRO 105   8.318  -0.783  -3.162
  501    HD2  PRO 105           HD2      PRO 105  10.165   1.534  -2.822
  502    HD3  PRO 105           HD1      PRO 105   9.209   1.049  -4.237
  503    HA   PRO 106           HA       PRO 106   6.266   4.404   1.201
  504    HB2  PRO 106           HB2      PRO 106   5.486   2.261   3.133
  505    HB3  PRO 106           HB1      PRO 106   4.671   3.782   2.750
  506    HG2  PRO 106           HG2      PRO 106   3.753   1.471   1.805
  507    HG3  PRO 106           HG1      PRO 106   3.720   2.943   0.815
  508    HD2  PRO 106           HD2      PRO 106   5.529   0.591   0.649
  509    HD3  PRO 106           HD1      PRO 106   4.911   1.636  -0.640
  510    H    GLY 107           HN       GLY 107   7.808   5.342   2.385
  511    HA2  GLY 107           HA2      GLY 107   9.282   5.055   4.414
  512    HA3  GLY 107           HA1      GLY 107   9.816   3.564   3.625
  513    H    ILE 108           HN       ILE 108  11.014   3.651   1.775
  514    HA   ILE 108           HA       ILE 108  13.080   4.228   1.034
  515    HB   ILE 108           HB       ILE 108  12.918   6.019  -0.709
  516   HG12  ILE 108          HG12      ILE 108  10.961   7.207   0.484
  517   HG13  ILE 108          HG11      ILE 108  10.897   7.070  -1.267
  518   HG21  ILE 108          HG21      ILE 108  10.711   4.323  -1.481
  519   HG22  ILE 108          HG22      ILE 108  11.965   3.417  -0.621
  520   HG23  ILE 108          HG23      ILE 108  12.384   4.350  -2.057
  521   HD11  ILE 108          HD11      ILE 108   9.449   5.009  -0.910
  522   HD12  ILE 108          HD12      ILE 108   8.733   6.580  -0.499
  523   HD13  ILE 108          HD13      ILE 108   9.339   5.528   0.783
  524    H    ARG 109           HN       ARG 109  13.328   4.914   3.435
  525    HA   ARG 109           HA       ARG 109  14.069   7.731   3.688
  526    HB2  ARG 109           HB2      ARG 109  13.844   5.474   5.686
  527    HB3  ARG 109           HB1      ARG 109  14.428   7.079   6.098
  528    HG2  ARG 109           HG2      ARG 109  12.342   8.052   5.795
  529    HG3  ARG 109           HG1      ARG 109  11.748   6.702   4.826
  530    HD2  ARG 109           HD2      ARG 109  12.451   6.499   7.750
  531    HD3  ARG 109           HD1      ARG 109  10.823   6.814   7.148
  532    HE   ARG 109           HE       ARG 109  12.319   4.367   6.436
  533   HH11  ARG 109          HH11      ARG 109   9.493   5.969   7.728
  534   HH12  ARG 109          HH12      ARG 109   8.463   4.576   7.561
  535   HH21  ARG 109          HH21      ARG 109  10.987   2.498   6.279
  536   HH22  ARG 109          HH22      ARG 109   9.314   2.590   6.745
  537    H    GLY 110           HN       GLY 110  16.062   7.489   5.595
  538    HA2  GLY 110           HA2      GLY 110  18.125   5.725   4.572
  539    HA3  GLY 110           HA1      GLY 110  18.427   7.448   4.373
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1 -25.393  -7.437   0.002
    2    H2   GLY   1           HT2      GLY   1 -24.203  -6.277   0.324
    3    H3   GLY   1           HT3      GLY   1 -24.967  -7.084   1.604
    4    HA2  GLY   1           HA1      GLY   1 -22.811  -8.024   1.328
    5    HA3  GLY   1           HA2      GLY   1 -24.018  -9.195   0.812
    6    H    ALA   2           HN       ALA   2 -21.346  -9.291   0.010
    7    HA   ALA   2           HA       ALA   2 -21.658  -9.001  -2.874
    8    HB1  ALA   2           HB1      ALA   2 -19.532  -7.873  -3.157
    9    HB2  ALA   2           HB2      ALA   2 -19.279  -7.857  -1.410
   10    HB3  ALA   2           HB3      ALA   2 -20.586  -6.908  -2.122
   11    H    MET   3           HN       MET   3 -20.789 -10.699  -3.934
   12    HA   MET   3           HA       MET   3 -19.683 -12.842  -2.371
   13    HB2  MET   3           HB2      MET   3 -21.223 -13.244  -4.273
   14    HB3  MET   3           HB1      MET   3 -20.000 -12.619  -5.372
   15    HG2  MET   3           HG2      MET   3 -18.495 -14.431  -4.733
   16    HG3  MET   3           HG1      MET   3 -19.713 -15.053  -3.623
   17    HE1  MET   3           HE1      MET   3 -19.711 -17.739  -6.456
   18    HE2  MET   3           HE2      MET   3 -19.553 -17.442  -4.724
   19    HE3  MET   3           HE3      MET   3 -18.319 -16.850  -5.836
   20    H    GLY   4           HN       GLY   4 -17.745 -12.103  -1.574
   21    HA2  GLY   4           HA2      GLY   4 -15.403 -12.197  -1.722
   22    HA3  GLY   4           HA1      GLY   4 -15.533 -12.092  -3.475
   23    H    THR   5           HN       THR   5 -14.290 -10.383  -3.939
   24    HA   THR   5           HA       THR   5 -13.443  -8.277  -3.975
   25    HB   THR   5           HB       THR   5 -15.201  -6.455  -4.039
   26    HG1  THR   5           HG1      THR   5 -16.665  -8.226  -2.787
   27   HG21  THR   5          HG21      THR   5 -15.621  -8.883  -5.785
   28   HG22  THR   5          HG22      THR   5 -14.440  -7.600  -6.051
   29   HG23  THR   5          HG23      THR   5 -16.166  -7.247  -6.152
   30    H    LYS   6           HN       LYS   6 -12.414  -8.782  -1.831
   31    HA   LYS   6           HA       LYS   6 -13.340  -6.827   0.170
   32    HB2  LYS   6           HB2      LYS   6 -12.686  -8.323   1.959
   33    HB3  LYS   6           HB1      LYS   6 -13.840  -9.135   0.912
   34    HG2  LYS   6           HG2      LYS   6 -12.120 -10.449  -0.093
   35    HG3  LYS   6           HG1      LYS   6 -10.861  -9.515   0.720
   36    HD2  LYS   6           HD2      LYS   6 -12.923 -11.254   2.076
   37    HD3  LYS   6           HD1      LYS   6 -11.230 -11.676   1.814
   38    HE2  LYS   6           HE2      LYS   6 -12.293  -9.417   3.509
   39    HE3  LYS   6           HE1      LYS   6 -11.539 -10.901   4.085
   40    HZ1  LYS   6           HZ1      LYS   6  -9.488 -10.203   2.923
   41    HZ2  LYS   6           HZ2      LYS   6  -9.951  -9.130   4.155
   42    HZ3  LYS   6           HZ3      LYS   6 -10.233  -8.735   2.538
   43    H    TYR   7           HN       TYR   7 -11.705  -5.815   1.393
   44    HA   TYR   7           HA       TYR   7  -8.949  -6.257   0.489
   45    HB2  TYR   7           HB2      TYR   7 -10.171  -3.503   0.817
   46    HB3  TYR   7           HB1      TYR   7  -8.527  -3.865   0.326
   47    HD1  TYR   7           HD1      TYR   7 -11.660  -2.881  -0.819
   48    HD2  TYR   7           HD2      TYR   7  -8.426  -5.454  -1.828
   49    HE1  TYR   7           HE1      TYR   7 -12.376  -2.852  -3.172
   50    HE2  TYR   7           HE2      TYR   7  -9.126  -5.430  -4.181
   51    HH   TYR   7           HH       TYR   7 -11.330  -3.199  -5.421
   52    H    ALA   8           HN       ALA   8 -10.437  -3.830   2.606
   53    HA   ALA   8           HA       ALA   8  -9.985  -3.159   4.706
   54    HB1  ALA   8           HB1      ALA   8 -11.444  -5.130   5.027
   55    HB2  ALA   8           HB2      ALA   8 -10.398  -4.769   6.400
   56    HB3  ALA   8           HB3      ALA   8  -9.998  -6.100   5.312
   57    H    VAL   9           HN       VAL   9  -8.609  -5.037   6.646
   58    HA   VAL   9           HA       VAL   9  -6.175  -3.700   6.698
   59    HB   VAL   9           HB       VAL   9  -5.642  -5.286   8.518
   60   HG11  VAL   9          HG11      VAL   9  -8.395  -4.096   8.622
   61   HG12  VAL   9          HG12      VAL   9  -6.886  -3.260   8.982
   62   HG13  VAL   9          HG13      VAL   9  -7.432  -4.575  10.020
   63   HG21  VAL   9          HG21      VAL   9  -7.348  -6.893   9.250
   64   HG22  VAL   9          HG22      VAL   9  -6.707  -7.290   7.654
   65   HG23  VAL   9          HG23      VAL   9  -8.289  -6.523   7.806
   66    HA   PRO  10           HA       PRO  10  -3.663  -6.190   4.114
   67    HB2  PRO  10           HB2      PRO  10  -1.264  -5.256   5.332
   68    HB3  PRO  10           HB1      PRO  10  -2.065  -4.621   3.896
   69    HG2  PRO  10           HG2      PRO  10  -1.813  -3.284   6.313
   70    HG3  PRO  10           HG1      PRO  10  -2.983  -2.894   5.041
   71    HD2  PRO  10           HD2      PRO  10  -3.367  -4.423   7.572
   72    HD3  PRO  10           HD1      PRO  10  -4.478  -3.315   6.736
   73    H    ASP  11           HN       ASP  11  -2.497  -8.074   4.042
   74    HA   ASP  11           HA       ASP  11  -1.387  -9.084   6.558
   75    HB2  ASP  11           HB2      ASP  11  -1.837 -11.336   5.813
   76    HB3  ASP  11           HB1      ASP  11  -3.333 -10.425   5.743
   77    H    THR  12           HN       THR  12   0.764  -9.387   6.521
   78    HA   THR  12           HA       THR  12   2.242  -8.459   4.283
   79    HB   THR  12           HB       THR  12   4.237  -9.248   5.638
   80    HG1  THR  12           HG1      THR  12   2.314  -9.623   7.700
   81   HG21  THR  12          HG21      THR  12   3.443  -6.951   5.737
   82   HG22  THR  12          HG22      THR  12   3.937  -7.488   7.342
   83   HG23  THR  12          HG23      THR  12   2.225  -7.402   6.930
   84    H    SER  13           HN       SER  13   0.850 -11.424   4.799
   85    HA   SER  13           HA       SER  13   2.922 -13.111   3.786
   86    HB2  SER  13           HB2      SER  13   0.686 -14.617   3.573
   87    HB3  SER  13           HB1      SER  13   1.573 -14.392   5.082
   88    HG   SER  13           HG       SER  13  -0.664 -12.855   4.202
   89    H    THR  14           HN       THR  14   0.399 -11.202   2.329
   90    HA   THR  14           HA       THR  14   0.465 -12.726  -0.142
   91    HB   THR  14           HB       THR  14  -1.066 -10.799  -0.930
   92    HG1  THR  14           HG1      THR  14  -1.706 -10.358   1.738
   93   HG21  THR  14          HG21      THR  14  -1.967 -12.540   1.369
   94   HG22  THR  14          HG22      THR  14  -1.848 -13.060  -0.314
   95   HG23  THR  14          HG23      THR  14  -3.002 -11.806   0.142
   96    H    TYR  15           HN       TYR  15   1.926  -9.870   1.174
   97    HA   TYR  15           HA       TYR  15   2.526  -8.682  -1.374
   98    HB2  TYR  15           HB2      TYR  15   3.526  -8.013   1.394
   99    HB3  TYR  15           HB1      TYR  15   3.801  -7.042  -0.045
  100    HD1  TYR  15           HD1      TYR  15   1.399  -7.995   2.519
  101    HD2  TYR  15           HD2      TYR  15   1.968  -5.778  -1.061
  102    HE1  TYR  15           HE1      TYR  15  -0.681  -6.769   2.960
  103    HE2  TYR  15           HE2      TYR  15  -0.116  -4.543  -0.635
  104    HH   TYR  15           HH       TYR  15  -2.249  -4.923   0.644
  105    H    GLN  16           HN       GLN  16   4.550  -8.397  -2.294
  106    HA   GLN  16           HA       GLN  16   6.603 -10.355  -1.639
  107    HB2  GLN  16           HB2      GLN  16   6.076  -9.968  -3.999
  108    HB3  GLN  16           HB1      GLN  16   6.417  -8.250  -3.822
  109    HG2  GLN  16           HG2      GLN  16   8.769  -8.975  -3.150
  110    HG3  GLN  16           HG1      GLN  16   8.335 -10.559  -3.792
  111   HE21  GLN  16          HE21      GLN  16   7.971 -10.784  -6.012
  112   HE22  GLN  16          HE22      GLN  16   8.518  -9.593  -7.149
  113    H    TYR  17           HN       TYR  17   8.641  -9.795  -0.852
  114    HA   TYR  17           HA       TYR  17   8.747  -7.179   0.440
  115    HB2  TYR  17           HB2      TYR  17   9.227  -9.221   1.764
  116    HB3  TYR  17           HB1      TYR  17  10.605  -9.552   0.723
  117    HD1  TYR  17           HD1      TYR  17   9.268  -7.261   3.290
  118    HD2  TYR  17           HD2      TYR  17  12.680  -8.398   1.015
  119    HE1  TYR  17           HE1      TYR  17  10.692  -5.892   4.754
  120    HE2  TYR  17           HE2      TYR  17  14.113  -7.033   2.473
  121    HH   TYR  17           HH       TYR  17  13.897  -5.097   3.978
  122    H    ASP  18           HN       ASP  18   9.585  -5.571  -0.730
  123    HA   ASP  18           HA       ASP  18  11.818  -6.075  -2.540
  124    HB2  ASP  18           HB2      ASP  18  10.261  -4.476  -3.405
  125    HB3  ASP  18           HB1      ASP  18  10.254  -3.571  -1.895
  126    H    GLU  19           HN       GLU  19  13.760  -6.188  -1.738
  127    HA   GLU  19           HA       GLU  19  14.382  -5.412   0.923
  128    HB2  GLU  19           HB2      GLU  19  15.405  -7.348  -0.213
  129    HB3  GLU  19           HB1      GLU  19  16.220  -6.256  -1.323
  130    HG2  GLU  19           HG2      GLU  19  17.509  -5.318   0.480
  131    HG3  GLU  19           HG1      GLU  19  16.627  -6.295   1.655
  132    H    SER  20           HN       SER  20  14.737  -3.885  -2.181
  133    HA   SER  20           HA       SER  20  16.826  -2.109  -1.691
  134    HB2  SER  20           HB2      SER  20  14.499  -1.219  -3.338
  135    HB3  SER  20           HB1      SER  20  16.225  -1.148  -3.702
  136    HG   SER  20           HG       SER  20  14.384  -3.151  -4.173
  137    H    SER  21           HN       SER  21  13.332  -1.635  -1.296
  138    HA   SER  21           HA       SER  21  13.769   0.855   0.184
  139    HB2  SER  21           HB2      SER  21  11.141  -0.487  -0.414
  140    HB3  SER  21           HB1      SER  21  11.465   1.226  -0.130
  141    HG   SER  21           HG       SER  21  12.133  -0.347  -2.396
  142    H    GLY  22           HN       GLY  22  12.785  -2.479   0.640
  143    HA2  GLY  22           HA2      GLY  22  13.042  -3.675   2.652
  144    HA3  GLY  22           HA1      GLY  22  13.086  -2.151   3.526
  145    H    TYR  23           HN       TYR  23  10.613  -2.857   1.150
  146    HA   TYR  23           HA       TYR  23   8.643  -3.072   3.323
  147    HB2  TYR  23           HB2      TYR  23   8.142  -1.290   0.950
  148    HB3  TYR  23           HB1      TYR  23   7.270  -1.352   2.478
  149    HD1  TYR  23           HD1      TYR  23   8.941  -0.897   4.593
  150    HD2  TYR  23           HD2      TYR  23   9.446   0.528   0.625
  151    HE1  TYR  23           HE1      TYR  23  10.371   0.915   5.434
  152    HE2  TYR  23           HE2      TYR  23  10.866   2.348   1.430
  153    HH   TYR  23           HH       TYR  23  12.188   2.354   4.561
  154    H    TYR  24           HN       TYR  24   6.349  -3.295   2.151
  155    HA   TYR  24           HA       TYR  24   6.714  -5.724   0.556
  156    HB2  TYR  24           HB2      TYR  24   4.464  -4.799   2.339
  157    HB3  TYR  24           HB1      TYR  24   4.380  -6.242   1.337
  158    HD1  TYR  24           HD1      TYR  24   5.900  -8.154   1.799
  159    HD2  TYR  24           HD2      TYR  24   5.662  -4.795   4.403
  160    HE1  TYR  24           HE1      TYR  24   6.972  -9.466   3.582
  161    HE2  TYR  24           HE2      TYR  24   6.734  -6.098   6.192
  162    HH   TYR  24           HH       TYR  24   8.236  -9.132   5.617
  163    H    TYR  25           HN       TYR  25   5.817  -6.019  -1.364
  164    HA   TYR  25           HA       TYR  25   3.868  -4.091  -2.424
  165    HB2  TYR  25           HB2      TYR  25   6.075  -3.429  -3.272
  166    HB3  TYR  25           HB1      TYR  25   6.389  -5.070  -3.803
  167    HD1  TYR  25           HD1      TYR  25   3.031  -4.377  -4.560
  168    HD2  TYR  25           HD2      TYR  25   6.982  -3.493  -5.866
  169    HE1  TYR  25           HE1      TYR  25   2.167  -3.818  -6.785
  170    HE2  TYR  25           HE2      TYR  25   6.110  -2.905  -8.100
  171    HH   TYR  25           HH       TYR  25   4.028  -3.568  -9.493
  172    H    ASP  26           HN       ASP  26   2.104  -5.262  -2.912
  173    HA   ASP  26           HA       ASP  26   2.350  -8.109  -3.494
  174    HB2  ASP  26           HB2      ASP  26   0.557  -7.366  -1.983
  175    HB3  ASP  26           HB1      ASP  26  -0.114  -6.361  -3.264
  176    HA   PRO  27           HA       PRO  27   2.730  -7.001  -7.795
  177    HB2  PRO  27           HB2      PRO  27   2.684  -9.906  -8.237
  178    HB3  PRO  27           HB1      PRO  27   3.956  -8.738  -8.594
  179    HG2  PRO  27           HG2      PRO  27   4.196 -10.526  -6.600
  180    HG3  PRO  27           HG1      PRO  27   4.879  -8.893  -6.486
  181    HD2  PRO  27           HD2      PRO  27   2.367  -9.988  -5.281
  182    HD3  PRO  27           HD1      PRO  27   3.574  -8.895  -4.569
  183    H    THR  28           HN       THR  28   0.336  -9.217  -6.512
  184    HA   THR  28           HA       THR  28  -1.146  -9.488  -8.933
  185    HB   THR  28           HB       THR  28  -2.920 -10.087  -6.902
  186    HG1  THR  28           HG1      THR  28  -1.311  -9.755  -5.307
  187   HG21  THR  28          HG21      THR  28  -2.326 -12.411  -7.376
  188   HG22  THR  28          HG22      THR  28  -0.832 -11.879  -8.150
  189   HG23  THR  28          HG23      THR  28  -2.392 -11.463  -8.862
  190    H    THR  29           HN       THR  29  -1.717  -7.629  -5.936
  191    HA   THR  29           HA       THR  29  -4.019  -6.331  -7.146
  192    HB   THR  29           HB       THR  29  -4.179  -5.147  -4.937
  193    HG1  THR  29           HG1      THR  29  -2.072  -6.938  -4.213
  194   HG21  THR  29          HG21      THR  29  -4.060  -8.166  -4.869
  195   HG22  THR  29          HG22      THR  29  -5.450  -7.182  -5.333
  196   HG23  THR  29          HG23      THR  29  -4.864  -7.150  -3.669
  197    H    GLY  30           HN       GLY  30  -0.675  -5.721  -6.695
  198    HA2  GLY  30           HA2      GLY  30   0.599  -4.007  -7.598
  199    HA3  GLY  30           HA1      GLY  30  -0.884  -3.227  -8.126
  200    H    LEU  31           HN       LEU  31  -0.437  -4.239  -4.830
  201    HA   LEU  31           HA       LEU  31  -0.501  -1.408  -4.073
  202    HB2  LEU  31           HB2      LEU  31  -1.498  -3.844  -2.614
  203    HB3  LEU  31           HB1      LEU  31  -1.423  -2.246  -1.896
  204    HG   LEU  31           HG       LEU  31  -3.105  -3.061  -4.269
  205   HD11  LEU  31          HD11      LEU  31  -3.953  -3.870  -2.127
  206   HD12  LEU  31          HD12      LEU  31  -4.984  -2.598  -2.783
  207   HD13  LEU  31          HD13      LEU  31  -3.862  -2.238  -1.470
  208   HD21  LEU  31          HD21      LEU  31  -2.858  -0.391  -2.888
  209   HD22  LEU  31          HD22      LEU  31  -4.018  -0.795  -4.154
  210   HD23  LEU  31          HD23      LEU  31  -2.292  -0.775  -4.514
  211    H    TYR  32           HN       TYR  32   1.104  -0.551  -3.063
  212    HA   TYR  32           HA       TYR  32   3.200  -2.162  -1.823
  213    HB2  TYR  32           HB2      TYR  32   2.897   0.835  -2.183
  214    HB3  TYR  32           HB1      TYR  32   4.282   0.059  -1.443
  215    HD1  TYR  32           HD1      TYR  32   2.477  -0.742  -4.640
  216    HD2  TYR  32           HD2      TYR  32   6.063   0.559  -2.788
  217    HE1  TYR  32           HE1      TYR  32   3.612  -0.749  -6.818
  218    HE2  TYR  32           HE2      TYR  32   7.208   0.561  -4.936
  219    HH   TYR  32           HH       TYR  32   7.006  -0.504  -7.120
  220    H    TYR  33           HN       TYR  33   3.486  -2.203   0.416
  221    HA   TYR  33           HA       TYR  33   1.859  -0.402   2.044
  222    HB2  TYR  33           HB2      TYR  33   0.433  -2.348   1.915
  223    HB3  TYR  33           HB1      TYR  33   1.782  -3.416   2.300
  224    HD1  TYR  33           HD1      TYR  33  -0.119  -0.537   3.727
  225    HD2  TYR  33           HD2      TYR  33   2.079  -4.096   4.518
  226    HE1  TYR  33           HE1      TYR  33  -0.661  -0.337   6.115
  227    HE2  TYR  33           HE2      TYR  33   1.536  -3.904   6.909
  228    HH   TYR  33           HH       TYR  33   0.881  -2.141   8.529
  229    H    ASP  34           HN       ASP  34   3.013   0.431   3.656
  230    HA   ASP  34           HA       ASP  34   5.186  -1.238   4.752
  231    HB2  ASP  34           HB2      ASP  34   6.345   0.486   3.642
  232    HB3  ASP  34           HB1      ASP  34   5.210   1.715   4.195
  233    HA   PRO  35           HA       PRO  35   2.757  -0.798   8.456
  234    HB2  PRO  35           HB2      PRO  35   5.057  -2.184   9.665
  235    HB3  PRO  35           HB1      PRO  35   3.366  -2.677   9.587
  236    HG2  PRO  35           HG2      PRO  35   5.255  -3.901   8.136
  237    HG3  PRO  35           HG1      PRO  35   3.609  -3.662   7.516
  238    HD2  PRO  35           HD2      PRO  35   6.105  -2.115   6.917
  239    HD3  PRO  35           HD1      PRO  35   4.820  -2.652   5.812
  240    H    ASN  36           HN       ASN  36   6.033   0.312   7.923
  241    HA   ASN  36           HA       ASN  36   6.333   1.370  10.596
  242    HB2  ASN  36           HB2      ASN  36   8.059   1.790   8.148
  243    HB3  ASN  36           HB1      ASN  36   8.483   2.251   9.794
  244   HD21  ASN  36          HD21      ASN  36   8.192  -0.320   7.514
  245   HD22  ASN  36          HD22      ASN  36   8.948  -1.544   8.487
  246    H    SER  37           HN       SER  37   5.918   2.809   7.349
  247    HA   SER  37           HA       SER  37   5.446   5.410   8.588
  248    HB2  SER  37           HB2      SER  37   5.646   4.565   5.693
  249    HB3  SER  37           HB1      SER  37   5.298   6.213   6.211
  250    HG   SER  37           HG       SER  37   7.664   4.696   6.619
  251    H    GLN  38           HN       GLN  38   3.742   2.732   7.501
  252    HA   GLN  38           HA       GLN  38   1.573   2.164   7.532
  253    HB2  GLN  38           HB2      GLN  38   1.367   4.683   9.168
  254    HB3  GLN  38           HB1      GLN  38   0.026   3.572   8.922
  255    HG2  GLN  38           HG2      GLN  38   1.425   1.770   9.912
  256    HG3  GLN  38           HG1      GLN  38   2.643   2.987  10.286
  257   HE21  GLN  38          HE21      GLN  38   2.226   4.507  11.889
  258   HE22  GLN  38          HE22      GLN  38   0.956   4.292  13.045
  259    H    TYR  39           HN       TYR  39   2.446   3.643   5.193
  260    HA   TYR  39           HA       TYR  39  -0.278   4.392   4.460
  261    HB2  TYR  39           HB2      TYR  39   0.444   6.025   2.836
  262    HB3  TYR  39           HB1      TYR  39   1.073   6.438   4.418
  263    HD1  TYR  39           HD1      TYR  39   1.846   5.549   0.987
  264    HD2  TYR  39           HD2      TYR  39   3.513   6.314   4.832
  265    HE1  TYR  39           HE1      TYR  39   4.038   5.961  -0.070
  266    HE2  TYR  39           HE2      TYR  39   5.707   6.724   3.802
  267    HH   TYR  39           HH       TYR  39   6.190   7.414   0.706
  268    H    TYR  40           HN       TYR  40  -0.812   4.126   2.248
  269    HA   TYR  40           HA       TYR  40   0.193   1.554   1.256
  270    HB2  TYR  40           HB2      TYR  40  -2.446   2.776   1.537
  271    HB3  TYR  40           HB1      TYR  40  -2.165   2.155  -0.083
  272    HD1  TYR  40           HD1      TYR  40  -2.634   1.282   3.436
  273    HD2  TYR  40           HD2      TYR  40  -1.872  -0.211  -0.472
  274    HE1  TYR  40           HE1      TYR  40  -3.253  -0.979   4.181
  275    HE2  TYR  40           HE2      TYR  40  -2.480  -2.473   0.264
  276    HH   TYR  40           HH       TYR  40  -2.623  -3.763   2.331
  277    H    TYR  41           HN       TYR  41  -0.171   1.354  -1.183
  278    HA   TYR  41           HA       TYR  41  -0.033   3.775  -2.715
  279    HB2  TYR  41           HB2      TYR  41   2.214   3.880  -2.154
  280    HB3  TYR  41           HB1      TYR  41   2.378   2.147  -2.020
  281    HD1  TYR  41           HD1      TYR  41   0.895   2.642  -5.100
  282    HD2  TYR  41           HD2      TYR  41   4.638   3.199  -3.158
  283    HE1  TYR  41           HE1      TYR  41   2.014   2.724  -7.265
  284    HE2  TYR  41           HE2      TYR  41   5.747   3.275  -5.315
  285    HH   TYR  41           HH       TYR  41   3.966   3.405  -8.273
  286    H    ASN  42           HN       ASN  42  -0.951   3.398  -4.687
  287    HA   ASN  42           HA       ASN  42  -1.155   0.591  -5.601
  288    HB2  ASN  42           HB2      ASN  42  -3.353   1.502  -5.142
  289    HB3  ASN  42           HB1      ASN  42  -2.999   2.932  -6.109
  290   HD21  ASN  42          HD21      ASN  42  -3.672  -0.497  -6.202
  291   HD22  ASN  42          HD22      ASN  42  -4.110  -0.558  -7.872
  292    H    SER  43           HN       SER  43   0.237   0.174  -7.219
  293    HA   SER  43           HA       SER  43   1.375   2.403  -8.692
  294    HB2  SER  43           HB2      SER  43   2.813   0.458  -9.648
  295    HB3  SER  43           HB1      SER  43   3.042   0.960  -7.963
  296    HG   SER  43           HG       SER  43   2.664  -1.435  -8.618
  297    H    LEU  44           HN       LEU  44  -1.278   0.530  -9.161
  298    HA   LEU  44           HA       LEU  44  -1.141   0.259 -12.004
  299    HB2  LEU  44           HB2      LEU  44  -3.415   0.193 -10.032
  300    HB3  LEU  44           HB1      LEU  44  -3.710   0.157 -11.757
  301    HG   LEU  44           HG       LEU  44  -2.369  -1.933 -11.906
  302   HD11  LEU  44          HD11      LEU  44  -2.354  -1.745  -8.900
  303   HD12  LEU  44          HD12      LEU  44  -0.952  -1.662  -9.969
  304   HD13  LEU  44          HD13      LEU  44  -1.877  -3.159  -9.840
  305   HD21  LEU  44          HD21      LEU  44  -4.051  -3.381 -10.876
  306   HD22  LEU  44          HD22      LEU  44  -4.788  -2.035 -11.743
  307   HD23  LEU  44          HD23      LEU  44  -4.689  -2.000  -9.984
  308    H    THR  45           HN       THR  45  -2.282   2.651  -9.730
  309    HA   THR  45           HA       THR  45  -2.789   4.523 -11.939
  310    HB   THR  45           HB       THR  45  -3.925   5.906 -10.184
  311    HG1  THR  45           HG1      THR  45  -3.846   3.598  -8.537
  312   HG21  THR  45          HG21      THR  45  -5.921   4.521 -10.020
  313   HG22  THR  45          HG22      THR  45  -4.979   3.086 -10.419
  314   HG23  THR  45          HG23      THR  45  -5.202   4.355 -11.624
  315    H    GLN  46           HN       GLN  46  -0.439   3.589  -9.906
  316    HA   GLN  46           HA       GLN  46   1.468   4.408  -9.027
  317    HB2  GLN  46           HB2      GLN  46   1.057   6.516 -11.143
  318    HB3  GLN  46           HB1      GLN  46   2.533   6.318 -10.205
  319    HG2  GLN  46           HG2      GLN  46   3.116   5.110 -12.014
  320    HG3  GLN  46           HG1      GLN  46   2.317   3.836 -11.099
  321   HE21  GLN  46          HE21      GLN  46   1.751   2.647 -12.908
  322   HE22  GLN  46          HE22      GLN  46   0.548   3.177 -14.034
  323    H    GLN  47           HN       GLN  47  -0.848   5.046  -7.650
  324    HA   GLN  47           HA       GLN  47  -0.246   7.734  -6.603
  325    HB2  GLN  47           HB2      GLN  47  -2.878   6.258  -6.755
  326    HB3  GLN  47           HB1      GLN  47  -2.644   7.731  -5.822
  327    HG2  GLN  47           HG2      GLN  47  -2.258   7.486  -8.800
  328    HG3  GLN  47           HG1      GLN  47  -3.698   8.125  -8.010
  329   HE21  GLN  47          HE21      GLN  47  -2.123   9.433  -5.914
  330   HE22  GLN  47          HE22      GLN  47  -1.410  10.819  -6.656
  331    H    TYR  48           HN       TYR  48   0.193   7.914  -4.472
  332    HA   TYR  48           HA       TYR  48   0.371   5.600  -2.800
  333    HB2  TYR  48           HB2      TYR  48   0.692   8.549  -2.361
  334    HB3  TYR  48           HB1      TYR  48   0.599   7.466  -0.985
  335    HD1  TYR  48           HD1      TYR  48   2.824   8.880  -0.802
  336    HD2  TYR  48           HD2      TYR  48   2.292   5.621  -3.486
  337    HE1  TYR  48           HE1      TYR  48   5.234   8.538  -0.862
  338    HE2  TYR  48           HE2      TYR  48   4.713   5.286  -3.588
  339    HH   TYR  48           HH       TYR  48   6.820   6.624  -1.364
  340    H    LEU  49           HN       LEU  49  -0.967   5.066  -1.037
  341    HA   LEU  49           HA       LEU  49  -3.570   6.434  -0.935
  342    HB2  LEU  49           HB2      LEU  49  -3.139   3.442  -0.893
  343    HB3  LEU  49           HB1      LEU  49  -4.672   4.246  -0.624
  344    HG   LEU  49           HG       LEU  49  -3.102   4.326  -3.180
  345   HD11  LEU  49          HD11      LEU  49  -4.817   2.899  -4.103
  346   HD12  LEU  49          HD12      LEU  49  -5.623   2.839  -2.537
  347   HD13  LEU  49          HD13      LEU  49  -4.026   2.117  -2.733
  348   HD21  LEU  49          HD21      LEU  49  -5.109   5.358  -4.128
  349   HD22  LEU  49          HD22      LEU  49  -4.403   6.348  -2.850
  350   HD23  LEU  49          HD23      LEU  49  -5.840   5.378  -2.522
  351    H    TYR  50           HN       TYR  50  -4.830   5.518   1.034
  352    HA   TYR  50           HA       TYR  50  -3.130   4.816   3.283
  353    HB2  TYR  50           HB2      TYR  50  -3.063   6.982   3.930
  354    HB3  TYR  50           HB1      TYR  50  -4.358   7.444   2.837
  355    HD1  TYR  50           HD1      TYR  50  -6.522   7.919   3.689
  356    HD2  TYR  50           HD2      TYR  50  -3.677   5.923   6.144
  357    HE1  TYR  50           HE1      TYR  50  -8.023   8.163   5.627
  358    HE2  TYR  50           HE2      TYR  50  -5.164   6.166   8.080
  359    HH   TYR  50           HH       TYR  50  -8.437   7.348   7.764
  360    H    TRP  51           HN       TRP  51  -4.130   3.401   4.612
  361    HA   TRP  51           HA       TRP  51  -6.729   2.457   3.808
  362    HB2  TRP  51           HB2      TRP  51  -5.117   0.764   4.378
  363    HB3  TRP  51           HB1      TRP  51  -4.811   1.509   5.928
  364    HD1  TRP  51           HD1      TRP  51  -5.800   0.011   7.788
  365    HE1  TRP  51           HE1      TRP  51  -7.988  -1.296   8.115
  366    HE3  TRP  51           HE3      TRP  51  -7.873   0.890   3.253
  367    HZ2  TRP  51           HZ2      TRP  51 -10.310  -1.887   6.592
  368    HZ3  TRP  51           HZ3      TRP  51 -10.045  -0.056   2.756
  369    HH2  TRP  51           HH2      TRP  51 -11.259  -1.424   4.375
  370    H    ASP  52           HN       ASP  52  -8.314   3.857   4.371
  371    HA   ASP  52           HA       ASP  52  -8.578   4.636   7.168
  372    HB2  ASP  52           HB2      ASP  52  -9.214   6.229   5.333
  373    HB3  ASP  52           HB1      ASP  52 -10.512   5.127   4.890
  374    H    GLY  53           HN       GLY  53  -9.491   3.296   8.553
  375    HA2  GLY  53           HA2      GLY  53 -10.389   0.748   7.739
  376    HA3  GLY  53           HA1      GLY  53 -10.479   1.398   9.367
  377    H    GLU  54           HN       GLU  54 -12.159   3.707   8.374
  378    HA   GLU  54           HA       GLU  54 -14.632   2.159   8.517
  379    HB2  GLU  54           HB2      GLU  54 -15.714   4.095   9.386
  380    HB3  GLU  54           HB1      GLU  54 -14.192   3.898  10.239
  381    HG2  GLU  54           HG2      GLU  54 -13.853   6.046   9.844
  382    HG3  GLU  54           HG1      GLU  54 -13.543   5.590   8.168
  383    H    LYS  55           HN       LYS  55 -12.859   4.144   6.294
  384    HA   LYS  55           HA       LYS  55 -15.126   4.536   4.534
  385    HB2  LYS  55           HB2      LYS  55 -12.181   4.656   3.838
  386    HB3  LYS  55           HB1      LYS  55 -13.507   5.257   2.859
  387    HG2  LYS  55           HG2      LYS  55 -12.724   6.332   5.554
  388    HG3  LYS  55           HG1      LYS  55 -12.256   7.027   4.005
  389    HD2  LYS  55           HD2      LYS  55 -14.612   7.418   3.474
  390    HD3  LYS  55           HD1      LYS  55 -15.077   6.724   5.031
  391    HE2  LYS  55           HE2      LYS  55 -13.399   9.193   4.589
  392    HE3  LYS  55           HE1      LYS  55 -15.063   9.144   5.174
  393    HZ1  LYS  55           HZ1      LYS  55 -12.704   7.995   6.570
  394    HZ2  LYS  55           HZ2      LYS  55 -14.305   7.951   7.129
  395    HZ3  LYS  55           HZ3      LYS  55 -13.496   9.435   6.988
  396    H    GLU  56           HN       GLU  56 -13.001   2.053   5.339
  397    HA   GLU  56           HA       GLU  56 -12.675  -0.077   4.669
  398    HB2  GLU  56           HB2      GLU  56 -15.263   0.189   3.151
  399    HB3  GLU  56           HB1      GLU  56 -14.536  -1.275   3.806
  400    HG2  GLU  56           HG2      GLU  56 -14.984  -0.593   6.040
  401    HG3  GLU  56           HG1      GLU  56 -15.485   1.011   5.508
  402    H    THR  57           HN       THR  57 -11.704   2.117   2.923
  403    HA   THR  57           HA       THR  57 -10.930   0.445   0.715
  404    HB   THR  57           HB       THR  57 -13.069   1.413  -0.098
  405    HG1  THR  57           HG1      THR  57 -12.221   1.552  -2.045
  406   HG21  THR  57          HG21      THR  57 -13.183   3.791  -0.663
  407   HG22  THR  57          HG22      THR  57 -11.622   4.053   0.113
  408   HG23  THR  57          HG23      THR  57 -13.012   3.554   1.077
  409    H    TYR  58           HN       TYR  58  -9.414   1.730  -0.759
  410    HA   TYR  58           HA       TYR  58  -7.501   3.046   1.023
  411    HB2  TYR  58           HB2      TYR  58  -7.105   1.923  -1.750
  412    HB3  TYR  58           HB1      TYR  58  -5.843   2.479  -0.653
  413    HD1  TYR  58           HD1      TYR  58  -5.785   1.273   1.686
  414    HD2  TYR  58           HD2      TYR  58  -7.615  -0.342  -1.801
  415    HE1  TYR  58           HE1      TYR  58  -5.592  -0.986   2.636
  416    HE2  TYR  58           HE2      TYR  58  -7.429  -2.602  -0.855
  417    HH   TYR  58           HH       TYR  58  -6.138  -3.824   0.783
  418    H    VAL  59           HN       VAL  59  -7.805   5.154   1.120
  419    HA   VAL  59           HA       VAL  59  -8.435   6.628  -1.348
  420    HB   VAL  59           HB       VAL  59  -9.209   8.448   0.122
  421   HG11  VAL  59          HG11      VAL  59 -10.818   6.782  -0.628
  422   HG12  VAL  59          HG12      VAL  59 -11.218   7.349   0.992
  423   HG13  VAL  59          HG13      VAL  59 -10.449   5.777   0.776
  424   HG21  VAL  59          HG21      VAL  59  -9.450   8.088   2.534
  425   HG22  VAL  59          HG22      VAL  59  -7.757   8.042   2.039
  426   HG23  VAL  59          HG23      VAL  59  -8.616   6.541   2.385
  427    HA   PRO  60           HA       PRO  60  -4.444   8.554  -1.408
  428    HB2  PRO  60           HB2      PRO  60  -5.193  11.115  -2.124
  429    HB3  PRO  60           HB1      PRO  60  -4.977   9.778  -3.256
  430    HG2  PRO  60           HG2      PRO  60  -7.486  10.862  -2.055
  431    HG3  PRO  60           HG1      PRO  60  -7.190  10.281  -3.704
  432    HD2  PRO  60           HD2      PRO  60  -8.490   8.789  -1.886
  433    HD3  PRO  60           HD1      PRO  60  -7.407   8.057  -3.090
  434    H    ALA  61           HN       ALA  61  -3.172   9.469   0.090
  435    HA   ALA  61           HA       ALA  61  -4.460  10.485   2.489
  436    HB1  ALA  61           HB1      ALA  61  -2.284  10.216   3.536
  437    HB2  ALA  61           HB2      ALA  61  -1.556   9.855   1.970
  438    HB3  ALA  61           HB3      ALA  61  -2.740   8.750   2.669
  439    H    ALA  62           HN       ALA  62  -2.170  11.567   0.024
  440    HA   ALA  62           HA       ALA  62  -1.247  13.594  -0.450
  441    HB1  ALA  62           HB1      ALA  62  -3.784  14.666   0.786
  442    HB2  ALA  62           HB2      ALA  62  -3.613  14.132  -0.885
  443    HB3  ALA  62           HB3      ALA  62  -2.705  15.530  -0.309
  444    H    GLU  63           HN       GLU  63   0.298  12.938   1.263
  445    HA   GLU  63           HA       GLU  63   0.145  13.769   3.916
  446    HB2  GLU  63           HB2      GLU  63   2.739  13.633   2.396
  447    HB3  GLU  63           HB1      GLU  63   2.456  13.291   4.095
  448    HG2  GLU  63           HG2      GLU  63   2.679  11.179   3.290
  449    HG3  GLU  63           HG1      GLU  63   0.935  11.383   3.119
  450    H    SER  64           HN       SER  64  -0.017  15.731   4.705
  451    HA   SER  64           HA       SER  64   1.679  17.852   3.613
  452    HB2  SER  64           HB2      SER  64  -1.223  18.262   4.377
  453    HB3  SER  64           HB1      SER  64  -0.129  19.462   3.690
  454    HG   SER  64           HG       SER  64  -0.318  17.179   2.189
  455    H1   GLY 100           HT1      GLY 100   9.933  10.473 -14.935
  456    H2   GLY 100           HT2      GLY 100  11.363   9.583 -15.118
  457    H3   GLY 100           HT3      GLY 100  11.356  10.985 -14.172
  458    HA2  GLY 100           HA1      GLY 100  11.349   8.964 -12.811
  459    HA3  GLY 100           HA2      GLY 100   9.934   9.971 -12.552
  460    H    MET 101           HN       MET 101   9.640   7.493 -11.743
  461    HA   MET 101           HA       MET 101   7.912   6.291 -13.809
  462    HB2  MET 101           HB2      MET 101   8.524   4.066 -13.069
  463    HB3  MET 101           HB1      MET 101   9.990   4.940 -13.481
  464    HG2  MET 101           HG2      MET 101  10.389   5.372 -11.096
  465    HG3  MET 101           HG1      MET 101   8.935   4.450 -10.690
  466    HE1  MET 101           HE1      MET 101  11.567   3.622 -13.540
  467    HE2  MET 101           HE2      MET 101  12.701   2.612 -12.644
  468    HE3  MET 101           HE3      MET 101  12.536   4.320 -12.242
  469    H    ARG 102           HN       ARG 102   6.805   4.311 -12.126
  470    HA   ARG 102           HA       ARG 102   4.974   5.546 -10.441
  471    HB2  ARG 102           HB2      ARG 102   4.654   3.339  -9.432
  472    HB3  ARG 102           HB1      ARG 102   4.908   3.146 -11.170
  473    HG2  ARG 102           HG2      ARG 102   7.330   2.682 -10.627
  474    HG3  ARG 102           HG1      ARG 102   6.832   2.631  -8.921
  475    HD2  ARG 102           HD2      ARG 102   6.933   0.390 -10.011
  476    HD3  ARG 102           HD1      ARG 102   5.347   0.800  -9.357
  477    HE   ARG 102           HE       ARG 102   5.508   1.535 -12.092
  478   HH11  ARG 102          HH11      ARG 102   5.237  -1.258 -10.004
  479   HH12  ARG 102          HH12      ARG 102   4.385  -2.219 -11.170
  480   HH21  ARG 102          HH21      ARG 102   4.332   0.288 -13.630
  481   HH22  ARG 102          HH22      ARG 102   3.855  -1.336 -13.217
  482    HA   PRO 103           HA       PRO 103   7.335   6.582  -6.736
  483    HB2  PRO 103           HB2      PRO 103   5.573   5.693  -4.828
  484    HB3  PRO 103           HB1      PRO 103   5.433   7.262  -5.637
  485    HG2  PRO 103           HG2      PRO 103   4.099   4.667  -6.219
  486    HG3  PRO 103           HG1      PRO 103   3.376   6.252  -6.127
  487    HD2  PRO 103           HD2      PRO 103   3.923   5.190  -8.502
  488    HD3  PRO 103           HD1      PRO 103   4.277   6.912  -8.221
  489    HA   PRO 104           HA       PRO 104   8.853   2.620  -5.192
  490    HB2  PRO 104           HB2      PRO 104  10.343   3.422  -3.202
  491    HB3  PRO 104           HB1      PRO 104  10.629   4.140  -4.796
  492    HG2  PRO 104           HG2      PRO 104   9.098   5.246  -2.474
  493    HG3  PRO 104           HG1      PRO 104  10.264   6.056  -3.506
  494    HD2  PRO 104           HD2      PRO 104   7.491   6.116  -3.810
  495    HD3  PRO 104           HD1      PRO 104   8.654   6.574  -5.056
  496    HA   PRO 105           HA       PRO 105   6.378   1.049  -1.832
  497    HB2  PRO 105           HB2      PRO 105   8.812   0.147  -0.394
  498    HB3  PRO 105           HB1      PRO 105   7.428  -0.794  -0.957
  499    HG2  PRO 105           HG2      PRO 105   9.813  -0.931  -2.176
  500    HG3  PRO 105           HG1      PRO 105   8.292  -1.044  -3.074
  501    HD2  PRO 105           HD2      PRO 105  10.181   1.252  -2.834
  502    HD3  PRO 105           HD1      PRO 105   9.225   0.720  -4.229
  503    HA   PRO 106           HA       PRO 106   6.111   4.418   0.834
  504    HB2  PRO 106           HB2      PRO 106   5.007   3.051   3.046
  505    HB3  PRO 106           HB1      PRO 106   4.123   3.843   1.740
  506    HG2  PRO 106           HG2      PRO 106   4.762   0.980   2.124
  507    HG3  PRO 106           HG1      PRO 106   3.379   1.730   1.309
  508    HD2  PRO 106           HD2      PRO 106   5.391   0.553  -0.037
  509    HD3  PRO 106           HD1      PRO 106   4.517   1.961  -0.675
  510    H    GLY 107           HN       GLY 107   7.534   5.407   2.097
  511    HA2  GLY 107           HA2      GLY 107   8.827   5.179   4.274
  512    HA3  GLY 107           HA1      GLY 107   9.434   3.680   3.561
  513    H    ILE 108           HN       ILE 108  10.953   3.706   2.037
  514    HA   ILE 108           HA       ILE 108  12.966   4.423   1.269
  515    HB   ILE 108           HB       ILE 108  12.730   5.827  -0.738
  516   HG12  ILE 108          HG12      ILE 108  10.744   7.179   0.288
  517   HG13  ILE 108          HG11      ILE 108  10.758   6.844  -1.439
  518   HG21  ILE 108          HG21      ILE 108  10.831   4.223  -1.733
  519   HG22  ILE 108          HG22      ILE 108  11.131   3.406  -0.191
  520   HG23  ILE 108          HG23      ILE 108  12.458   3.664  -1.321
  521   HD11  ILE 108          HD11      ILE 108   9.278   4.852  -0.934
  522   HD12  ILE 108          HD12      ILE 108   8.560   6.455  -0.704
  523   HD13  ILE 108          HD13      ILE 108   9.107   5.526   0.695
  524    H    ARG 109           HN       ARG 109  13.050   5.426   3.577
  525    HA   ARG 109           HA       ARG 109  13.021   8.320   3.626
  526    HB2  ARG 109           HB2      ARG 109  13.650   6.322   5.806
  527    HB3  ARG 109           HB1      ARG 109  13.428   8.052   6.033
  528    HG2  ARG 109           HG2      ARG 109  11.116   7.882   5.351
  529    HG3  ARG 109           HG1      ARG 109  11.319   6.166   4.998
  530    HD2  ARG 109           HD2      ARG 109  11.609   7.465   7.701
  531    HD3  ARG 109           HD1      ARG 109  10.227   6.518   7.154
  532    HE   ARG 109           HE       ARG 109  12.529   4.950   6.881
  533   HH11  ARG 109          HH11      ARG 109  10.545   6.349   9.391
  534   HH12  ARG 109          HH12      ARG 109  10.941   5.135  10.566
  535   HH21  ARG 109          HH21      ARG 109  13.062   3.347   8.398
  536   HH22  ARG 109          HH22      ARG 109  12.412   3.440  10.015
  537    H    GLY 110           HN       GLY 110  14.874   7.816   1.893
  538    HA2  GLY 110           HA2      GLY 110  17.408   8.166   3.368
  539    HA3  GLY 110           HA1      GLY 110  17.308   7.469   1.752
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1  -2.430 -18.643 -10.806
    2    H2   GLY   1           HT2      GLY   1  -3.535 -17.439 -10.355
    3    H3   GLY   1           HT3      GLY   1  -4.092 -18.974 -10.814
    4    HA2  GLY   1           HA1      GLY   1  -3.106 -19.978  -8.882
    5    HA3  GLY   1           HA2      GLY   1  -2.416 -18.426  -8.424
    6    H    ALA   2           HN       ALA   2  -3.592 -18.798  -6.390
    7    HA   ALA   2           HA       ALA   2  -6.472 -18.656  -6.473
    8    HB1  ALA   2           HB1      ALA   2  -6.343 -18.572  -4.041
    9    HB2  ALA   2           HB2      ALA   2  -4.597 -18.360  -4.128
   10    HB3  ALA   2           HB3      ALA   2  -5.330 -19.868  -4.674
   11    H    MET   3           HN       MET   3  -6.838 -16.763  -7.644
   12    HA   MET   3           HA       MET   3  -5.701 -14.250  -7.016
   13    HB2  MET   3           HB2      MET   3  -6.686 -14.788  -9.213
   14    HB3  MET   3           HB1      MET   3  -8.278 -14.876  -8.472
   15    HG2  MET   3           HG2      MET   3  -8.054 -12.495  -7.828
   16    HG3  MET   3           HG1      MET   3  -6.530 -12.439  -8.709
   17    HE1  MET   3           HE1      MET   3 -10.648 -13.166 -10.674
   18    HE2  MET   3           HE2      MET   3 -10.407 -12.906  -8.949
   19    HE3  MET   3           HE3      MET   3  -9.835 -14.392  -9.702
   20    H    GLY   4           HN       GLY   4  -5.931 -13.873  -4.818
   21    HA2  GLY   4           HA2      GLY   4  -8.508 -13.870  -3.552
   22    HA3  GLY   4           HA1      GLY   4  -6.999 -13.301  -2.855
   23    H    THR   5           HN       THR   5  -9.708 -12.456  -4.902
   24    HA   THR   5           HA       THR   5  -9.033  -9.761  -5.349
   25    HB   THR   5           HB       THR   5 -10.730 -10.731  -6.713
   26    HG1  THR   5           HG1      THR   5 -11.332  -8.678  -6.597
   27   HG21  THR   5          HG21      THR   5 -11.569 -12.437  -5.217
   28   HG22  THR   5          HG22      THR   5 -12.909 -11.467  -5.827
   29   HG23  THR   5          HG23      THR   5 -12.306 -11.211  -4.189
   30    H    LYS   6           HN       LYS   6  -8.907  -8.124  -3.977
   31    HA   LYS   6           HA       LYS   6 -10.471  -8.135  -1.498
   32    HB2  LYS   6           HB2      LYS   6  -7.469  -7.794  -1.637
   33    HB3  LYS   6           HB1      LYS   6  -8.447  -7.562  -0.198
   34    HG2  LYS   6           HG2      LYS   6  -8.973  -9.882  -0.089
   35    HG3  LYS   6           HG1      LYS   6  -8.243 -10.176  -1.672
   36    HD2  LYS   6           HD2      LYS   6  -6.761 -10.873   0.155
   37    HD3  LYS   6           HD1      LYS   6  -6.056  -9.564  -0.795
   38    HE2  LYS   6           HE2      LYS   6  -5.653  -9.029   1.469
   39    HE3  LYS   6           HE1      LYS   6  -6.964  -7.977   0.941
   40    HZ1  LYS   6           HZ1      LYS   6  -7.157 -10.414   2.613
   41    HZ2  LYS   6           HZ2      LYS   6  -8.515  -9.651   1.938
   42    HZ3  LYS   6           HZ3      LYS   6  -7.546  -8.823   3.057
   43    H    TYR   7           HN       TYR   7 -10.602  -6.036  -0.493
   44    HA   TYR   7           HA       TYR   7  -9.086  -3.845  -1.595
   45    HB2  TYR   7           HB2      TYR   7 -11.557  -4.285  -2.749
   46    HB3  TYR   7           HB1      TYR   7 -11.912  -3.091  -1.517
   47    HD1  TYR   7           HD1      TYR   7 -11.687  -0.865  -2.052
   48    HD2  TYR   7           HD2      TYR   7  -9.417  -3.729  -4.230
   49    HE1  TYR   7           HE1      TYR   7 -10.854   0.926  -3.514
   50    HE2  TYR   7           HE2      TYR   7  -8.572  -1.949  -5.701
   51    HH   TYR   7           HH       TYR   7  -9.172   0.271  -6.438
   52    H    ALA   8           HN       ALA   8  -9.456  -5.298   0.933
   53    HA   ALA   8           HA       ALA   8 -10.034  -2.951   2.588
   54    HB1  ALA   8           HB1      ALA   8 -10.941  -5.742   3.279
   55    HB2  ALA   8           HB2      ALA   8 -11.983  -4.433   2.717
   56    HB3  ALA   8           HB3      ALA   8 -11.148  -4.293   4.265
   57    H    VAL   9           HN       VAL   9  -9.570  -5.346   4.708
   58    HA   VAL   9           HA       VAL   9  -6.941  -4.530   5.348
   59    HB   VAL   9           HB       VAL   9  -8.431  -6.964   6.351
   60   HG11  VAL   9          HG11      VAL   9  -6.034  -7.062   6.812
   61   HG12  VAL   9          HG12      VAL   9  -6.954  -6.809   8.296
   62   HG13  VAL   9          HG13      VAL   9  -6.103  -5.459   7.545
   63   HG21  VAL   9          HG21      VAL   9  -8.318  -4.167   7.476
   64   HG22  VAL   9          HG22      VAL   9  -9.083  -5.557   8.250
   65   HG23  VAL   9          HG23      VAL   9  -9.720  -4.934   6.727
   66    HA   PRO  10           HA       PRO  10  -5.019  -7.194   2.324
   67    HB2  PRO  10           HB2      PRO  10  -2.499  -6.140   3.353
   68    HB3  PRO  10           HB1      PRO  10  -3.235  -5.919   1.765
   69    HG2  PRO  10           HG2      PRO  10  -3.036  -3.912   3.555
   70    HG3  PRO  10           HG1      PRO  10  -4.392  -4.037   2.418
   71    HD2  PRO  10           HD2      PRO  10  -4.275  -4.805   5.317
   72    HD3  PRO  10           HD1      PRO  10  -5.559  -3.954   4.427
   73    H    ASP  11           HN       ASP  11  -3.817  -9.081   2.289
   74    HA   ASP  11           HA       ASP  11  -3.246 -10.303   4.870
   75    HB2  ASP  11           HB2      ASP  11  -3.307 -11.393   2.054
   76    HB3  ASP  11           HB1      ASP  11  -2.740 -12.340   3.422
   77    H    THR  12           HN       THR  12  -1.297 -10.239   5.715
   78    HA   THR  12           HA       THR  12   0.801  -8.825   4.488
   79    HB   THR  12           HB       THR  12   2.118  -9.785   6.505
   80    HG1  THR  12           HG1      THR  12   0.870 -10.791   8.051
   81   HG21  THR  12          HG21      THR  12  -0.373  -8.118   6.909
   82   HG22  THR  12          HG22      THR  12   1.209  -7.514   6.416
   83   HG23  THR  12          HG23      THR  12   0.991  -8.209   8.024
   84    H    SER  13           HN       SER  13   0.031 -12.208   4.557
   85    HA   SER  13           HA       SER  13   2.672 -13.088   3.836
   86    HB2  SER  13           HB2      SER  13   1.454 -15.299   3.523
   87    HB3  SER  13           HB1      SER  13   1.384 -14.596   5.139
   88    HG   SER  13           HG       SER  13  -0.681 -15.169   4.659
   89    H    THR  14           HN       THR  14   0.071 -11.742   2.158
   90    HA   THR  14           HA       THR  14   0.500 -13.144  -0.329
   91    HB   THR  14           HB       THR  14  -1.092 -10.622   0.190
   92    HG1  THR  14           HG1      THR  14  -1.590 -13.325   0.685
   93   HG21  THR  14          HG21      THR  14  -0.618 -11.028  -2.184
   94   HG22  THR  14          HG22      THR  14  -2.329 -11.261  -1.821
   95   HG23  THR  14          HG23      THR  14  -1.274 -12.657  -2.036
   96    H    TYR  15           HN       TYR  15   1.740 -10.362   1.272
   97    HA   TYR  15           HA       TYR  15   2.638  -8.968  -1.061
   98    HB2  TYR  15           HB2      TYR  15   3.259  -8.706   1.867
   99    HB3  TYR  15           HB1      TYR  15   4.080  -7.735   0.655
  100    HD1  TYR  15           HD1      TYR  15   1.179  -8.055   2.733
  101    HD2  TYR  15           HD2      TYR  15   2.650  -6.264  -0.843
  102    HE1  TYR  15           HE1      TYR  15  -0.686  -6.450   2.760
  103    HE2  TYR  15           HE2      TYR  15   0.798  -4.651  -0.808
  104    HH   TYR  15           HH       TYR  15  -1.205  -4.216   1.896
  105    H    GLN  16           HN       GLN  16   4.662  -8.790  -1.876
  106    HA   GLN  16           HA       GLN  16   6.647 -10.804  -1.100
  107    HB2  GLN  16           HB2      GLN  16   6.619  -8.935  -3.483
  108    HB3  GLN  16           HB1      GLN  16   7.732 -10.270  -3.218
  109    HG2  GLN  16           HG2      GLN  16   5.918 -11.862  -3.421
  110    HG3  GLN  16           HG1      GLN  16   4.757 -10.548  -3.601
  111   HE21  GLN  16          HE21      GLN  16   5.322 -12.733  -5.408
  112   HE22  GLN  16          HE22      GLN  16   5.818 -12.018  -6.906
  113    H    TYR  17           HN       TYR  17   8.976  -9.903  -1.112
  114    HA   TYR  17           HA       TYR  17   8.854  -7.423   0.477
  115    HB2  TYR  17           HB2      TYR  17   9.597  -9.602   1.573
  116    HB3  TYR  17           HB1      TYR  17  11.037  -9.508   0.571
  117    HD1  TYR  17           HD1      TYR  17   9.218  -7.995   3.370
  118    HD2  TYR  17           HD2      TYR  17  12.795  -7.924   1.072
  119    HE1  TYR  17           HE1      TYR  17  10.287  -6.607   5.093
  120    HE2  TYR  17           HE2      TYR  17  13.879  -6.530   2.787
  121    HH   TYR  17           HH       TYR  17  13.221  -4.975   4.606
  122    H    ASP  18           HN       ASP  18   9.356  -5.764  -0.849
  123    HA   ASP  18           HA       ASP  18  11.409  -5.999  -2.863
  124    HB2  ASP  18           HB2      ASP  18   9.600  -4.459  -3.320
  125    HB3  ASP  18           HB1      ASP  18   9.912  -3.579  -1.824
  126    H    GLU  19           HN       GLU  19  13.370  -6.331  -2.109
  127    HA   GLU  19           HA       GLU  19  14.319  -5.374   0.382
  128    HB2  GLU  19           HB2      GLU  19  15.071  -7.457  -0.778
  129    HB3  GLU  19           HB1      GLU  19  15.923  -6.451  -1.941
  130    HG2  GLU  19           HG2      GLU  19  17.394  -5.629  -0.251
  131    HG3  GLU  19           HG1      GLU  19  16.460  -6.424   1.018
  132    H    SER  20           HN       SER  20  14.121  -3.916  -2.697
  133    HA   SER  20           HA       SER  20  16.377  -2.242  -2.690
  134    HB2  SER  20           HB2      SER  20  13.745  -1.356  -3.828
  135    HB3  SER  20           HB1      SER  20  15.366  -1.179  -4.502
  136    HG   SER  20           HG       SER  20  13.559  -3.197  -4.811
  137    H    SER  21           HN       SER  21  13.057  -1.686  -1.588
  138    HA   SER  21           HA       SER  21  13.897   0.759  -0.183
  139    HB2  SER  21           HB2      SER  21  11.106  -0.306  -0.539
  140    HB3  SER  21           HB1      SER  21  11.611   1.351  -0.188
  141    HG   SER  21           HG       SER  21  11.824  -0.099  -2.596
  142    H    GLY  22           HN       GLY  22  12.659  -2.483   0.300
  143    HA2  GLY  22           HA2      GLY  22  13.138  -3.757   2.240
  144    HA3  GLY  22           HA1      GLY  22  13.309  -2.262   3.149
  145    H    TYR  23           HN       TYR  23  10.601  -2.930   1.018
  146    HA   TYR  23           HA       TYR  23   8.836  -3.130   3.375
  147    HB2  TYR  23           HB2      TYR  23   8.155  -1.349   1.039
  148    HB3  TYR  23           HB1      TYR  23   7.405  -1.401   2.631
  149    HD1  TYR  23           HD1      TYR  23   9.194  -0.921   4.620
  150    HD2  TYR  23           HD2      TYR  23   9.507   0.435   0.603
  151    HE1  TYR  23           HE1      TYR  23  10.712   0.871   5.348
  152    HE2  TYR  23           HE2      TYR  23  11.015   2.241   1.307
  153    HH   TYR  23           HH       TYR  23  12.432   2.294   4.430
  154    H    TYR  24           HN       TYR  24   6.449  -3.421   2.424
  155    HA   TYR  24           HA       TYR  24   6.714  -5.906   0.933
  156    HB2  TYR  24           HB2      TYR  24   4.462  -4.737   2.555
  157    HB3  TYR  24           HB1      TYR  24   4.317  -6.235   1.641
  158    HD1  TYR  24           HD1      TYR  24   6.041  -8.088   2.168
  159    HD2  TYR  24           HD2      TYR  24   5.269  -4.791   4.747
  160    HE1  TYR  24           HE1      TYR  24   6.990  -9.348   4.051
  161    HE2  TYR  24           HE2      TYR  24   6.221  -6.045   6.639
  162    HH   TYR  24           HH       TYR  24   6.555  -8.492   7.244
  163    H    TYR  25           HN       TYR  25   5.869  -6.344  -0.973
  164    HA   TYR  25           HA       TYR  25   4.293  -4.263  -2.347
  165    HB2  TYR  25           HB2      TYR  25   6.527  -4.260  -3.289
  166    HB3  TYR  25           HB1      TYR  25   6.506  -6.012  -3.451
  167    HD1  TYR  25           HD1      TYR  25   4.918  -7.050  -5.109
  168    HD2  TYR  25           HD2      TYR  25   5.683  -2.874  -5.009
  169    HE1  TYR  25           HE1      TYR  25   4.033  -6.845  -7.375
  170    HE2  TYR  25           HE2      TYR  25   4.797  -2.639  -7.296
  171    HH   TYR  25           HH       TYR  25   2.974  -4.995  -8.795
  172    H    ASP  26           HN       ASP  26   2.390  -4.957  -3.128
  173    HA   ASP  26           HA       ASP  26   1.792  -7.814  -2.993
  174    HB2  ASP  26           HB2      ASP  26   0.085  -6.672  -1.925
  175    HB3  ASP  26           HB1      ASP  26   0.138  -5.325  -3.057
  176    HA   PRO  27           HA       PRO  27   2.302  -8.146  -7.393
  177    HB2  PRO  27           HB2      PRO  27   1.537 -10.744  -7.565
  178    HB3  PRO  27           HB1      PRO  27   3.134 -10.238  -6.998
  179    HG2  PRO  27           HG2      PRO  27   0.732 -11.062  -5.415
  180    HG3  PRO  27           HG1      PRO  27   2.437 -11.474  -5.159
  181    HD2  PRO  27           HD2      PRO  27   1.155  -9.549  -3.731
  182    HD3  PRO  27           HD1      PRO  27   2.891  -9.478  -4.099
  183    H    THR  28           HN       THR  28  -0.702  -8.836  -5.659
  184    HA   THR  28           HA       THR  28  -2.144  -9.548  -8.028
  185    HB   THR  28           HB       THR  28  -4.128  -9.635  -6.622
  186    HG1  THR  28           HG1      THR  28  -2.468  -8.672  -4.494
  187   HG21  THR  28          HG21      THR  28  -1.696 -10.826  -5.296
  188   HG22  THR  28          HG22      THR  28  -2.654 -11.559  -6.583
  189   HG23  THR  28          HG23      THR  28  -3.363 -11.312  -4.987
  190    H    THR  29           HN       THR  29  -2.410  -6.751  -5.825
  191    HA   THR  29           HA       THR  29  -3.985  -5.378  -7.890
  192    HB   THR  29           HB       THR  29  -3.727  -4.576  -5.010
  193    HG1  THR  29           HG1      THR  29  -4.526  -6.733  -5.138
  194   HG21  THR  29          HG21      THR  29  -4.663  -2.901  -6.537
  195   HG22  THR  29          HG22      THR  29  -5.894  -3.501  -5.426
  196   HG23  THR  29          HG23      THR  29  -5.856  -4.074  -7.094
  197    H    GLY  30           HN       GLY  30  -0.951  -5.383  -6.313
  198    HA2  GLY  30           HA2      GLY  30   0.910  -4.153  -7.078
  199    HA3  GLY  30           HA1      GLY  30  -0.184  -2.998  -7.826
  200    H    LEU  31           HN       LEU  31  -0.614  -4.078  -4.552
  201    HA   LEU  31           HA       LEU  31  -0.469  -1.334  -3.655
  202    HB2  LEU  31           HB2      LEU  31  -1.659  -3.817  -2.700
  203    HB3  LEU  31           HB1      LEU  31  -0.922  -2.875  -1.419
  204    HG   LEU  31           HG       LEU  31  -2.298  -0.936  -2.054
  205   HD11  LEU  31          HD11      LEU  31  -4.141  -1.219  -3.628
  206   HD12  LEU  31          HD12      LEU  31  -3.558  -2.837  -4.022
  207   HD13  LEU  31          HD13      LEU  31  -2.579  -1.423  -4.417
  208   HD21  LEU  31          HD21      LEU  31  -3.078  -2.475  -0.338
  209   HD22  LEU  31          HD22      LEU  31  -3.867  -3.462  -1.570
  210   HD23  LEU  31          HD23      LEU  31  -4.429  -1.818  -1.263
  211    H    TYR  32           HN       TYR  32   1.069  -0.424  -2.558
  212    HA   TYR  32           HA       TYR  32   3.365  -1.978  -1.612
  213    HB2  TYR  32           HB2      TYR  32   2.892   0.989  -1.990
  214    HB3  TYR  32           HB1      TYR  32   4.345   0.327  -1.260
  215    HD1  TYR  32           HD1      TYR  32   2.549  -1.070  -4.149
  216    HD2  TYR  32           HD2      TYR  32   5.981   1.053  -2.849
  217    HE1  TYR  32           HE1      TYR  32   3.492  -1.305  -6.379
  218    HE2  TYR  32           HE2      TYR  32   6.959   0.837  -5.091
  219    HH   TYR  32           HH       TYR  32   6.782  -0.453  -7.062
  220    H    TYR  33           HN       TYR  33   3.859  -2.091   0.595
  221    HA   TYR  33           HA       TYR  33   2.169  -0.534   2.419
  222    HB2  TYR  33           HB2      TYR  33   0.988  -2.620   2.244
  223    HB3  TYR  33           HB1      TYR  33   2.467  -3.540   2.475
  224    HD1  TYR  33           HD1      TYR  33   1.113  -0.631   4.385
  225    HD2  TYR  33           HD2      TYR  33   2.164  -4.751   4.453
  226    HE1  TYR  33           HE1      TYR  33   0.681  -0.693   6.800
  227    HE2  TYR  33           HE2      TYR  33   1.737  -4.825   6.870
  228    HH   TYR  33           HH       TYR  33   0.365  -2.056   8.579
  229    H    ASP  34           HN       ASP  34   3.400   0.487   3.836
  230    HA   ASP  34           HA       ASP  34   5.649  -1.032   4.986
  231    HB2  ASP  34           HB2      ASP  34   6.665   0.811   3.873
  232    HB3  ASP  34           HB1      ASP  34   5.464   1.936   4.500
  233    HA   PRO  35           HA       PRO  35   2.995  -0.778   8.497
  234    HB2  PRO  35           HB2      PRO  35   4.728  -2.124  10.153
  235    HB3  PRO  35           HB1      PRO  35   3.543  -2.885   9.099
  236    HG2  PRO  35           HG2      PRO  35   6.462  -2.649   8.807
  237    HG3  PRO  35           HG1      PRO  35   5.357  -3.857   8.139
  238    HD2  PRO  35           HD2      PRO  35   6.522  -1.748   6.753
  239    HD3  PRO  35           HD1      PRO  35   5.133  -2.700   6.203
  240    H    ASN  36           HN       ASN  36   6.219   0.450   8.195
  241    HA   ASN  36           HA       ASN  36   6.375   1.518  10.871
  242    HB2  ASN  36           HB2      ASN  36   8.096   2.062   8.444
  243    HB3  ASN  36           HB1      ASN  36   8.462   2.584  10.085
  244   HD21  ASN  36          HD21      ASN  36   8.404  -0.030   7.844
  245   HD22  ASN  36          HD22      ASN  36   9.246  -1.180   8.843
  246    H    SER  37           HN       SER  37   5.850   2.895   7.622
  247    HA   SER  37           HA       SER  37   5.445   5.531   8.798
  248    HB2  SER  37           HB2      SER  37   5.215   4.792   5.883
  249    HB3  SER  37           HB1      SER  37   5.535   6.381   6.578
  250    HG   SER  37           HG       SER  37   7.234   4.126   6.418
  251    H    GLN  38           HN       GLN  38   3.634   2.848   7.939
  252    HA   GLN  38           HA       GLN  38   1.438   2.351   8.043
  253    HB2  GLN  38           HB2      GLN  38   1.297   5.076   9.311
  254    HB3  GLN  38           HB1      GLN  38  -0.109   4.042   9.123
  255    HG2  GLN  38           HG2      GLN  38   1.140   2.297  10.435
  256    HG3  GLN  38           HG1      GLN  38   2.350   3.535  10.773
  257   HE21  GLN  38          HE21      GLN  38   1.942   3.493  12.987
  258   HE22  GLN  38          HE22      GLN  38   0.500   4.176  13.663
  259    H    TYR  39           HN       TYR  39   2.477   3.602   5.568
  260    HA   TYR  39           HA       TYR  39  -0.200   4.238   4.600
  261    HB2  TYR  39           HB2      TYR  39   0.480   5.977   3.141
  262    HB3  TYR  39           HB1      TYR  39   1.141   6.353   4.718
  263    HD1  TYR  39           HD1      TYR  39   1.882   5.445   1.261
  264    HD2  TYR  39           HD2      TYR  39   3.555   6.377   5.060
  265    HE1  TYR  39           HE1      TYR  39   4.055   5.866   0.179
  266    HE2  TYR  39           HE2      TYR  39   5.737   6.793   4.004
  267    HH   TYR  39           HH       TYR  39   6.132   7.012   0.589
  268    H    TYR  40           HN       TYR  40  -0.527   3.904   2.358
  269    HA   TYR  40           HA       TYR  40   0.979   1.587   1.333
  270    HB2  TYR  40           HB2      TYR  40  -1.957   2.285   1.011
  271    HB3  TYR  40           HB1      TYR  40  -1.157   0.933   0.225
  272    HD1  TYR  40           HD1      TYR  40  -1.948   2.299   3.602
  273    HD2  TYR  40           HD2      TYR  40  -1.134  -1.149   1.249
  274    HE1  TYR  40           HE1      TYR  40  -2.522   0.865   5.516
  275    HE2  TYR  40           HE2      TYR  40  -1.705  -2.593   3.150
  276    HH   TYR  40           HH       TYR  40  -1.828  -2.481   5.579
  277    H    TYR  41           HN       TYR  41   0.706   1.441  -1.155
  278    HA   TYR  41           HA       TYR  41  -0.431   3.733  -2.416
  279    HB2  TYR  41           HB2      TYR  41   1.367   4.957  -2.886
  280    HB3  TYR  41           HB1      TYR  41   2.317   3.892  -1.874
  281    HD1  TYR  41           HD1      TYR  41   0.928   3.483  -5.330
  282    HD2  TYR  41           HD2      TYR  41   4.403   3.636  -2.864
  283    HE1  TYR  41           HE1      TYR  41   2.325   2.915  -7.258
  284    HE2  TYR  41           HE2      TYR  41   5.779   3.030  -4.786
  285    HH   TYR  41           HH       TYR  41   5.704   2.168  -6.902
  286    H    ASN  42           HN       ASN  42  -1.180   3.292  -4.464
  287    HA   ASN  42           HA       ASN  42  -0.721   0.533  -5.395
  288    HB2  ASN  42           HB2      ASN  42  -3.088   1.205  -4.889
  289    HB3  ASN  42           HB1      ASN  42  -2.974   2.399  -6.177
  290   HD21  ASN  42          HD21      ASN  42  -4.751   0.102  -5.896
  291   HD22  ASN  42          HD22      ASN  42  -4.499  -0.876  -7.297
  292    H    SER  43           HN       SER  43   0.502   0.263  -7.176
  293    HA   SER  43           HA       SER  43   1.364   2.674  -8.560
  294    HB2  SER  43           HB2      SER  43   3.011   1.005  -9.642
  295    HB3  SER  43           HB1      SER  43   3.209   1.386  -7.921
  296    HG   SER  43           HG       SER  43   2.190  -0.570  -7.425
  297    H    LEU  44           HN       LEU  44  -0.970   0.330  -9.054
  298    HA   LEU  44           HA       LEU  44  -0.916   0.442 -11.936
  299    HB2  LEU  44           HB2      LEU  44  -2.837  -0.632  -9.905
  300    HB3  LEU  44           HB1      LEU  44  -3.372  -0.403 -11.557
  301    HG   LEU  44           HG       LEU  44  -1.568  -1.922 -12.324
  302   HD11  LEU  44          HD11      LEU  44   0.020  -1.606 -10.515
  303   HD12  LEU  44          HD12      LEU  44  -0.400  -3.312 -10.677
  304   HD13  LEU  44          HD13      LEU  44  -1.104  -2.348  -9.377
  305   HD21  LEU  44          HD21      LEU  44  -2.599  -3.986 -11.455
  306   HD22  LEU  44          HD22      LEU  44  -3.790  -2.791 -11.970
  307   HD23  LEU  44          HD23      LEU  44  -3.458  -3.022 -10.253
  308    H    THR  45           HN       THR  45  -2.139   2.327  -9.339
  309    HA   THR  45           HA       THR  45  -3.555   4.066 -11.235
  310    HB   THR  45           HB       THR  45  -4.538   5.128  -9.195
  311    HG1  THR  45           HG1      THR  45  -4.298   3.931  -7.224
  312   HG21  THR  45          HG21      THR  45  -4.988   2.152  -9.458
  313   HG22  THR  45          HG22      THR  45  -5.783   3.407 -10.406
  314   HG23  THR  45          HG23      THR  45  -6.081   3.290  -8.672
  315    H    GLN  46           HN       GLN  46  -0.670   3.667  -9.711
  316    HA   GLN  46           HA       GLN  46   1.170   4.916  -9.282
  317    HB2  GLN  46           HB2      GLN  46   0.730   5.600 -11.663
  318    HB3  GLN  46           HB1      GLN  46  -0.124   7.004 -11.041
  319    HG2  GLN  46           HG2      GLN  46   2.033   7.557  -9.806
  320    HG3  GLN  46           HG1      GLN  46   2.796   6.358 -10.848
  321   HE21  GLN  46          HE21      GLN  46   1.197   9.443 -10.721
  322   HE22  GLN  46          HE22      GLN  46   1.697   9.990 -12.282
  323    H    GLN  47           HN       GLN  47  -0.807   5.025  -7.330
  324    HA   GLN  47           HA       GLN  47  -0.575   7.809  -6.418
  325    HB2  GLN  47           HB2      GLN  47  -3.030   6.069  -6.351
  326    HB3  GLN  47           HB1      GLN  47  -2.861   7.532  -5.389
  327    HG2  GLN  47           HG2      GLN  47  -2.438   8.741  -7.583
  328    HG3  GLN  47           HG1      GLN  47  -3.008   7.270  -8.372
  329   HE21  GLN  47          HE21      GLN  47  -5.162   6.684  -8.179
  330   HE22  GLN  47          HE22      GLN  47  -6.382   7.776  -7.609
  331    H    TYR  48           HN       TYR  48   0.145   8.073  -4.457
  332    HA   TYR  48           HA       TYR  48   0.668   5.936  -2.650
  333    HB2  TYR  48           HB2      TYR  48   0.914   8.885  -2.656
  334    HB3  TYR  48           HB1      TYR  48   0.700   8.154  -1.076
  335    HD1  TYR  48           HD1      TYR  48   2.839   9.002  -0.387
  336    HD2  TYR  48           HD2      TYR  48   2.612   6.277  -3.654
  337    HE1  TYR  48           HE1      TYR  48   5.237   8.581  -0.207
  338    HE2  TYR  48           HE2      TYR  48   5.018   5.858  -3.499
  339    HH   TYR  48           HH       TYR  48   6.990   6.820  -2.602
  340    H    LEU  49           HN       LEU  49  -0.746   4.974  -1.305
  341    HA   LEU  49           HA       LEU  49  -3.423   6.173  -1.062
  342    HB2  LEU  49           HB2      LEU  49  -2.540   3.297  -1.106
  343    HB3  LEU  49           HB1      LEU  49  -4.143   3.786  -0.595
  344    HG   LEU  49           HG       LEU  49  -3.000   4.362  -3.306
  345   HD11  LEU  49          HD11      LEU  49  -4.522   2.576  -4.084
  346   HD12  LEU  49          HD12      LEU  49  -4.808   2.149  -2.401
  347   HD13  LEU  49          HD13      LEU  49  -3.194   1.992  -3.084
  348   HD21  LEU  49          HD21      LEU  49  -5.329   4.833  -3.901
  349   HD22  LEU  49          HD22      LEU  49  -4.729   5.928  -2.653
  350   HD23  LEU  49          HD23      LEU  49  -5.791   4.586  -2.219
  351    H    TYR  50           HN       TYR  50  -4.653   5.243   0.820
  352    HA   TYR  50           HA       TYR  50  -3.129   4.613   3.189
  353    HB2  TYR  50           HB2      TYR  50  -2.967   6.939   3.455
  354    HB3  TYR  50           HB1      TYR  50  -4.550   7.226   2.747
  355    HD1  TYR  50           HD1      TYR  50  -6.426   7.529   4.140
  356    HD2  TYR  50           HD2      TYR  50  -2.869   5.840   5.733
  357    HE1  TYR  50           HE1      TYR  50  -7.376   7.661   6.405
  358    HE2  TYR  50           HE2      TYR  50  -3.791   5.966   7.987
  359    HH   TYR  50           HH       TYR  50  -7.078   6.536   8.591
  360    H    TRP  51           HN       TRP  51  -4.302   3.227   4.435
  361    HA   TRP  51           HA       TRP  51  -7.021   2.687   3.544
  362    HB2  TRP  51           HB2      TRP  51  -5.550   0.751   3.727
  363    HB3  TRP  51           HB1      TRP  51  -5.244   1.115   5.404
  364    HD1  TRP  51           HD1      TRP  51  -6.756  -0.124   7.105
  365    HE1  TRP  51           HE1      TRP  51  -8.989  -1.398   6.960
  366    HE3  TRP  51           HE3      TRP  51  -7.836   0.818   2.245
  367    HZ2  TRP  51           HZ2      TRP  51 -10.956  -1.921   4.991
  368    HZ3  TRP  51           HZ3      TRP  51  -9.876  -0.091   1.298
  369    HH2  TRP  51           HH2      TRP  51 -11.418  -1.443   2.623
  370    H    ASP  52           HN       ASP  52  -8.427   4.025   4.416
  371    HA   ASP  52           HA       ASP  52  -8.277   5.106   7.032
  372    HB2  ASP  52           HB2      ASP  52  -9.549   6.356   5.488
  373    HB3  ASP  52           HB1      ASP  52 -10.457   4.942   4.963
  374    H    GLY  53           HN       GLY  53  -9.930   2.333   5.633
  375    HA2  GLY  53           HA2      GLY  53 -10.254   0.348   6.928
  376    HA3  GLY  53           HA1      GLY  53 -10.402   1.356   8.360
  377    H    GLU  54           HN       GLU  54 -12.309   2.928   8.255
  378    HA   GLU  54           HA       GLU  54 -14.597   1.220   8.043
  379    HB2  GLU  54           HB2      GLU  54 -15.812   3.107   9.055
  380    HB3  GLU  54           HB1      GLU  54 -14.361   2.676   9.950
  381    HG2  GLU  54           HG2      GLU  54 -13.224   4.546   8.621
  382    HG3  GLU  54           HG1      GLU  54 -14.860   5.068   8.223
  383    H    LYS  55           HN       LYS  55 -13.234   3.748   6.081
  384    HA   LYS  55           HA       LYS  55 -15.611   4.172   4.523
  385    HB2  LYS  55           HB2      LYS  55 -12.714   4.839   4.029
  386    HB3  LYS  55           HB1      LYS  55 -13.987   5.210   2.873
  387    HG2  LYS  55           HG2      LYS  55 -13.809   6.236   5.699
  388    HG3  LYS  55           HG1      LYS  55 -13.437   7.144   4.238
  389    HD2  LYS  55           HD2      LYS  55 -15.567   7.832   4.373
  390    HD3  LYS  55           HD1      LYS  55 -15.951   6.251   3.697
  391    HE2  LYS  55           HE2      LYS  55 -17.336   6.617   5.621
  392    HE3  LYS  55           HE1      LYS  55 -16.144   5.377   6.004
  393    HZ1  LYS  55           HZ1      LYS  55 -15.889   8.240   6.749
  394    HZ2  LYS  55           HZ2      LYS  55 -14.848   6.984   7.198
  395    HZ3  LYS  55           HZ3      LYS  55 -16.432   7.016   7.790
  396    H    GLU  56           HN       GLU  56 -13.379   1.698   4.731
  397    HA   GLU  56           HA       GLU  56 -12.941  -0.189   3.571
  398    HB2  GLU  56           HB2      GLU  56 -15.449  -0.294   3.945
  399    HB3  GLU  56           HB1      GLU  56 -15.630   0.230   2.277
  400    HG2  GLU  56           HG2      GLU  56 -14.495  -1.748   1.491
  401    HG3  GLU  56           HG1      GLU  56 -14.176  -2.255   3.149
  402    H    THR  57           HN       THR  57 -11.920   2.180   2.396
  403    HA   THR  57           HA       THR  57 -11.451   1.157  -0.262
  404    HB   THR  57           HB       THR  57 -13.419   2.620  -0.588
  405    HG1  THR  57           HG1      THR  57 -11.282   4.036  -1.740
  406   HG21  THR  57          HG21      THR  57 -11.601   4.826   0.387
  407   HG22  THR  57          HG22      THR  57 -13.026   4.216   1.226
  408   HG23  THR  57          HG23      THR  57 -13.201   5.046  -0.319
  409    H    TYR  58           HN       TYR  58  -9.553   1.962  -1.202
  410    HA   TYR  58           HA       TYR  58  -7.629   3.061   0.658
  411    HB2  TYR  58           HB2      TYR  58  -7.336   2.266  -2.237
  412    HB3  TYR  58           HB1      TYR  58  -6.025   2.714  -1.148
  413    HD1  TYR  58           HD1      TYR  58  -5.641   1.261   0.918
  414    HD2  TYR  58           HD2      TYR  58  -8.083   0.044  -2.347
  415    HE1  TYR  58           HE1      TYR  58  -5.443  -1.079   1.651
  416    HE2  TYR  58           HE2      TYR  58  -7.894  -2.297  -1.623
  417    HH   TYR  58           HH       TYR  58  -6.787  -3.215   1.394
  418    H    VAL  59           HN       VAL  59  -7.827   5.135   1.044
  419    HA   VAL  59           HA       VAL  59  -8.511   6.973  -1.115
  420    HB   VAL  59           HB       VAL  59  -8.568   8.683   0.773
  421   HG11  VAL  59          HG11      VAL  59 -10.588   7.660  -0.171
  422   HG12  VAL  59          HG12      VAL  59 -10.759   7.961   1.557
  423   HG13  VAL  59          HG13      VAL  59 -10.444   6.328   0.977
  424   HG21  VAL  59          HG21      VAL  59  -8.735   7.876   3.042
  425   HG22  VAL  59          HG22      VAL  59  -7.182   7.407   2.353
  426   HG23  VAL  59          HG23      VAL  59  -8.473   6.217   2.502
  427    HA   PRO  60           HA       PRO  60  -4.291   8.030  -1.921
  428    HB2  PRO  60           HB2      PRO  60  -5.484  10.688  -2.549
  429    HB3  PRO  60           HB1      PRO  60  -4.429   9.666  -3.532
  430    HG2  PRO  60           HG2      PRO  60  -7.021   9.842  -4.080
  431    HG3  PRO  60           HG1      PRO  60  -6.166   8.294  -4.212
  432    HD2  PRO  60           HD2      PRO  60  -8.022   9.257  -2.081
  433    HD3  PRO  60           HD1      PRO  60  -7.845   7.633  -2.776
  434    H    ALA  61           HN       ALA  61  -2.721   8.763  -0.649
  435    HA   ALA  61           HA       ALA  61  -3.404  10.059   1.826
  436    HB1  ALA  61           HB1      ALA  61  -1.748   8.262   1.743
  437    HB2  ALA  61           HB2      ALA  61  -1.058   9.743   2.401
  438    HB3  ALA  61           HB3      ALA  61  -0.702   9.267   0.740
  439    H    ALA  62           HN       ALA  62  -4.218  11.967   0.487
  440    HA   ALA  62           HA       ALA  62  -2.242  14.074   0.698
  441    HB1  ALA  62           HB1      ALA  62  -1.912  13.329  -1.610
  442    HB2  ALA  62           HB2      ALA  62  -2.622  14.942  -1.564
  443    HB3  ALA  62           HB3      ALA  62  -3.633  13.544  -1.929
  444    H    GLU  63           HN       GLU  63  -3.904  14.244   2.472
  445    HA   GLU  63           HA       GLU  63  -6.566  15.024   1.736
  446    HB2  GLU  63           HB2      GLU  63  -5.130  15.143   4.392
  447    HB3  GLU  63           HB1      GLU  63  -6.838  15.495   4.163
  448    HG2  GLU  63           HG2      GLU  63  -5.439  12.868   3.755
  449    HG3  GLU  63           HG1      GLU  63  -6.664  13.269   4.961
  450    H    SER  64           HN       SER  64  -6.787  16.827   0.673
  451    HA   SER  64           HA       SER  64  -6.442  19.331   1.978
  452    HB2  SER  64           HB2      SER  64  -4.799  18.813  -0.523
  453    HB3  SER  64           HB1      SER  64  -5.023  20.389   0.232
  454    HG   SER  64           HG       SER  64  -4.175  18.591   2.055
  455    H1   GLY 100           HT1      GLY 100   8.457   9.327 -15.347
  456    H2   GLY 100           HT2      GLY 100   9.541   9.487 -14.055
  457    H3   GLY 100           HT3      GLY 100   7.873   9.444 -13.764
  458    HA2  GLY 100           HA1      GLY 100   9.422   7.199 -14.922
  459    HA3  GLY 100           HA2      GLY 100   8.998   7.335 -13.222
  460    H    MET 101           HN       MET 101   7.712   5.513 -13.169
  461    HA   MET 101           HA       MET 101   5.145   5.809 -14.596
  462    HB2  MET 101           HB2      MET 101   4.946   3.451 -14.838
  463    HB3  MET 101           HB1      MET 101   6.568   3.861 -15.377
  464    HG2  MET 101           HG2      MET 101   7.501   3.117 -13.278
  465    HG3  MET 101           HG1      MET 101   5.884   2.800 -12.634
  466    HE1  MET 101           HE1      MET 101   4.327   0.812 -13.459
  467    HE2  MET 101           HE2      MET 101   4.705  -0.198 -14.857
  468    HE3  MET 101           HE3      MET 101   4.390   1.524 -15.072
  469    H    ARG 102           HN       ARG 102   6.792   5.443 -11.654
  470    HA   ARG 102           HA       ARG 102   4.394   5.461 -10.090
  471    HB2  ARG 102           HB2      ARG 102   4.536   3.294  -9.097
  472    HB3  ARG 102           HB1      ARG 102   4.661   3.033 -10.840
  473    HG2  ARG 102           HG2      ARG 102   7.196   3.089 -10.463
  474    HG3  ARG 102           HG1      ARG 102   6.799   2.923  -8.744
  475    HD2  ARG 102           HD2      ARG 102   5.596   0.849  -9.232
  476    HD3  ARG 102           HD1      ARG 102   5.987   1.016 -10.946
  477    HE   ARG 102           HE       ARG 102   8.352   1.090  -9.409
  478   HH11  ARG 102          HH11      ARG 102   5.894  -1.164 -10.478
  479   HH12  ARG 102          HH12      ARG 102   6.951  -2.541 -10.443
  480   HH21  ARG 102          HH21      ARG 102   9.749  -0.706  -9.358
  481   HH22  ARG 102          HH22      ARG 102   9.147  -2.285  -9.781
  482    HA   PRO 103           HA       PRO 103   7.310   6.845  -6.890
  483    HB2  PRO 103           HB2      PRO 103   5.771   6.114  -4.773
  484    HB3  PRO 103           HB1      PRO 103   5.478   7.592  -5.705
  485    HG2  PRO 103           HG2      PRO 103   4.228   4.891  -5.942
  486    HG3  PRO 103           HG1      PRO 103   3.426   6.444  -5.839
  487    HD2  PRO 103           HD2      PRO 103   3.745   5.289  -8.200
  488    HD3  PRO 103           HD1      PRO 103   4.040   7.036  -8.045
  489    HA   PRO 104           HA       PRO 104   8.888   2.918  -5.217
  490    HB2  PRO 104           HB2      PRO 104  10.345   3.720  -3.218
  491    HB3  PRO 104           HB1      PRO 104  10.625   4.502  -4.784
  492    HG2  PRO 104           HG2      PRO 104   8.902   5.443  -2.510
  493    HG3  PRO 104           HG1      PRO 104  10.189   6.319  -3.317
  494    HD2  PRO 104           HD2      PRO 104   7.545   6.545  -3.987
  495    HD3  PRO 104           HD1      PRO 104   8.853   6.822  -5.142
  496    HA   PRO 105           HA       PRO 105   6.357   1.410  -1.832
  497    HB2  PRO 105           HB2      PRO 105   8.775   0.301  -0.524
  498    HB3  PRO 105           HB1      PRO 105   7.328  -0.535  -1.095
  499    HG2  PRO 105           HG2      PRO 105   9.676  -0.736  -2.380
  500    HG3  PRO 105           HG1      PRO 105   8.130  -0.728  -3.243
  501    HD2  PRO 105           HD2      PRO 105  10.136   1.458  -2.928
  502    HD3  PRO 105           HD1      PRO 105   9.142   1.035  -4.336
  503    HA   PRO 106           HA       PRO 106   6.314   4.561   1.106
  504    HB2  PRO 106           HB2      PRO 106   5.354   3.070   3.285
  505    HB3  PRO 106           HB1      PRO 106   4.376   3.888   2.063
  506    HG2  PRO 106           HG2      PRO 106   5.166   1.029   2.256
  507    HG3  PRO 106           HG1      PRO 106   3.664   1.747   1.648
  508    HD2  PRO 106           HD2      PRO 106   5.514   0.766  -0.009
  509    HD3  PRO 106           HD1      PRO 106   4.585   2.223  -0.417
  510    H    GLY 107           HN       GLY 107   7.828   5.457   2.321
  511    HA2  GLY 107           HA2      GLY 107   9.305   5.095   4.359
  512    HA3  GLY 107           HA1      GLY 107   9.842   3.644   3.501
  513    H    ILE 108           HN       ILE 108  11.437   3.772   2.132
  514    HA   ILE 108           HA       ILE 108  13.319   4.601   1.183
  515    HB   ILE 108           HB       ILE 108  12.904   5.843  -0.860
  516   HG12  ILE 108          HG12      ILE 108  10.987   7.261   0.254
  517   HG13  ILE 108          HG11      ILE 108  10.930   6.901  -1.467
  518   HG21  ILE 108          HG21      ILE 108  10.978   4.254  -1.719
  519   HG22  ILE 108          HG22      ILE 108  11.218   3.515  -0.129
  520   HG23  ILE 108          HG23      ILE 108  12.568   3.625  -1.256
  521   HD11  ILE 108          HD11      ILE 108   9.456   4.931  -0.876
  522   HD12  ILE 108          HD12      ILE 108   8.759   6.544  -0.647
  523   HD13  ILE 108          HD13      ILE 108   9.347   5.636   0.747
  524    H    ARG 109           HN       ARG 109  13.140   5.838   3.563
  525    HA   ARG 109           HA       ARG 109  13.276   8.718   3.175
  526    HB2  ARG 109           HB2      ARG 109  13.714   7.242   5.770
  527    HB3  ARG 109           HB1      ARG 109  13.225   8.914   5.544
  528    HG2  ARG 109           HG2      ARG 109  11.097   8.015   4.515
  529    HG3  ARG 109           HG1      ARG 109  11.591   6.434   5.118
  530    HD2  ARG 109           HD2      ARG 109  10.923   8.907   6.686
  531    HD3  ARG 109           HD1      ARG 109  10.138   7.330   6.746
  532    HE   ARG 109           HE       ARG 109  12.601   6.708   7.563
  533   HH11  ARG 109          HH11      ARG 109  10.448   9.322   8.489
  534   HH12  ARG 109          HH12      ARG 109  11.099   9.455  10.098
  535   HH21  ARG 109          HH21      ARG 109  13.470   6.896   9.670
  536   HH22  ARG 109          HH22      ARG 109  12.800   8.060  10.778
  537    H    GLY 110           HN       GLY 110  15.134   9.612   2.606
  538    HA2  GLY 110           HA2      GLY 110  17.443   9.692   3.999
  539    HA3  GLY 110           HA1      GLY 110  17.649   8.252   3.010
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1 -18.881  -5.036   6.740
    2    H2   GLY   1           HT2      GLY   1 -20.049  -5.925   7.593
    3    H3   GLY   1           HT3      GLY   1 -19.637  -6.367   6.011
    4    HA2  GLY   1           HA1      GLY   1 -17.840  -6.486   8.362
    5    HA3  GLY   1           HA2      GLY   1 -18.623  -7.864   7.599
    6    H    ALA   2           HN       ALA   2 -16.091  -8.250   7.693
    7    HA   ALA   2           HA       ALA   2 -15.142  -7.945   4.980
    8    HB1  ALA   2           HB1      ALA   2 -13.555  -6.722   7.239
    9    HB2  ALA   2           HB2      ALA   2 -14.402  -5.828   5.976
   10    HB3  ALA   2           HB3      ALA   2 -13.034  -6.859   5.559
   11    H    MET   3           HN       MET   3 -15.138 -10.176   4.901
   12    HA   MET   3           HA       MET   3 -13.108 -11.495   6.585
   13    HB2  MET   3           HB2      MET   3 -15.647 -12.664   5.432
   14    HB3  MET   3           HB1      MET   3 -14.392 -13.606   6.222
   15    HG2  MET   3           HG2      MET   3 -16.041 -11.438   7.497
   16    HG3  MET   3           HG1      MET   3 -16.258 -13.174   7.713
   17    HE1  MET   3           HE1      MET   3 -12.936 -14.154   9.572
   18    HE2  MET   3           HE2      MET   3 -13.261 -14.192   7.840
   19    HE3  MET   3           HE3      MET   3 -14.488 -14.742   8.979
   20    H    GLY   4           HN       GLY   4 -11.344 -11.558   5.315
   21    HA2  GLY   4           HA2      GLY   4  -9.978 -12.318   3.621
   22    HA3  GLY   4           HA1      GLY   4 -11.335 -13.260   3.019
   23    H    THR   5           HN       THR   5 -11.721  -9.869   3.505
   24    HA   THR   5           HA       THR   5 -12.396  -9.430   0.777
   25    HB   THR   5           HB       THR   5 -11.886  -7.292   2.803
   26    HG1  THR   5           HG1      THR   5 -14.381  -8.618   2.476
   27   HG21  THR   5          HG21      THR   5 -13.811  -7.517   0.499
   28   HG22  THR   5          HG22      THR   5 -12.339  -6.548   0.531
   29   HG23  THR   5          HG23      THR   5 -13.688  -6.139   1.592
   30    H    LYS   6           HN       LYS   6 -11.018  -9.087  -0.829
   31    HA   LYS   6           HA       LYS   6  -8.210  -8.709  -0.197
   32    HB2  LYS   6           HB2      LYS   6  -9.578  -9.276  -2.830
   33    HB3  LYS   6           HB1      LYS   6  -7.841  -9.302  -2.549
   34    HG2  LYS   6           HG2      LYS   6  -8.055 -11.153  -1.045
   35    HG3  LYS   6           HG1      LYS   6  -9.813 -11.070  -1.130
   36    HD2  LYS   6           HD2      LYS   6  -9.709 -11.638  -3.519
   37    HD3  LYS   6           HD1      LYS   6  -7.949 -11.734  -3.409
   38    HE2  LYS   6           HE2      LYS   6  -8.946 -13.956  -3.291
   39    HE3  LYS   6           HE1      LYS   6  -8.143 -13.537  -1.779
   40    HZ1  LYS   6           HZ1      LYS   6 -10.500 -12.759  -1.094
   41    HZ2  LYS   6           HZ2      LYS   6 -10.123 -14.407  -1.051
   42    HZ3  LYS   6           HZ3      LYS   6 -11.023 -13.778  -2.345
   43    H    TYR   7           HN       TYR   7 -10.019  -6.470   0.106
   44    HA   TYR   7           HA       TYR   7  -8.248  -4.546  -1.103
   45    HB2  TYR   7           HB2      TYR   7 -10.796  -4.992  -2.305
   46    HB3  TYR   7           HB1      TYR   7 -10.857  -3.443  -1.484
   47    HD1  TYR   7           HD1      TYR   7  -9.473  -1.582  -2.211
   48    HD2  TYR   7           HD2      TYR   7  -9.276  -5.347  -4.182
   49    HE1  TYR   7           HE1      TYR   7  -8.285  -0.527  -4.089
   50    HE2  TYR   7           HE2      TYR   7  -8.084  -4.307  -6.064
   51    HH   TYR   7           HH       TYR   7  -6.754  -1.183  -5.915
   52    H    ALA   8           HN       ALA   8  -9.237  -5.674   1.526
   53    HA   ALA   8           HA       ALA   8 -10.024  -3.105   2.720
   54    HB1  ALA   8           HB1      ALA   8 -11.869  -4.663   2.846
   55    HB2  ALA   8           HB2      ALA   8 -11.224  -4.348   4.458
   56    HB3  ALA   8           HB3      ALA   8 -10.836  -5.858   3.630
   57    H    VAL   9           HN       VAL   9  -9.504  -5.632   4.911
   58    HA   VAL   9           HA       VAL   9  -7.266  -4.311   6.069
   59    HB   VAL   9           HB       VAL   9  -8.392  -7.049   6.691
   60   HG11  VAL   9          HG11      VAL   9  -6.599  -5.238   8.309
   61   HG12  VAL   9          HG12      VAL   9  -6.144  -6.772   7.568
   62   HG13  VAL   9          HG13      VAL   9  -7.317  -6.742   8.886
   63   HG21  VAL   9          HG21      VAL   9  -9.621  -5.931   8.492
   64   HG22  VAL   9          HG22      VAL   9 -10.083  -5.297   6.912
   65   HG23  VAL   9          HG23      VAL   9  -8.998  -4.372   7.951
   66    HA   PRO  10           HA       PRO  10  -4.308  -5.935   3.216
   67    HB2  PRO  10           HB2      PRO  10  -2.106  -5.472   4.850
   68    HB3  PRO  10           HB1      PRO  10  -2.824  -4.299   3.742
   69    HG2  PRO  10           HG2      PRO  10  -3.216  -4.616   6.683
   70    HG3  PRO  10           HG1      PRO  10  -3.091  -3.133   5.722
   71    HD2  PRO  10           HD2      PRO  10  -5.453  -4.016   6.602
   72    HD3  PRO  10           HD1      PRO  10  -5.294  -3.275   4.994
   73    H    ASP  11           HN       ASP  11  -3.613  -7.917   2.851
   74    HA   ASP  11           HA       ASP  11  -3.338  -9.757   5.116
   75    HB2  ASP  11           HB2      ASP  11  -4.965 -10.437   3.428
   76    HB3  ASP  11           HB1      ASP  11  -3.738 -10.309   2.171
   77    H    THR  12           HN       THR  12  -1.486 -10.981   5.381
   78    HA   THR  12           HA       THR  12   0.851  -9.618   4.343
   79    HB   THR  12           HB       THR  12   2.031 -11.126   6.052
   80    HG1  THR  12           HG1      THR  12  -0.686 -11.472   6.887
   81   HG21  THR  12          HG21      THR  12  -0.059  -9.136   6.950
   82   HG22  THR  12          HG22      THR  12   1.586  -8.761   6.439
   83   HG23  THR  12          HG23      THR  12   1.311  -9.685   7.916
   84    H    SER  13           HN       SER  13  -0.808 -12.538   3.619
   85    HA   SER  13           HA       SER  13   1.614 -13.904   2.791
   86    HB2  SER  13           HB2      SER  13   0.118 -15.755   2.119
   87    HB3  SER  13           HB1      SER  13  -0.137 -15.265   3.789
   88    HG   SER  13           HG       SER  13  -1.833 -13.816   2.570
   89    H    THR  14           HN       THR  14  -0.429 -11.618   1.427
   90    HA   THR  14           HA       THR  14  -0.088 -12.557  -1.298
   91    HB   THR  14           HB       THR  14  -1.231 -10.378  -1.879
   92    HG1  THR  14           HG1      THR  14  -1.615  -8.990  -0.329
   93   HG21  THR  14          HG21      THR  14  -2.473 -12.475  -1.691
   94   HG22  THR  14          HG22      THR  14  -3.435 -11.120  -1.099
   95   HG23  THR  14          HG23      THR  14  -2.661 -12.219   0.043
   96    H    TYR  15           HN       TYR  15   1.404 -10.293   0.896
   97    HA   TYR  15           HA       TYR  15   2.571  -8.649  -1.122
   98    HB2  TYR  15           HB2      TYR  15   3.113  -8.910   1.817
   99    HB3  TYR  15           HB1      TYR  15   4.007  -7.806   0.788
  100    HD1  TYR  15           HD1      TYR  15   1.308  -8.082   2.973
  101    HD2  TYR  15           HD2      TYR  15   2.429  -6.197  -0.683
  102    HE1  TYR  15           HE1      TYR  15  -0.423  -6.373   3.333
  103    HE2  TYR  15           HE2      TYR  15   0.698  -4.484  -0.321
  104    HH   TYR  15           HH       TYR  15  -0.898  -4.051   2.628
  105    H    GLN  16           HN       GLN  16   4.638  -8.444  -1.748
  106    HA   GLN  16           HA       GLN  16   6.485 -10.680  -1.221
  107    HB2  GLN  16           HB2      GLN  16   5.717 -10.318  -3.607
  108    HB3  GLN  16           HB1      GLN  16   6.483  -8.738  -3.550
  109    HG2  GLN  16           HG2      GLN  16   7.901 -10.346  -4.677
  110    HG3  GLN  16           HG1      GLN  16   8.651  -9.797  -3.178
  111   HE21  GLN  16          HE21      GLN  16   7.096 -12.445  -4.803
  112   HE22  GLN  16          HE22      GLN  16   7.547 -13.672  -3.666
  113    H    TYR  17           HN       TYR  17   8.799  -9.977  -1.112
  114    HA   TYR  17           HA       TYR  17   8.978  -7.498   0.416
  115    HB2  TYR  17           HB2      TYR  17   9.960  -9.474   1.426
  116    HB3  TYR  17           HB1      TYR  17  10.954  -9.753  -0.001
  117    HD1  TYR  17           HD1      TYR  17  10.406  -7.430   2.839
  118    HD2  TYR  17           HD2      TYR  17  13.059  -8.702  -0.233
  119    HE1  TYR  17           HE1      TYR  17  12.203  -6.080   3.834
  120    HE2  TYR  17           HE2      TYR  17  14.861  -7.354   0.754
  121    HH   TYR  17           HH       TYR  17  14.736  -6.112   3.846
  122    H    ASP  18           HN       ASP  18   9.445  -5.674  -0.643
  123    HA   ASP  18           HA       ASP  18  11.069  -5.713  -3.057
  124    HB2  ASP  18           HB2      ASP  18   9.252  -4.097  -2.989
  125    HB3  ASP  18           HB1      ASP  18   9.877  -3.400  -1.497
  126    H    GLU  19           HN       GLU  19  13.186  -5.747  -2.982
  127    HA   GLU  19           HA       GLU  19  14.595  -5.686  -0.539
  128    HB2  GLU  19           HB2      GLU  19  15.570  -5.745  -3.388
  129    HB3  GLU  19           HB1      GLU  19  16.567  -6.026  -1.978
  130    HG2  GLU  19           HG2      GLU  19  15.124  -7.956  -1.404
  131    HG3  GLU  19           HG1      GLU  19  14.272  -7.706  -2.928
  132    H    SER  20           HN       SER  20  14.304  -3.374  -3.201
  133    HA   SER  20           HA       SER  20  16.575  -1.844  -2.488
  134    HB2  SER  20           HB2      SER  20  15.407  -1.905  -4.739
  135    HB3  SER  20           HB1      SER  20  14.184  -0.845  -4.040
  136    HG   SER  20           HG       SER  20  16.933  -0.188  -3.896
  137    H    SER  21           HN       SER  21  13.160  -1.570  -1.665
  138    HA   SER  21           HA       SER  21  13.710   0.821  -0.042
  139    HB2  SER  21           HB2      SER  21  11.026  -0.436  -0.519
  140    HB3  SER  21           HB1      SER  21  11.418   1.250  -0.154
  141    HG   SER  21           HG       SER  21  11.774  -0.180  -2.564
  142    H    GLY  22           HN       GLY  22  12.761  -2.550   0.188
  143    HA2  GLY  22           HA2      GLY  22  13.135  -3.938   2.033
  144    HA3  GLY  22           HA1      GLY  22  13.382  -2.514   3.032
  145    H    TYR  23           HN       TYR  23  10.591  -3.138   0.944
  146    HA   TYR  23           HA       TYR  23   8.919  -3.225   3.369
  147    HB2  TYR  23           HB2      TYR  23   8.249  -1.463   1.014
  148    HB3  TYR  23           HB1      TYR  23   7.426  -1.535   2.568
  149    HD1  TYR  23           HD1      TYR  23   9.259  -1.221   4.586
  150    HD2  TYR  23           HD2      TYR  23   9.461   0.486   0.701
  151    HE1  TYR  23           HE1      TYR  23  10.646   0.590   5.480
  152    HE2  TYR  23           HE2      TYR  23  10.853   2.317   1.570
  153    HH   TYR  23           HH       TYR  23  12.322   2.241   4.582
  154    H    TYR  24           HN       TYR  24   6.487  -3.450   2.581
  155    HA   TYR  24           HA       TYR  24   6.481  -5.951   1.103
  156    HB2  TYR  24           HB2      TYR  24   4.349  -4.528   2.696
  157    HB3  TYR  24           HB1      TYR  24   4.078  -6.041   1.843
  158    HD1  TYR  24           HD1      TYR  24   5.681  -8.001   2.466
  159    HD2  TYR  24           HD2      TYR  24   5.045  -4.570   4.900
  160    HE1  TYR  24           HE1      TYR  24   6.439  -9.266   4.434
  161    HE2  TYR  24           HE2      TYR  24   5.809  -5.820   6.877
  162    HH   TYR  24           HH       TYR  24   7.410  -8.804   6.674
  163    H    TYR  25           HN       TYR  25   5.759  -6.222  -0.870
  164    HA   TYR  25           HA       TYR  25   4.041  -4.174  -2.120
  165    HB2  TYR  25           HB2      TYR  25   6.313  -3.945  -3.019
  166    HB3  TYR  25           HB1      TYR  25   6.383  -5.669  -3.351
  167    HD1  TYR  25           HD1      TYR  25   4.268  -6.457  -4.908
  168    HD2  TYR  25           HD2      TYR  25   6.025  -2.590  -4.853
  169    HE1  TYR  25           HE1      TYR  25   3.424  -6.059  -7.160
  170    HE2  TYR  25           HE2      TYR  25   5.178  -2.173  -7.124
  171    HH   TYR  25           HH       TYR  25   4.497  -3.530  -9.111
  172    H    ASP  26           HN       ASP  26   2.088  -5.152  -2.538
  173    HA   ASP  26           HA       ASP  26   2.033  -8.051  -2.868
  174    HB2  ASP  26           HB2      ASP  26   0.263  -7.209  -1.495
  175    HB3  ASP  26           HB1      ASP  26  -0.193  -6.017  -2.711
  176    HA   PRO  27           HA       PRO  27   2.304  -7.534  -7.276
  177    HB2  PRO  27           HB2      PRO  27   2.169 -10.214  -7.826
  178    HB3  PRO  27           HB1      PRO  27   3.648  -9.373  -7.364
  179    HG2  PRO  27           HG2      PRO  27   1.848 -11.080  -5.725
  180    HG3  PRO  27           HG1      PRO  27   3.614 -10.924  -5.667
  181    HD2  PRO  27           HD2      PRO  27   1.911  -9.751  -3.874
  182    HD3  PRO  27           HD1      PRO  27   3.518  -9.112  -4.263
  183    H    THR  28           HN       THR  28  -0.193  -9.050  -5.425
  184    HA   THR  28           HA       THR  28  -1.888  -9.805  -7.593
  185    HB   THR  28           HB       THR  28  -2.906  -9.289  -4.848
  186    HG1  THR  28           HG1      THR  28  -1.171 -10.436  -4.247
  187   HG21  THR  28          HG21      THR  28  -3.418 -11.457  -6.879
  188   HG22  THR  28          HG22      THR  28  -4.470 -10.082  -6.546
  189   HG23  THR  28          HG23      THR  28  -4.216 -11.315  -5.311
  190    H    THR  29           HN       THR  29  -2.227  -7.247  -5.120
  191    HA   THR  29           HA       THR  29  -4.208  -5.932  -6.831
  192    HB   THR  29           HB       THR  29  -4.691  -4.553  -4.817
  193    HG1  THR  29           HG1      THR  29  -2.890  -6.376  -3.536
  194   HG21  THR  29          HG21      THR  29  -5.799  -6.329  -3.555
  195   HG22  THR  29          HG22      THR  29  -4.815  -7.538  -4.376
  196   HG23  THR  29          HG23      THR  29  -5.984  -6.584  -5.291
  197    H    GLY  30           HN       GLY  30  -0.947  -5.646  -5.903
  198    HA2  GLY  30           HA2      GLY  30   0.621  -4.190  -6.821
  199    HA3  GLY  30           HA1      GLY  30  -0.694  -3.238  -7.493
  200    H    LEU  31           HN       LEU  31  -0.912  -4.031  -4.168
  201    HA   LEU  31           HA       LEU  31  -0.592  -1.237  -3.495
  202    HB2  LEU  31           HB2      LEU  31  -1.715  -3.610  -2.084
  203    HB3  LEU  31           HB1      LEU  31  -1.169  -2.248  -1.127
  204    HG   LEU  31           HG       LEU  31  -3.503  -1.966  -1.424
  205   HD11  LEU  31          HD11      LEU  31  -2.143   0.064  -1.735
  206   HD12  LEU  31          HD12      LEU  31  -3.690   0.116  -2.581
  207   HD13  LEU  31          HD13      LEU  31  -2.206  -0.205  -3.480
  208   HD21  LEU  31          HD21      LEU  31  -4.607  -1.953  -3.588
  209   HD22  LEU  31          HD22      LEU  31  -3.831  -3.504  -3.273
  210   HD23  LEU  31          HD23      LEU  31  -3.079  -2.351  -4.377
  211    H    TYR  32           HN       TYR  32   0.978  -0.351  -2.494
  212    HA   TYR  32           HA       TYR  32   3.268  -1.869  -1.522
  213    HB2  TYR  32           HB2      TYR  32   2.720   1.088  -1.885
  214    HB3  TYR  32           HB1      TYR  32   4.195   0.465  -1.167
  215    HD1  TYR  32           HD1      TYR  32   2.330  -0.638  -4.233
  216    HD2  TYR  32           HD2      TYR  32   5.874   1.010  -2.600
  217    HE1  TYR  32           HE1      TYR  32   3.395  -0.723  -6.443
  218    HE2  TYR  32           HE2      TYR  32   6.961   0.940  -4.770
  219    HH   TYR  32           HH       TYR  32   5.237   0.416  -7.633
  220    H    TYR  33           HN       TYR  33   3.728  -2.039   0.682
  221    HA   TYR  33           HA       TYR  33   2.115  -0.412   2.517
  222    HB2  TYR  33           HB2      TYR  33   0.896  -2.482   2.435
  223    HB3  TYR  33           HB1      TYR  33   2.374  -3.421   2.634
  224    HD1  TYR  33           HD1      TYR  33   0.499  -0.716   4.415
  225    HD2  TYR  33           HD2      TYR  33   2.792  -4.282   4.749
  226    HE1  TYR  33           HE1      TYR  33   0.164  -0.695   6.849
  227    HE2  TYR  33           HE2      TYR  33   2.458  -4.275   7.181
  228    HH   TYR  33           HH       TYR  33   0.207  -2.204   8.727
  229    H    ASP  34           HN       ASP  34   3.347   0.570   3.956
  230    HA   ASP  34           HA       ASP  34   5.662  -0.926   5.008
  231    HB2  ASP  34           HB2      ASP  34   6.611   0.878   3.791
  232    HB3  ASP  34           HB1      ASP  34   5.450   2.024   4.452
  233    HA   PRO  35           HA       PRO  35   3.289  -0.531   8.773
  234    HB2  PRO  35           HB2      PRO  35   5.661  -1.833   9.925
  235    HB3  PRO  35           HB1      PRO  35   3.983  -2.372   9.914
  236    HG2  PRO  35           HG2      PRO  35   5.860  -3.565   8.417
  237    HG3  PRO  35           HG1      PRO  35   4.187  -3.388   7.856
  238    HD2  PRO  35           HD2      PRO  35   6.611  -1.789   7.128
  239    HD3  PRO  35           HD1      PRO  35   5.294  -2.376   6.089
  240    H    ASN  36           HN       ASN  36   6.488   0.660   8.080
  241    HA   ASN  36           HA       ASN  36   6.908   1.819  10.691
  242    HB2  ASN  36           HB2      ASN  36   8.391   2.240   8.088
  243    HB3  ASN  36           HB1      ASN  36   8.905   2.866   9.648
  244   HD21  ASN  36          HD21      ASN  36   8.592   0.071   7.632
  245   HD22  ASN  36          HD22      ASN  36   9.564  -0.991   8.613
  246    H    SER  37           HN       SER  37   6.151   3.114   7.450
  247    HA   SER  37           HA       SER  37   5.672   5.747   8.635
  248    HB2  SER  37           HB2      SER  37   5.444   4.985   5.718
  249    HB3  SER  37           HB1      SER  37   5.666   6.596   6.402
  250    HG   SER  37           HG       SER  37   7.518   4.447   6.318
  251    H    GLN  38           HN       GLN  38   4.038   2.960   7.715
  252    HA   GLN  38           HA       GLN  38   1.903   2.298   7.829
  253    HB2  GLN  38           HB2      GLN  38   1.722   4.823   9.447
  254    HB3  GLN  38           HB1      GLN  38   0.341   3.757   9.217
  255    HG2  GLN  38           HG2      GLN  38   1.527   1.930  10.256
  256    HG3  GLN  38           HG1      GLN  38   2.983   2.914  10.392
  257   HE21  GLN  38          HE21      GLN  38   3.100   4.483  11.974
  258   HE22  GLN  38          HE22      GLN  38   1.972   4.575  13.283
  259    H    TYR  39           HN       TYR  39   2.686   3.805   5.458
  260    HA   TYR  39           HA       TYR  39  -0.077   4.389   4.702
  261    HB2  TYR  39           HB2      TYR  39   0.521   6.115   3.167
  262    HB3  TYR  39           HB1      TYR  39   1.246   6.502   4.712
  263    HD1  TYR  39           HD1      TYR  39   1.884   5.488   1.237
  264    HD2  TYR  39           HD2      TYR  39   3.640   6.651   4.934
  265    HE1  TYR  39           HE1      TYR  39   4.068   5.724   0.118
  266    HE2  TYR  39           HE2      TYR  39   5.834   6.903   3.837
  267    HH   TYR  39           HH       TYR  39   6.176   6.459   0.321
  268    H    TYR  40           HN       TYR  40  -0.468   4.163   2.360
  269    HA   TYR  40           HA       TYR  40   0.848   1.724   1.354
  270    HB2  TYR  40           HB2      TYR  40  -2.051   2.572   1.083
  271    HB3  TYR  40           HB1      TYR  40  -1.343   1.137   0.355
  272    HD1  TYR  40           HD1      TYR  40  -1.834   2.715   3.711
  273    HD2  TYR  40           HD2      TYR  40  -1.562  -0.879   1.455
  274    HE1  TYR  40           HE1      TYR  40  -2.432   1.426   5.712
  275    HE2  TYR  40           HE2      TYR  40  -2.158  -2.184   3.449
  276    HH   TYR  40           HH       TYR  40  -3.315  -0.686   6.350
  277    H    TYR  41           HN       TYR  41   0.560   1.537  -1.095
  278    HA   TYR  41           HA       TYR  41  -0.440   3.836  -2.445
  279    HB2  TYR  41           HB2      TYR  41   1.419   4.988  -2.791
  280    HB3  TYR  41           HB1      TYR  41   2.321   3.831  -1.842
  281    HD1  TYR  41           HD1      TYR  41   0.895   3.482  -5.296
  282    HD2  TYR  41           HD2      TYR  41   4.397   3.719  -2.868
  283    HE1  TYR  41           HE1      TYR  41   2.287   2.975  -7.253
  284    HE2  TYR  41           HE2      TYR  41   5.768   3.178  -4.808
  285    HH   TYR  41           HH       TYR  41   5.734   2.456  -6.951
  286    H    ASN  42           HN       ASN  42  -1.226   3.339  -4.433
  287    HA   ASN  42           HA       ASN  42  -0.837   0.549  -5.288
  288    HB2  ASN  42           HB2      ASN  42  -3.178   1.328  -4.752
  289    HB3  ASN  42           HB1      ASN  42  -3.061   2.425  -6.123
  290   HD21  ASN  42          HD21      ASN  42  -4.877   0.183  -5.633
  291   HD22  ASN  42          HD22      ASN  42  -4.673  -0.898  -6.964
  292    H    SER  43           HN       SER  43   0.458   0.234  -6.975
  293    HA   SER  43           HA       SER  43   1.270   2.554  -8.523
  294    HB2  SER  43           HB2      SER  43   3.077   1.250  -7.660
  295    HB3  SER  43           HB1      SER  43   2.399  -0.245  -8.336
  296    HG   SER  43           HG       SER  43   2.666   1.367 -10.373
  297    H    LEU  44           HN       LEU  44  -1.211   0.493  -8.849
  298    HA   LEU  44           HA       LEU  44  -1.077   0.184 -11.720
  299    HB2  LEU  44           HB2      LEU  44  -3.396  -0.115  -9.806
  300    HB3  LEU  44           HB1      LEU  44  -3.464  -0.488 -11.517
  301    HG   LEU  44           HG       LEU  44  -1.727  -1.894  -9.489
  302   HD11  LEU  44          HD11      LEU  44  -4.073  -2.419  -9.189
  303   HD12  LEU  44          HD12      LEU  44  -3.229  -3.795  -9.896
  304   HD13  LEU  44          HD13      LEU  44  -4.237  -2.765 -10.909
  305   HD21  LEU  44          HD21      LEU  44  -0.690  -1.845 -11.695
  306   HD22  LEU  44          HD22      LEU  44  -2.179  -2.459 -12.416
  307   HD23  LEU  44          HD23      LEU  44  -1.257  -3.468 -11.301
  308    H    THR  45           HN       THR  45  -2.206   2.497  -9.403
  309    HA   THR  45           HA       THR  45  -3.221   4.188 -11.584
  310    HB   THR  45           HB       THR  45  -4.350   5.494  -9.766
  311    HG1  THR  45           HG1      THR  45  -4.333   4.728  -7.709
  312   HG21  THR  45          HG21      THR  45  -5.568   3.799 -11.070
  313   HG22  THR  45          HG22      THR  45  -6.156   3.893  -9.411
  314   HG23  THR  45          HG23      THR  45  -5.095   2.569  -9.895
  315    H    GLN  46           HN       GLN  46  -0.605   3.683  -9.664
  316    HA   GLN  46           HA       GLN  46   1.296   4.810  -9.174
  317    HB2  GLN  46           HB2      GLN  46   1.001   5.523 -11.608
  318    HB3  GLN  46           HB1      GLN  46   0.329   7.024 -10.986
  319    HG2  GLN  46           HG2      GLN  46   2.520   7.190  -9.644
  320    HG3  GLN  46           HG1      GLN  46   3.125   5.984 -10.779
  321   HE21  GLN  46          HE21      GLN  46   2.041   9.244 -10.366
  322   HE22  GLN  46          HE22      GLN  46   2.607   9.850 -11.887
  323    H    GLN  47           HN       GLN  47  -0.782   5.051  -7.374
  324    HA   GLN  47           HA       GLN  47  -0.604   7.867  -6.522
  325    HB2  GLN  47           HB2      GLN  47  -2.960   5.993  -6.240
  326    HB3  GLN  47           HB1      GLN  47  -2.873   7.616  -5.568
  327    HG2  GLN  47           HG2      GLN  47  -2.750   8.564  -7.789
  328    HG3  GLN  47           HG1      GLN  47  -2.730   6.950  -8.499
  329   HE21  GLN  47          HE21      GLN  47  -4.600   9.159  -8.878
  330   HE22  GLN  47          HE22      GLN  47  -6.160   8.536  -8.476
  331    H    TYR  48           HN       TYR  48  -0.096   8.261  -4.439
  332    HA   TYR  48           HA       TYR  48   0.512   6.092  -2.624
  333    HB2  TYR  48           HB2      TYR  48   0.794   9.052  -2.639
  334    HB3  TYR  48           HB1      TYR  48   0.607   8.302  -1.066
  335    HD1  TYR  48           HD1      TYR  48   2.756   9.240  -0.478
  336    HD2  TYR  48           HD2      TYR  48   2.484   6.374  -3.618
  337    HE1  TYR  48           HE1      TYR  48   5.161   8.864  -0.351
  338    HE2  TYR  48           HE2      TYR  48   4.900   6.007  -3.510
  339    HH   TYR  48           HH       TYR  48   6.781   7.034  -0.946
  340    H    LEU  49           HN       LEU  49  -0.798   5.363  -0.991
  341    HA   LEU  49           HA       LEU  49  -3.425   6.657  -0.612
  342    HB2  LEU  49           HB2      LEU  49  -2.882   3.779  -1.313
  343    HB3  LEU  49           HB1      LEU  49  -4.363   4.273  -0.527
  344    HG   LEU  49           HG       LEU  49  -4.316   5.967  -2.669
  345   HD11  LEU  49          HD11      LEU  49  -3.701   4.715  -4.618
  346   HD12  LEU  49          HD12      LEU  49  -3.211   3.346  -3.617
  347   HD13  LEU  49          HD13      LEU  49  -2.308   4.861  -3.544
  348   HD21  LEU  49          HD21      LEU  49  -5.451   3.184  -2.601
  349   HD22  LEU  49          HD22      LEU  49  -5.951   4.483  -3.685
  350   HD23  LEU  49          HD23      LEU  49  -6.213   4.634  -1.946
  351    H    TYR  50           HN       TYR  50  -4.622   5.462   1.249
  352    HA   TYR  50           HA       TYR  50  -2.936   3.941   3.041
  353    HB2  TYR  50           HB2      TYR  50  -3.307   5.306   5.003
  354    HB3  TYR  50           HB1      TYR  50  -2.570   6.307   3.761
  355    HD1  TYR  50           HD1      TYR  50  -5.580   5.685   5.736
  356    HD2  TYR  50           HD2      TYR  50  -3.839   8.105   2.700
  357    HE1  TYR  50           HE1      TYR  50  -7.393   7.318   6.008
  358    HE2  TYR  50           HE2      TYR  50  -5.653   9.744   2.963
  359    HH   TYR  50           HH       TYR  50  -7.901   9.582   5.594
  360    H    TRP  51           HN       TRP  51  -4.222   2.809   4.667
  361    HA   TRP  51           HA       TRP  51  -6.903   2.310   3.681
  362    HB2  TRP  51           HB2      TRP  51  -5.486   0.375   4.237
  363    HB3  TRP  51           HB1      TRP  51  -5.381   0.933   5.889
  364    HD1  TRP  51           HD1      TRP  51  -7.069  -0.193   7.497
  365    HE1  TRP  51           HE1      TRP  51  -9.348  -1.367   7.223
  366    HE3  TRP  51           HE3      TRP  51  -7.678   0.499   2.516
  367    HZ2  TRP  51           HZ2      TRP  51 -11.165  -1.913   5.122
  368    HZ3  TRP  51           HZ3      TRP  51  -9.677  -0.359   1.444
  369    HH2  TRP  51           HH2      TRP  51 -11.402  -1.549   2.698
  370    H    ASP  52           HN       ASP  52  -8.220   3.888   4.265
  371    HA   ASP  52           HA       ASP  52  -8.293   5.192   6.766
  372    HB2  ASP  52           HB2      ASP  52  -9.363   6.195   4.849
  373    HB3  ASP  52           HB1      ASP  52 -10.404   4.794   4.634
  374    H    GLY  53           HN       GLY  53 -10.078   2.452   5.435
  375    HA2  GLY  53           HA2      GLY  53 -10.616   0.541   6.759
  376    HA3  GLY  53           HA1      GLY  53 -10.657   1.582   8.178
  377    H    GLU  54           HN       GLU  54 -12.323   3.568   7.580
  378    HA   GLU  54           HA       GLU  54 -14.825   2.126   7.708
  379    HB2  GLU  54           HB2      GLU  54 -14.262   5.076   8.014
  380    HB3  GLU  54           HB1      GLU  54 -15.789   4.279   8.374
  381    HG2  GLU  54           HG2      GLU  54 -13.159   3.912   9.777
  382    HG3  GLU  54           HG1      GLU  54 -14.633   4.626  10.425
  383    H    LYS  55           HN       LYS  55 -13.109   4.020   5.393
  384    HA   LYS  55           HA       LYS  55 -15.381   4.545   3.718
  385    HB2  LYS  55           HB2      LYS  55 -12.469   4.443   2.904
  386    HB3  LYS  55           HB1      LYS  55 -13.780   5.223   2.030
  387    HG2  LYS  55           HG2      LYS  55 -12.684   6.053   4.709
  388    HG3  LYS  55           HG1      LYS  55 -12.400   6.856   3.166
  389    HD2  LYS  55           HD2      LYS  55 -14.827   7.302   2.998
  390    HD3  LYS  55           HD1      LYS  55 -15.043   6.576   4.593
  391    HE2  LYS  55           HE2      LYS  55 -13.326   8.980   3.975
  392    HE3  LYS  55           HE1      LYS  55 -14.936   9.034   4.691
  393    HZ1  LYS  55           HZ1      LYS  55 -13.157   9.228   6.338
  394    HZ2  LYS  55           HZ2      LYS  55 -12.580   7.692   5.911
  395    HZ3  LYS  55           HZ3      LYS  55 -14.118   7.857   6.607
  396    H    GLU  56           HN       GLU  56 -13.569   1.829   4.461
  397    HA   GLU  56           HA       GLU  56 -13.422  -0.290   3.708
  398    HB2  GLU  56           HB2      GLU  56 -15.971   0.453   2.275
  399    HB3  GLU  56           HB1      GLU  56 -15.360  -1.186   2.460
  400    HG2  GLU  56           HG2      GLU  56 -15.491  -0.893   4.922
  401    HG3  GLU  56           HG1      GLU  56 -16.258   0.672   4.645
  402    H    THR  57           HN       THR  57 -12.182   1.879   2.144
  403    HA   THR  57           HA       THR  57 -11.258   0.192   0.018
  404    HB   THR  57           HB       THR  57 -13.241   1.325  -1.028
  405    HG1  THR  57           HG1      THR  57 -12.069   1.913  -2.908
  406   HG21  THR  57          HG21      THR  57 -11.587   3.821  -0.621
  407   HG22  THR  57          HG22      THR  57 -13.135   3.463   0.149
  408   HG23  THR  57          HG23      THR  57 -13.051   3.710  -1.596
  409    H    TYR  58           HN       TYR  58  -9.352   1.140  -1.025
  410    HA   TYR  58           HA       TYR  58  -7.753   2.543   0.904
  411    HB2  TYR  58           HB2      TYR  58  -7.162   1.517  -1.878
  412    HB3  TYR  58           HB1      TYR  58  -5.965   2.360  -0.895
  413    HD1  TYR  58           HD1      TYR  58  -5.409   1.341   1.402
  414    HD2  TYR  58           HD2      TYR  58  -7.477  -0.787  -1.648
  415    HE1  TYR  58           HE1      TYR  58  -4.783  -0.783   2.468
  416    HE2  TYR  58           HE2      TYR  58  -6.859  -2.917  -0.585
  417    HH   TYR  58           HH       TYR  58  -4.877  -3.677   0.975
  418    H    VAL  59           HN       VAL  59  -7.537   4.655   1.063
  419    HA   VAL  59           HA       VAL  59  -8.416   6.295  -1.210
  420    HB   VAL  59           HB       VAL  59  -9.912   6.719   0.536
  421   HG11  VAL  59          HG11      VAL  59  -9.235   7.257   2.845
  422   HG12  VAL  59          HG12      VAL  59  -7.559   6.935   2.407
  423   HG13  VAL  59          HG13      VAL  59  -8.747   5.636   2.357
  424   HG21  VAL  59          HG21      VAL  59  -7.800   8.861   0.653
  425   HG22  VAL  59          HG22      VAL  59  -9.457   9.040   1.222
  426   HG23  VAL  59          HG23      VAL  59  -9.138   8.763  -0.489
  427    HA   PRO  60           HA       PRO  60  -4.205   7.569  -1.566
  428    HB2  PRO  60           HB2      PRO  60  -5.354   9.762  -3.156
  429    HB3  PRO  60           HB1      PRO  60  -4.219   8.496  -3.641
  430    HG2  PRO  60           HG2      PRO  60  -6.764   8.480  -4.481
  431    HG3  PRO  60           HG1      PRO  60  -5.908   6.978  -4.095
  432    HD2  PRO  60           HD2      PRO  60  -7.889   8.482  -2.449
  433    HD3  PRO  60           HD1      PRO  60  -7.745   6.734  -2.724
  434    H    ALA  61           HN       ALA  61  -2.896   9.009  -0.589
  435    HA   ALA  61           HA       ALA  61  -4.085  10.976   1.178
  436    HB1  ALA  61           HB1      ALA  61  -2.204   9.574   1.935
  437    HB2  ALA  61           HB2      ALA  61  -1.822  11.293   2.013
  438    HB3  ALA  61           HB3      ALA  61  -1.179  10.307   0.701
  439    H    ALA  62           HN       ALA  62  -4.712  11.603  -1.341
  440    HA   ALA  62           HA       ALA  62  -3.277  14.078  -1.833
  441    HB1  ALA  62           HB1      ALA  62  -2.986  13.582  -4.227
  442    HB2  ALA  62           HB2      ALA  62  -3.579  11.943  -3.951
  443    HB3  ALA  62           HB3      ALA  62  -2.067  12.470  -3.213
  444    H    GLU  63           HN       GLU  63  -4.462  15.524  -3.142
  445    HA   GLU  63           HA       GLU  63  -7.216  15.584  -2.718
  446    HB2  GLU  63           HB2      GLU  63  -7.195  17.459  -4.361
  447    HB3  GLU  63           HB1      GLU  63  -5.969  17.607  -3.108
  448    HG2  GLU  63           HG2      GLU  63  -4.294  16.719  -4.679
  449    HG3  GLU  63           HG1      GLU  63  -5.531  16.662  -5.932
  450    H    SER  64           HN       SER  64  -8.992  15.192  -4.026
  451    HA   SER  64           HA       SER  64  -8.574  14.083  -6.691
  452    HB2  SER  64           HB2      SER  64 -10.110  12.624  -4.527
  453    HB3  SER  64           HB1      SER  64 -10.017  12.138  -6.221
  454    HG   SER  64           HG       SER  64  -7.543  12.534  -5.225
  455    H1   GLY 100           HT1      GLY 100  12.668   6.016 -13.622
  456    H2   GLY 100           HT2      GLY 100  11.510   7.207 -13.967
  457    H3   GLY 100           HT3      GLY 100  11.745   5.915 -15.043
  458    HA2  GLY 100           HA1      GLY 100  10.961   4.356 -13.365
  459    HA3  GLY 100           HA2      GLY 100  10.690   5.712 -12.280
  460    H    MET 101           HN       MET 101   8.564   4.326 -12.556
  461    HA   MET 101           HA       MET 101   6.857   5.792 -14.465
  462    HB2  MET 101           HB2      MET 101   5.624   3.787 -14.976
  463    HB3  MET 101           HB1      MET 101   7.329   3.440 -15.245
  464    HG2  MET 101           HG2      MET 101   7.469   2.292 -13.120
  465    HG3  MET 101           HG1      MET 101   5.788   2.699 -12.745
  466    HE1  MET 101           HE1      MET 101   8.208   0.612 -15.051
  467    HE2  MET 101           HE2      MET 101   7.316   1.591 -16.213
  468    HE3  MET 101           HE3      MET 101   7.067  -0.156 -16.154
  469    H    ARG 102           HN       ARG 102   7.533   5.654 -11.401
  470    HA   ARG 102           HA       ARG 102   4.922   5.743 -10.284
  471    HB2  ARG 102           HB2      ARG 102   4.884   3.610  -9.140
  472    HB3  ARG 102           HB1      ARG 102   5.137   3.291 -10.859
  473    HG2  ARG 102           HG2      ARG 102   7.617   3.235 -10.323
  474    HG3  ARG 102           HG1      ARG 102   7.131   3.204  -8.621
  475    HD2  ARG 102           HD2      ARG 102   5.902   1.144  -8.994
  476    HD3  ARG 102           HD1      ARG 102   6.303   1.188 -10.713
  477    HE   ARG 102           HE       ARG 102   8.702   1.279  -9.302
  478   HH11  ARG 102          HH11      ARG 102   6.060  -0.990  -9.793
  479   HH12  ARG 102          HH12      ARG 102   7.050  -2.387  -9.506
  480   HH21  ARG 102          HH21      ARG 102   9.982  -0.555  -8.931
  481   HH22  ARG 102          HH22      ARG 102   9.275  -2.138  -9.014
  482    HA   PRO 103           HA       PRO 103   7.381   6.965  -6.638
  483    HB2  PRO 103           HB2      PRO 103   5.634   6.143  -4.726
  484    HB3  PRO 103           HB1      PRO 103   5.417   7.654  -5.627
  485    HG2  PRO 103           HG2      PRO 103   4.241   4.952  -6.088
  486    HG3  PRO 103           HG1      PRO 103   3.406   6.490  -6.012
  487    HD2  PRO 103           HD2      PRO 103   3.995   5.415  -8.370
  488    HD3  PRO 103           HD1      PRO 103   4.222   7.163  -8.128
  489    HA   PRO 104           HA       PRO 104   8.808   2.961  -5.084
  490    HB2  PRO 104           HB2      PRO 104  10.262   3.701  -3.064
  491    HB3  PRO 104           HB1      PRO 104  10.574   4.479  -4.623
  492    HG2  PRO 104           HG2      PRO 104   8.914   5.475  -2.328
  493    HG3  PRO 104           HG1      PRO 104  10.191   6.318  -3.190
  494    HD2  PRO 104           HD2      PRO 104   7.501   6.544  -3.764
  495    HD3  PRO 104           HD1      PRO 104   8.786   6.883  -4.928
  496    HA   PRO 105           HA       PRO 105   6.255   1.500  -1.702
  497    HB2  PRO 105           HB2      PRO 105   8.632   0.337  -0.373
  498    HB3  PRO 105           HB1      PRO 105   7.172  -0.465  -0.958
  499    HG2  PRO 105           HG2      PRO 105   9.536  -0.717  -2.218
  500    HG3  PRO 105           HG1      PRO 105   7.994  -0.708  -3.088
  501    HD2  PRO 105           HD2      PRO 105  10.032   1.458  -2.813
  502    HD3  PRO 105           HD1      PRO 105   9.017   1.031  -4.204
  503    HA   PRO 106           HA       PRO 106   6.328   4.691   1.155
  504    HB2  PRO 106           HB2      PRO 106   5.312   3.233   3.347
  505    HB3  PRO 106           HB1      PRO 106   4.379   4.139   2.155
  506    HG2  PRO 106           HG2      PRO 106   4.937   1.231   2.310
  507    HG3  PRO 106           HG1      PRO 106   3.521   2.077   1.663
  508    HD2  PRO 106           HD2      PRO 106   5.353   0.946   0.067
  509    HD3  PRO 106           HD1      PRO 106   4.520   2.450  -0.379
  510    H    GLY 107           HN       GLY 107   7.877   5.536   2.412
  511    HA2  GLY 107           HA2      GLY 107   9.262   5.174   4.467
  512    HA3  GLY 107           HA1      GLY 107   9.689   3.619   3.740
  513    H    ILE 108           HN       ILE 108  10.865   3.593   1.799
  514    HA   ILE 108           HA       ILE 108  13.026   3.963   1.141
  515    HB   ILE 108           HB       ILE 108  13.064   5.755  -0.604
  516   HG12  ILE 108          HG12      ILE 108  11.230   7.153   0.557
  517   HG13  ILE 108          HG11      ILE 108  11.165   6.999  -1.193
  518   HG21  ILE 108          HG21      ILE 108  10.650   4.140  -1.161
  519   HG22  ILE 108          HG22      ILE 108  12.106   3.270  -0.652
  520   HG23  ILE 108          HG23      ILE 108  12.158   4.312  -2.073
  521   HD11  ILE 108          HD11      ILE 108   9.491   5.134  -0.855
  522   HD12  ILE 108          HD12      ILE 108   8.954   6.763  -0.408
  523   HD13  ILE 108          HD13      ILE 108   9.442   5.625   0.848
  524    H    ARG 109           HN       ARG 109  13.396   4.616   3.550
  525    HA   ARG 109           HA       ARG 109  14.626   7.290   3.604
  526    HB2  ARG 109           HB2      ARG 109  13.739   5.587   5.945
  527    HB3  ARG 109           HB1      ARG 109  14.417   7.204   6.041
  528    HG2  ARG 109           HG2      ARG 109  12.481   8.144   4.994
  529    HG3  ARG 109           HG1      ARG 109  11.815   6.539   4.681
  530    HD2  ARG 109           HD2      ARG 109  12.276   7.821   7.370
  531    HD3  ARG 109           HD1      ARG 109  10.723   7.489   6.607
  532    HE   ARG 109           HE       ARG 109  12.375   5.154   7.008
  533   HH11  ARG 109          HH11      ARG 109   9.836   7.184   8.312
  534   HH12  ARG 109          HH12      ARG 109   9.357   6.025   9.521
  535   HH21  ARG 109          HH21      ARG 109  11.725   3.618   8.594
  536   HH22  ARG 109          HH22      ARG 109  10.413   4.009   9.663
  537    H    GLY 110           HN       GLY 110  16.753   7.449   4.376
  538    HA2  GLY 110           HA2      GLY 110  18.858   6.715   4.993
  539    HA3  GLY 110           HA1      GLY 110  18.147   5.163   5.410
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1 -19.711  -6.914   5.988
    2    H2   GLY   1           HT2      GLY   1 -19.954  -7.290   7.622
    3    H3   GLY   1           HT3      GLY   1 -21.195  -6.553   6.726
    4    HA2  GLY   1           HA1      GLY   1 -20.107  -9.275   6.256
    5    HA3  GLY   1           HA2      GLY   1 -21.632  -8.912   7.050
    6    H    ALA   2           HN       ALA   2 -21.694 -10.556   4.927
    7    HA   ALA   2           HA       ALA   2 -22.722 -10.954   2.950
    8    HB1  ALA   2           HB1      ALA   2 -23.864  -8.178   3.264
    9    HB2  ALA   2           HB2      ALA   2 -24.553  -9.655   3.943
   10    HB3  ALA   2           HB3      ALA   2 -24.464  -9.445   2.192
   11    H    MET   3           HN       MET   3 -20.922 -11.140   1.703
   12    HA   MET   3           HA       MET   3 -19.381 -10.687   0.101
   13    HB2  MET   3           HB2      MET   3 -21.485  -9.883  -1.082
   14    HB3  MET   3           HB1      MET   3 -21.049  -8.257  -0.580
   15    HG2  MET   3           HG2      MET   3 -18.960  -8.426  -1.835
   16    HG3  MET   3           HG1      MET   3 -19.395 -10.062  -2.333
   17    HE1  MET   3           HE1      MET   3 -22.481  -9.832  -2.818
   18    HE2  MET   3           HE2      MET   3 -21.420 -10.625  -3.982
   19    HE3  MET   3           HE3      MET   3 -22.576  -9.409  -4.527
   20    H    GLY   4           HN       GLY   4 -18.862  -9.857   2.666
   21    HA2  GLY   4           HA2      GLY   4 -18.140  -7.098   2.838
   22    HA3  GLY   4           HA1      GLY   4 -17.756  -8.351   4.003
   23    H    THR   5           HN       THR   5 -16.489  -9.881   1.655
   24    HA   THR   5           HA       THR   5 -13.848  -8.887   2.070
   25    HB   THR   5           HB       THR   5 -14.251 -11.282   1.861
   26    HG1  THR   5           HG1      THR   5 -12.197 -10.618   1.288
   27   HG21  THR   5          HG21      THR   5 -14.745 -12.305  -0.328
   28   HG22  THR   5          HG22      THR   5 -15.010 -10.697  -1.002
   29   HG23  THR   5          HG23      THR   5 -16.074 -11.310   0.263
   30    H    LYS   6           HN       LYS   6 -14.645  -6.735   1.243
   31    HA   LYS   6           HA       LYS   6 -14.655  -6.412  -1.634
   32    HB2  LYS   6           HB2      LYS   6 -16.205  -5.108  -0.301
   33    HB3  LYS   6           HB1      LYS   6 -14.883  -4.452   0.648
   34    HG2  LYS   6           HG2      LYS   6 -14.077  -3.203  -1.234
   35    HG3  LYS   6           HG1      LYS   6 -15.268  -3.962  -2.297
   36    HD2  LYS   6           HD2      LYS   6 -15.895  -1.668  -1.548
   37    HD3  LYS   6           HD1      LYS   6 -17.078  -2.906  -1.123
   38    HE2  LYS   6           HE2      LYS   6 -16.072  -3.012   1.147
   39    HE3  LYS   6           HE1      LYS   6 -15.008  -1.679   0.700
   40    HZ1  LYS   6           HZ1      LYS   6 -16.888  -0.251   0.431
   41    HZ2  LYS   6           HZ2      LYS   6 -17.010  -0.991   1.955
   42    HZ3  LYS   6           HZ3      LYS   6 -17.974  -1.532   0.667
   43    H    TYR   7           HN       TYR   7 -12.926  -4.661   0.854
   44    HA   TYR   7           HA       TYR   7 -10.371  -5.225  -0.434
   45    HB2  TYR   7           HB2      TYR   7 -11.410  -2.443   0.152
   46    HB3  TYR   7           HB1      TYR   7  -9.707  -2.795  -0.115
   47    HD1  TYR   7           HD1      TYR   7 -12.752  -1.842  -1.628
   48    HD2  TYR   7           HD2      TYR   7  -9.153  -3.983  -2.376
   49    HE1  TYR   7           HE1      TYR   7 -13.110  -1.584  -4.046
   50    HE2  TYR   7           HE2      TYR   7  -9.497  -3.731  -4.794
   51    HH   TYR   7           HH       TYR   7 -11.846  -1.600  -6.106
   52    H    ALA   8           HN       ALA   8 -11.067  -2.784   1.976
   53    HA   ALA   8           HA       ALA   8 -10.404  -2.467   4.087
   54    HB1  ALA   8           HB1      ALA   8 -11.065  -4.156   5.685
   55    HB2  ALA   8           HB2      ALA   8 -11.248  -5.335   4.382
   56    HB3  ALA   8           HB3      ALA   8 -12.302  -3.925   4.448
   57    H    VAL   9           HN       VAL   9  -9.511  -5.635   4.926
   58    HA   VAL   9           HA       VAL   9  -6.913  -4.597   5.560
   59    HB   VAL   9           HB       VAL   9  -6.738  -6.705   6.879
   60   HG11  VAL   9          HG11      VAL   9  -7.433  -4.654   7.935
   61   HG12  VAL   9          HG12      VAL   9  -8.351  -6.003   8.603
   62   HG13  VAL   9          HG13      VAL   9  -9.095  -4.927   7.420
   63   HG21  VAL   9          HG21      VAL   9  -9.602  -7.066   6.045
   64   HG22  VAL   9          HG22      VAL   9  -8.773  -8.008   7.284
   65   HG23  VAL   9          HG23      VAL   9  -8.251  -8.109   5.602
   66    HA   PRO  10           HA       PRO  10  -5.036  -6.863   2.208
   67    HB2  PRO  10           HB2      PRO  10  -2.516  -5.789   3.101
   68    HB3  PRO  10           HB1      PRO  10  -3.469  -5.312   1.695
   69    HG2  PRO  10           HG2      PRO  10  -3.061  -3.715   3.884
   70    HG3  PRO  10           HG1      PRO  10  -4.461  -3.578   2.806
   71    HD2  PRO  10           HD2      PRO  10  -4.241  -4.916   5.474
   72    HD3  PRO  10           HD1      PRO  10  -5.558  -3.920   4.814
   73    H    ASP  11           HN       ASP  11  -4.030  -8.820   2.092
   74    HA   ASP  11           HA       ASP  11  -3.303 -10.080   4.606
   75    HB2  ASP  11           HB2      ASP  11  -4.717 -11.226   2.836
   76    HB3  ASP  11           HB1      ASP  11  -3.252 -11.347   1.864
   77    H    THR  12           HN       THR  12  -1.277 -10.731   5.173
   78    HA   THR  12           HA       THR  12   0.829  -9.243   3.889
   79    HB   THR  12           HB       THR  12   2.124 -10.301   5.919
   80    HG1  THR  12           HG1      THR  12   0.881 -11.274   7.360
   81   HG21  THR  12          HG21      THR  12   1.356  -8.451   7.323
   82   HG22  THR  12          HG22      THR  12  -0.052  -8.234   6.287
   83   HG23  THR  12          HG23      THR  12   1.561  -7.916   5.655
   84    H    SER  13           HN       SER  13  -0.343 -12.355   3.459
   85    HA   SER  13           HA       SER  13   2.252 -13.626   3.201
   86    HB2  SER  13           HB2      SER  13   0.980 -15.634   2.539
   87    HB3  SER  13           HB1      SER  13   0.373 -14.948   4.045
   88    HG   SER  13           HG       SER  13  -1.344 -14.030   2.907
   89    H    THR  14           HN       THR  14   0.068 -11.919   1.151
   90    HA   THR  14           HA       THR  14   1.200 -13.119  -1.251
   91    HB   THR  14           HB       THR  14  -0.484 -11.614  -2.421
   92    HG1  THR  14           HG1      THR  14  -1.162 -10.120  -1.042
   93   HG21  THR  14          HG21      THR  14  -1.502 -13.668  -0.450
   94   HG22  THR  14          HG22      THR  14  -0.880 -13.998  -2.069
   95   HG23  THR  14          HG23      THR  14  -2.376 -13.084  -1.867
   96    H    TYR  15           HN       TYR  15   1.886 -10.544   0.757
   97    HA   TYR  15           HA       TYR  15   2.849  -8.718  -1.244
   98    HB2  TYR  15           HB2      TYR  15   3.070  -8.866   1.738
   99    HB3  TYR  15           HB1      TYR  15   4.102  -7.766   0.840
  100    HD1  TYR  15           HD1      TYR  15   0.790  -8.376   2.140
  101    HD2  TYR  15           HD2      TYR  15   3.061  -5.888  -0.459
  102    HE1  TYR  15           HE1      TYR  15  -0.988  -6.688   2.213
  103    HE2  TYR  15           HE2      TYR  15   1.285  -4.194  -0.388
  104    HH   TYR  15           HH       TYR  15  -1.168  -4.122   0.055
  105    H    GLN  16           HN       GLN  16   4.800  -8.646  -2.149
  106    HA   GLN  16           HA       GLN  16   6.833 -10.592  -1.389
  107    HB2  GLN  16           HB2      GLN  16   6.668  -8.571  -3.638
  108    HB3  GLN  16           HB1      GLN  16   8.059  -9.607  -3.358
  109    HG2  GLN  16           HG2      GLN  16   6.767 -11.572  -3.798
  110    HG3  GLN  16           HG1      GLN  16   5.281 -10.629  -3.885
  111   HE21  GLN  16          HE21      GLN  16   8.265  -9.466  -5.255
  112   HE22  GLN  16          HE22      GLN  16   7.794  -9.632  -6.908
  113    H    TYR  17           HN       TYR  17   9.109  -9.786  -1.117
  114    HA   TYR  17           HA       TYR  17   9.060  -7.323   0.473
  115    HB2  TYR  17           HB2      TYR  17   9.817  -9.496   1.521
  116    HB3  TYR  17           HB1      TYR  17  11.213  -9.440   0.450
  117    HD1  TYR  17           HD1      TYR  17   9.488  -7.654   3.190
  118    HD2  TYR  17           HD2      TYR  17  13.096  -8.102   0.981
  119    HE1  TYR  17           HE1      TYR  17  10.661  -6.258   4.838
  120    HE2  TYR  17           HE2      TYR  17  14.281  -6.707   2.623
  121    HH   TYR  17           HH       TYR  17  13.787  -5.006   4.297
  122    H    ASP  18           HN       ASP  18   9.516  -5.644  -0.792
  123    HA   ASP  18           HA       ASP  18  11.381  -5.747  -2.976
  124    HB2  ASP  18           HB2      ASP  18   9.529  -4.165  -3.059
  125    HB3  ASP  18           HB1      ASP  18  10.069  -3.402  -1.566
  126    H    GLU  19           HN       GLU  19  13.487  -5.906  -2.649
  127    HA   GLU  19           HA       GLU  19  14.667  -5.448  -0.104
  128    HB2  GLU  19           HB2      GLU  19  15.354  -7.206  -1.750
  129    HB3  GLU  19           HB1      GLU  19  16.076  -5.934  -2.726
  130    HG2  GLU  19           HG2      GLU  19  17.603  -5.388  -0.932
  131    HG3  GLU  19           HG1      GLU  19  16.849  -6.597   0.106
  132    H    SER  20           HN       SER  20  14.352  -3.504  -2.971
  133    HA   SER  20           HA       SER  20  16.636  -1.870  -2.609
  134    HB2  SER  20           HB2      SER  20  14.072  -1.237  -4.089
  135    HB3  SER  20           HB1      SER  20  15.627  -0.428  -4.303
  136    HG   SER  20           HG       SER  20  16.211  -2.919  -4.623
  137    H    SER  21           HN       SER  21  13.206  -1.321  -1.812
  138    HA   SER  21           HA       SER  21  13.961   0.997  -0.178
  139    HB2  SER  21           HB2      SER  21  11.250  -0.106  -0.918
  140    HB3  SER  21           HB1      SER  21  11.549   1.397  -0.042
  141    HG   SER  21           HG       SER  21  12.863   1.994  -1.939
  142    H    GLY  22           HN       GLY  22  12.813  -2.301   0.087
  143    HA2  GLY  22           HA2      GLY  22  13.298  -3.668   1.948
  144    HA3  GLY  22           HA1      GLY  22  13.481  -2.226   2.934
  145    H    TYR  23           HN       TYR  23  10.722  -2.942   0.835
  146    HA   TYR  23           HA       TYR  23   9.040  -3.160   3.236
  147    HB2  TYR  23           HB2      TYR  23   8.310  -1.327   0.953
  148    HB3  TYR  23           HB1      TYR  23   7.531  -1.460   2.528
  149    HD1  TYR  23           HD1      TYR  23   9.339  -1.085   4.549
  150    HD2  TYR  23           HD2      TYR  23   9.556   0.538   0.631
  151    HE1  TYR  23           HE1      TYR  23  10.796   0.710   5.383
  152    HE2  TYR  23           HE2      TYR  23  11.007   2.343   1.438
  153    HH   TYR  23           HH       TYR  23  12.655   2.266   4.220
  154    H    TYR  24           HN       TYR  24   6.617  -3.428   2.385
  155    HA   TYR  24           HA       TYR  24   6.743  -5.889   0.845
  156    HB2  TYR  24           HB2      TYR  24   4.537  -4.594   2.440
  157    HB3  TYR  24           HB1      TYR  24   4.344  -6.104   1.558
  158    HD1  TYR  24           HD1      TYR  24   6.013  -8.006   2.164
  159    HD2  TYR  24           HD2      TYR  24   5.251  -4.632   4.648
  160    HE1  TYR  24           HE1      TYR  24   6.831  -9.259   4.117
  161    HE2  TYR  24           HE2      TYR  24   6.076  -5.876   6.602
  162    HH   TYR  24           HH       TYR  24   7.787  -8.792   6.338
  163    H    TYR  25           HN       TYR  25   5.884  -6.250  -1.074
  164    HA   TYR  25           HA       TYR  25   4.170  -4.210  -2.318
  165    HB2  TYR  25           HB2      TYR  25   6.462  -3.992  -3.226
  166    HB3  TYR  25           HB1      TYR  25   6.461  -5.695  -3.648
  167    HD1  TYR  25           HD1      TYR  25   3.277  -4.984  -4.435
  168    HD2  TYR  25           HD2      TYR  25   7.168  -3.866  -5.727
  169    HE1  TYR  25           HE1      TYR  25   2.381  -4.432  -6.663
  170    HE2  TYR  25           HE2      TYR  25   6.295  -3.293  -7.928
  171    HH   TYR  25           HH       TYR  25   4.304  -3.974  -9.355
  172    H    ASP  26           HN       ASP  26   2.254  -5.152  -2.656
  173    HA   ASP  26           HA       ASP  26   2.078  -8.039  -3.077
  174    HB2  ASP  26           HB2      ASP  26   0.506  -6.971  -1.497
  175    HB3  ASP  26           HB1      ASP  26  -0.111  -5.960  -2.801
  176    HA   PRO  27           HA       PRO  27   2.260  -7.008  -7.465
  177    HB2  PRO  27           HB2      PRO  27   2.310  -9.591  -8.318
  178    HB3  PRO  27           HB1      PRO  27   3.738  -8.746  -7.704
  179    HG2  PRO  27           HG2      PRO  27   1.877 -10.601  -6.262
  180    HG3  PRO  27           HG1      PRO  27   3.651 -10.597  -6.267
  181    HD2  PRO  27           HD2      PRO  27   2.285  -9.528  -4.233
  182    HD3  PRO  27           HD1      PRO  27   3.766  -8.755  -4.843
  183    H    THR  28           HN       THR  28  -0.043  -9.123  -5.879
  184    HA   THR  28           HA       THR  28  -1.687  -9.583  -8.140
  185    HB   THR  28           HB       THR  28  -3.343  -9.911  -5.964
  186    HG1  THR  28           HG1      THR  28  -1.673  -9.433  -4.489
  187   HG21  THR  28          HG21      THR  28  -1.357 -11.867  -7.130
  188   HG22  THR  28          HG22      THR  28  -2.977 -11.537  -7.743
  189   HG23  THR  28          HG23      THR  28  -2.768 -12.297  -6.166
  190    H    THR  29           HN       THR  29  -1.928  -7.288  -5.425
  191    HA   THR  29           HA       THR  29  -4.231  -6.026  -6.729
  192    HB   THR  29           HB       THR  29  -4.347  -4.652  -4.647
  193    HG1  THR  29           HG1      THR  29  -2.341  -6.451  -3.689
  194   HG21  THR  29          HG21      THR  29  -5.658  -6.709  -4.870
  195   HG22  THR  29          HG22      THR  29  -5.134  -6.474  -3.203
  196   HG23  THR  29          HG23      THR  29  -4.306  -7.643  -4.233
  197    H    GLY  30           HN       GLY  30  -0.858  -5.491  -6.049
  198    HA2  GLY  30           HA2      GLY  30   0.490  -3.959  -7.252
  199    HA3  GLY  30           HA1      GLY  30  -0.954  -3.024  -7.627
  200    H    LEU  31           HN       LEU  31  -0.854  -4.014  -4.407
  201    HA   LEU  31           HA       LEU  31  -0.504  -1.258  -3.589
  202    HB2  LEU  31           HB2      LEU  31  -1.726  -3.672  -2.425
  203    HB3  LEU  31           HB1      LEU  31  -0.994  -2.568  -1.280
  204    HG   LEU  31           HG       LEU  31  -2.408  -0.740  -2.212
  205   HD11  LEU  31          HD11      LEU  31  -4.347  -1.352  -3.574
  206   HD12  LEU  31          HD12      LEU  31  -3.721  -2.995  -3.714
  207   HD13  LEU  31          HD13      LEU  31  -2.827  -1.647  -4.419
  208   HD21  LEU  31          HD21      LEU  31  -3.878  -3.151  -1.156
  209   HD22  LEU  31          HD22      LEU  31  -4.465  -1.488  -1.126
  210   HD23  LEU  31          HD23      LEU  31  -3.040  -1.938  -0.187
  211    H    TYR  32           HN       TYR  32   1.135  -0.437  -2.590
  212    HA   TYR  32           HA       TYR  32   3.333  -2.092  -1.610
  213    HB2  TYR  32           HB2      TYR  32   2.953   0.871  -2.048
  214    HB3  TYR  32           HB1      TYR  32   4.350   0.224  -1.209
  215    HD1  TYR  32           HD1      TYR  32   2.864  -1.465  -4.140
  216    HD2  TYR  32           HD2      TYR  32   5.908   1.133  -2.744
  217    HE1  TYR  32           HE1      TYR  32   4.047  -1.693  -6.280
  218    HE2  TYR  32           HE2      TYR  32   7.103   0.924  -4.852
  219    HH   TYR  32           HH       TYR  32   7.251  -0.741  -6.721
  220    H    TYR  33           HN       TYR  33   4.006  -1.973   0.615
  221    HA   TYR  33           HA       TYR  33   2.257  -0.493   2.431
  222    HB2  TYR  33           HB2      TYR  33   1.134  -2.613   2.313
  223    HB3  TYR  33           HB1      TYR  33   2.643  -3.488   2.544
  224    HD1  TYR  33           HD1      TYR  33   0.601  -0.887   4.294
  225    HD2  TYR  33           HD2      TYR  33   3.059  -4.338   4.651
  226    HE1  TYR  33           HE1      TYR  33   0.191  -0.919   6.716
  227    HE2  TYR  33           HE2      TYR  33   2.654  -4.386   7.070
  228    HH   TYR  33           HH       TYR  33   0.225  -2.588   8.564
  229    H    ASP  34           HN       ASP  34   3.395   0.510   3.935
  230    HA   ASP  34           HA       ASP  34   5.884  -0.770   4.910
  231    HB2  ASP  34           HB2      ASP  34   6.473   1.335   3.927
  232    HB3  ASP  34           HB1      ASP  34   5.145   2.155   4.739
  233    HA   PRO  35           HA       PRO  35   3.432  -1.293   8.598
  234    HB2  PRO  35           HB2      PRO  35   6.026  -2.083   9.760
  235    HB3  PRO  35           HB1      PRO  35   4.524  -3.003   9.644
  236    HG2  PRO  35           HG2      PRO  35   6.643  -3.603   8.130
  237    HG3  PRO  35           HG1      PRO  35   4.991  -3.739   7.500
  238    HD2  PRO  35           HD2      PRO  35   7.021  -1.582   7.051
  239    HD3  PRO  35           HD1      PRO  35   5.906  -2.340   5.892
  240    H    ASN  36           HN       ASN  36   6.350   0.613   8.284
  241    HA   ASN  36           HA       ASN  36   6.200   1.683  10.958
  242    HB2  ASN  36           HB2      ASN  36   7.949   2.284   8.588
  243    HB3  ASN  36           HB1      ASN  36   8.002   3.266  10.047
  244   HD21  ASN  36          HD21      ASN  36  10.112   2.695  10.468
  245   HD22  ASN  36          HD22      ASN  36  10.543   1.122  11.057
  246    H    SER  37           HN       SER  37   5.517   2.965   7.700
  247    HA   SER  37           HA       SER  37   4.412   5.381   8.921
  248    HB2  SER  37           HB2      SER  37   4.611   4.744   5.979
  249    HB3  SER  37           HB1      SER  37   4.402   6.326   6.726
  250    HG   SER  37           HG       SER  37   6.687   4.682   6.614
  251    H    GLN  38           HN       GLN  38   3.472   2.389   7.798
  252    HA   GLN  38           HA       GLN  38   1.565   1.345   7.287
  253    HB2  GLN  38           HB2      GLN  38   0.611   3.348   9.299
  254    HB3  GLN  38           HB1      GLN  38  -0.484   2.169   8.585
  255    HG2  GLN  38           HG2      GLN  38   1.329   0.452   9.309
  256    HG3  GLN  38           HG1      GLN  38   1.839   1.737  10.404
  257   HE21  GLN  38          HE21      GLN  38   0.679  -0.886  10.953
  258   HE22  GLN  38          HE22      GLN  38  -0.752  -0.600  11.883
  259    H    TYR  39           HN       TYR  39   2.269   3.698   5.533
  260    HA   TYR  39           HA       TYR  39  -0.430   3.970   4.446
  261    HB2  TYR  39           HB2      TYR  39   0.246   5.802   3.096
  262    HB3  TYR  39           HB1      TYR  39   0.895   6.102   4.697
  263    HD1  TYR  39           HD1      TYR  39   1.704   5.226   1.219
  264    HD2  TYR  39           HD2      TYR  39   3.253   6.296   5.034
  265    HE1  TYR  39           HE1      TYR  39   3.930   5.530   0.224
  266    HE2  TYR  39           HE2      TYR  39   5.500   6.622   4.063
  267    HH   TYR  39           HH       TYR  39   5.986   6.493   0.585
  268    H    TYR  40           HN       TYR  40  -0.731   3.669   2.221
  269    HA   TYR  40           HA       TYR  40   0.844   1.401   1.211
  270    HB2  TYR  40           HB2      TYR  40  -2.083   2.062   0.752
  271    HB3  TYR  40           HB1      TYR  40  -1.228   0.678   0.086
  272    HD1  TYR  40           HD1      TYR  40  -2.407   2.207   3.243
  273    HD2  TYR  40           HD2      TYR  40  -1.024  -1.325   1.319
  274    HE1  TYR  40           HE1      TYR  40  -3.020   0.895   5.223
  275    HE2  TYR  40           HE2      TYR  40  -1.637  -2.648   3.294
  276    HH   TYR  40           HH       TYR  40  -1.992  -2.319   5.686
  277    H    TYR  41           HN       TYR  41   0.671   1.282  -1.267
  278    HA   TYR  41           HA       TYR  41  -0.516   3.560  -2.503
  279    HB2  TYR  41           HB2      TYR  41   1.243   4.817  -3.013
  280    HB3  TYR  41           HB1      TYR  41   2.200   3.808  -1.950
  281    HD1  TYR  41           HD1      TYR  41   0.876   3.348  -5.440
  282    HD2  TYR  41           HD2      TYR  41   4.288   3.422  -2.877
  283    HE1  TYR  41           HE1      TYR  41   2.321   2.812  -7.324
  284    HE2  TYR  41           HE2      TYR  41   5.722   2.888  -4.767
  285    HH   TYR  41           HH       TYR  41   4.519   2.868  -8.022
  286    H    ASN  42           HN       ASN  42  -1.352   3.098  -4.445
  287    HA   ASN  42           HA       ASN  42  -0.983   0.341  -5.361
  288    HB2  ASN  42           HB2      ASN  42  -3.297   1.246  -4.918
  289    HB3  ASN  42           HB1      ASN  42  -3.060   2.340  -6.276
  290   HD21  ASN  42          HD21      ASN  42  -5.047   0.254  -5.912
  291   HD22  ASN  42          HD22      ASN  42  -4.847  -0.840  -7.237
  292    H    SER  43           HN       SER  43   0.375  -0.018  -6.986
  293    HA   SER  43           HA       SER  43   1.362   2.258  -8.483
  294    HB2  SER  43           HB2      SER  43   2.974   0.425  -9.396
  295    HB3  SER  43           HB1      SER  43   3.157   0.999  -7.725
  296    HG   SER  43           HG       SER  43   2.000  -0.853  -7.047
  297    H    LEU  44           HN       LEU  44  -1.184   0.292  -8.912
  298    HA   LEU  44           HA       LEU  44  -1.003   0.192 -11.808
  299    HB2  LEU  44           HB2      LEU  44  -3.325  -0.329  -9.938
  300    HB3  LEU  44           HB1      LEU  44  -3.379  -0.542 -11.678
  301    HG   LEU  44           HG       LEU  44  -1.612  -2.082  -9.776
  302   HD11  LEU  44          HD11      LEU  44  -3.070  -3.977 -10.351
  303   HD12  LEU  44          HD12      LEU  44  -4.112  -2.879 -11.259
  304   HD13  LEU  44          HD13      LEU  44  -3.938  -2.689  -9.514
  305   HD21  LEU  44          HD21      LEU  44  -1.103  -3.473 -11.717
  306   HD22  LEU  44          HD22      LEU  44  -0.586  -1.806 -11.967
  307   HD23  LEU  44          HD23      LEU  44  -2.056  -2.399 -12.739
  308    H    THR  45           HN       THR  45  -2.439   2.137  -9.273
  309    HA   THR  45           HA       THR  45  -3.591   3.977 -11.231
  310    HB   THR  45           HB       THR  45  -4.529   5.122  -9.199
  311    HG1  THR  45           HG1      THR  45  -4.330   4.051  -7.216
  312   HG21  THR  45          HG21      THR  45  -5.155   2.184  -9.515
  313   HG22  THR  45          HG22      THR  45  -5.878   3.507 -10.425
  314   HG23  THR  45          HG23      THR  45  -6.184   3.358  -8.697
  315    H    GLN  46           HN       GLN  46  -0.752   3.524  -9.508
  316    HA   GLN  46           HA       GLN  46   1.158   4.732  -9.269
  317    HB2  GLN  46           HB2      GLN  46   0.680   5.485 -11.588
  318    HB3  GLN  46           HB1      GLN  46  -0.259   6.821 -10.946
  319    HG2  GLN  46           HG2      GLN  46   1.805   7.638  -9.819
  320    HG3  GLN  46           HG1      GLN  46   2.701   6.377 -10.665
  321   HE21  GLN  46          HE21      GLN  46   3.013   6.570 -12.900
  322   HE22  GLN  46          HE22      GLN  46   2.710   8.044 -13.757
  323    H    GLN  47           HN       GLN  47  -1.063   4.894  -7.383
  324    HA   GLN  47           HA       GLN  47  -0.701   7.636  -6.395
  325    HB2  GLN  47           HB2      GLN  47  -3.161   5.902  -6.319
  326    HB3  GLN  47           HB1      GLN  47  -2.997   7.390  -5.394
  327    HG2  GLN  47           HG2      GLN  47  -2.882   7.155  -8.394
  328    HG3  GLN  47           HG1      GLN  47  -4.249   7.746  -7.450
  329   HE21  GLN  47          HE21      GLN  47  -2.686   9.084  -9.521
  330   HE22  GLN  47          HE22      GLN  47  -2.058  10.524  -8.788
  331    H    TYR  48           HN       TYR  48   0.103   7.890  -4.465
  332    HA   TYR  48           HA       TYR  48   0.567   5.791  -2.604
  333    HB2  TYR  48           HB2      TYR  48   0.862   8.736  -2.693
  334    HB3  TYR  48           HB1      TYR  48   0.654   8.050  -1.093
  335    HD1  TYR  48           HD1      TYR  48   2.792   8.841  -0.414
  336    HD2  TYR  48           HD2      TYR  48   2.525   6.126  -3.680
  337    HE1  TYR  48           HE1      TYR  48   5.177   8.389  -0.237
  338    HE2  TYR  48           HE2      TYR  48   4.920   5.678  -3.536
  339    HH   TYR  48           HH       TYR  48   6.856   6.387  -2.604
  340    H    LEU  49           HN       LEU  49  -0.838   4.929  -1.151
  341    HA   LEU  49           HA       LEU  49  -3.476   6.224  -0.880
  342    HB2  LEU  49           HB2      LEU  49  -2.769   3.302  -1.037
  343    HB3  LEU  49           HB1      LEU  49  -4.355   3.892  -0.582
  344    HG   LEU  49           HG       LEU  49  -3.016   4.391  -3.223
  345   HD11  LEU  49          HD11      LEU  49  -5.289   2.550  -2.549
  346   HD12  LEU  49          HD12      LEU  49  -3.640   2.052  -2.924
  347   HD13  LEU  49          HD13      LEU  49  -4.622   2.844  -4.156
  348   HD21  LEU  49          HD21      LEU  49  -5.806   5.017  -2.302
  349   HD22  LEU  49          HD22      LEU  49  -5.180   5.257  -3.932
  350   HD23  LEU  49          HD23      LEU  49  -4.524   6.193  -2.591
  351    H    TYR  50           HN       TYR  50  -4.717   5.413   1.008
  352    HA   TYR  50           HA       TYR  50  -3.131   4.634   3.320
  353    HB2  TYR  50           HB2      TYR  50  -3.005   6.865   3.824
  354    HB3  TYR  50           HB1      TYR  50  -4.418   7.272   2.866
  355    HD1  TYR  50           HD1      TYR  50  -6.484   7.694   3.929
  356    HD2  TYR  50           HD2      TYR  50  -3.361   5.766   6.074
  357    HE1  TYR  50           HE1      TYR  50  -7.792   7.887   6.005
  358    HE2  TYR  50           HE2      TYR  50  -4.648   5.954   8.149
  359    HH   TYR  50           HH       TYR  50  -6.437   7.344   9.077
  360    H    TRP  51           HN       TRP  51  -4.238   3.274   4.643
  361    HA   TRP  51           HA       TRP  51  -6.811   2.363   3.758
  362    HB2  TRP  51           HB2      TRP  51  -5.213   0.704   4.476
  363    HB3  TRP  51           HB1      TRP  51  -5.022   1.503   6.013
  364    HD1  TRP  51           HD1      TRP  51  -5.731  -0.465   7.556
  365    HE1  TRP  51           HE1      TRP  51  -7.932  -1.701   7.971
  366    HE3  TRP  51           HE3      TRP  51  -8.383   1.325   3.604
  367    HZ2  TRP  51           HZ2      TRP  51 -10.475  -1.905   6.754
  368    HZ3  TRP  51           HZ3      TRP  51 -10.656   0.571   3.304
  369    HH2  TRP  51           HH2      TRP  51 -11.703  -1.022   4.833
  370    H    ASP  52           HN       ASP  52  -8.445   3.669   4.169
  371    HA   ASP  52           HA       ASP  52  -8.590   5.429   6.385
  372    HB2  ASP  52           HB2      ASP  52  -9.668   5.986   4.288
  373    HB3  ASP  52           HB1      ASP  52 -10.692   4.560   4.395
  374    H    GLY  53           HN       GLY  53 -10.438   2.498   5.570
  375    HA2  GLY  53           HA2      GLY  53 -10.957   0.826   7.191
  376    HA3  GLY  53           HA1      GLY  53 -10.822   2.051   8.444
  377    H    GLU  54           HN       GLU  54 -12.443   4.020   7.704
  378    HA   GLU  54           HA       GLU  54 -14.998   2.830   8.267
  379    HB2  GLU  54           HB2      GLU  54 -14.174   5.714   7.901
  380    HB3  GLU  54           HB1      GLU  54 -15.768   5.189   8.432
  381    HG2  GLU  54           HG2      GLU  54 -14.800   4.178  10.414
  382    HG3  GLU  54           HG1      GLU  54 -13.185   4.620   9.869
  383    H    LYS  55           HN       LYS  55 -13.588   4.708   5.600
  384    HA   LYS  55           HA       LYS  55 -15.956   4.454   3.964
  385    HB2  LYS  55           HB2      LYS  55 -13.137   5.165   3.121
  386    HB3  LYS  55           HB1      LYS  55 -14.602   5.428   2.185
  387    HG2  LYS  55           HG2      LYS  55 -13.926   6.751   4.803
  388    HG3  LYS  55           HG1      LYS  55 -13.786   7.487   3.207
  389    HD2  LYS  55           HD2      LYS  55 -16.210   7.210   2.888
  390    HD3  LYS  55           HD1      LYS  55 -16.330   6.518   4.508
  391    HE2  LYS  55           HE2      LYS  55 -16.960   8.837   4.593
  392    HE3  LYS  55           HE1      LYS  55 -15.428   8.619   5.434
  393    HZ1  LYS  55           HZ1      LYS  55 -15.910   9.859   2.791
  394    HZ2  LYS  55           HZ2      LYS  55 -14.375   9.308   3.232
  395    HZ3  LYS  55           HZ3      LYS  55 -15.131  10.519   4.144
  396    H    GLU  56           HN       GLU  56 -13.506   2.449   4.908
  397    HA   GLU  56           HA       GLU  56 -12.756   0.398   4.369
  398    HB2  GLU  56           HB2      GLU  56 -15.239   0.101   2.695
  399    HB3  GLU  56           HB1      GLU  56 -14.282  -1.172   3.445
  400    HG2  GLU  56           HG2      GLU  56 -14.973  -0.458   5.640
  401    HG3  GLU  56           HG1      GLU  56 -15.861   0.901   4.949
  402    H    THR  57           HN       THR  57 -12.015   2.606   2.589
  403    HA   THR  57           HA       THR  57 -11.172   0.957   0.324
  404    HB   THR  57           HB       THR  57 -13.135   2.292  -0.408
  405    HG1  THR  57           HG1      THR  57 -11.807   3.463  -2.149
  406   HG21  THR  57          HG21      THR  57 -12.865   4.233   1.031
  407   HG22  THR  57          HG22      THR  57 -12.897   4.726  -0.661
  408   HG23  THR  57          HG23      THR  57 -11.364   4.660   0.210
  409    H    TYR  58           HN       TYR  58  -9.481   2.225  -0.977
  410    HA   TYR  58           HA       TYR  58  -7.532   3.302   0.931
  411    HB2  TYR  58           HB2      TYR  58  -7.126   2.248  -1.868
  412    HB3  TYR  58           HB1      TYR  58  -5.859   2.740  -0.747
  413    HD1  TYR  58           HD1      TYR  58  -5.728   1.464   1.498
  414    HD2  TYR  58           HD2      TYR  58  -7.850   0.028  -1.899
  415    HE1  TYR  58           HE1      TYR  58  -5.648  -0.818   2.419
  416    HE2  TYR  58           HE2      TYR  58  -7.779  -2.254  -0.987
  417    HH   TYR  58           HH       TYR  58  -6.963  -2.953   2.198
  418    H    VAL  59           HN       VAL  59  -7.776   5.400   1.109
  419    HA   VAL  59           HA       VAL  59  -8.272   7.023  -1.279
  420    HB   VAL  59           HB       VAL  59  -8.639   8.888   0.346
  421   HG11  VAL  59          HG11      VAL  59 -10.519   7.581  -0.511
  422   HG12  VAL  59          HG12      VAL  59 -10.804   8.095   1.154
  423   HG13  VAL  59          HG13      VAL  59 -10.324   6.431   0.815
  424   HG21  VAL  59          HG21      VAL  59  -7.277   8.102   2.183
  425   HG22  VAL  59          HG22      VAL  59  -8.334   6.705   2.400
  426   HG23  VAL  59          HG23      VAL  59  -8.942   8.329   2.722
  427    HA   PRO  60           HA       PRO  60  -4.039   8.104  -1.736
  428    HB2  PRO  60           HB2      PRO  60  -5.079  10.816  -2.387
  429    HB3  PRO  60           HB1      PRO  60  -4.008   9.765  -3.319
  430    HG2  PRO  60           HG2      PRO  60  -6.558  10.071  -4.019
  431    HG3  PRO  60           HG1      PRO  60  -5.757   8.495  -4.152
  432    HD2  PRO  60           HD2      PRO  60  -7.713   9.461  -2.110
  433    HD3  PRO  60           HD1      PRO  60  -7.534   7.848  -2.832
  434    H    ALA  61           HN       ALA  61  -2.583   8.652  -0.275
  435    HA   ALA  61           HA       ALA  61  -3.385  10.257   2.017
  436    HB1  ALA  61           HB1      ALA  61  -0.854   8.691   1.501
  437    HB2  ALA  61           HB2      ALA  61  -2.253   8.131   2.416
  438    HB3  ALA  61           HB3      ALA  61  -1.287   9.476   3.019
  439    H    ALA  62           HN       ALA  62  -3.241  11.782  -0.245
  440    HA   ALA  62           HA       ALA  62  -0.635  13.116  -0.219
  441    HB1  ALA  62           HB1      ALA  62  -1.517  12.485  -2.403
  442    HB2  ALA  62           HB2      ALA  62  -1.411  14.239  -2.255
  443    HB3  ALA  62           HB3      ALA  62  -2.971  13.434  -2.102
  444    H    GLU  63           HN       GLU  63  -1.916  13.559   2.101
  445    HA   GLU  63           HA       GLU  63  -3.692  15.775   2.082
  446    HB2  GLU  63           HB2      GLU  63  -3.631  14.238   3.971
  447    HB3  GLU  63           HB1      GLU  63  -1.958  14.674   4.302
  448    HG2  GLU  63           HG2      GLU  63  -2.630  16.943   4.838
  449    HG3  GLU  63           HG1      GLU  63  -4.305  16.555   4.449
  450    H    SER  64           HN       SER  64  -3.146  17.703   1.389
  451    HA   SER  64           HA       SER  64  -0.632  18.877   2.349
  452    HB2  SER  64           HB2      SER  64  -1.786  19.323  -0.418
  453    HB3  SER  64           HB1      SER  64  -0.252  19.931   0.203
  454    HG   SER  64           HG       SER  64  -0.855  17.163   0.025
  455    H1   GLY 100           HT1      GLY 100  11.727   7.289 -12.487
  456    H2   GLY 100           HT2      GLY 100  10.251   7.650 -11.739
  457    H3   GLY 100           HT3      GLY 100  10.589   8.259 -13.287
  458    HA2  GLY 100           HA1      GLY 100  10.563   6.064 -14.221
  459    HA3  GLY 100           HA2      GLY 100  10.297   5.383 -12.622
  460    H    MET 101           HN       MET 101   8.410   4.400 -13.590
  461    HA   MET 101           HA       MET 101   6.185   6.094 -14.312
  462    HB2  MET 101           HB2      MET 101   6.195   4.057 -15.483
  463    HB3  MET 101           HB1      MET 101   6.602   3.133 -14.044
  464    HG2  MET 101           HG2      MET 101   4.323   2.694 -14.714
  465    HG3  MET 101           HG1      MET 101   4.357   3.521 -13.155
  466    HE1  MET 101           HE1      MET 101   1.738   4.010 -13.464
  467    HE2  MET 101           HE2      MET 101   1.758   3.221 -15.039
  468    HE3  MET 101           HE3      MET 101   1.062   4.831 -14.868
  469    H    ARG 102           HN       ARG 102   7.255   4.200 -11.630
  470    HA   ARG 102           HA       ARG 102   4.795   4.862 -10.153
  471    HB2  ARG 102           HB2      ARG 102   5.055   2.804  -8.977
  472    HB3  ARG 102           HB1      ARG 102   5.326   2.431 -10.682
  473    HG2  ARG 102           HG2      ARG 102   7.791   2.652 -10.218
  474    HG3  ARG 102           HG1      ARG 102   7.363   2.750  -8.499
  475    HD2  ARG 102           HD2      ARG 102   7.999   0.485  -9.110
  476    HD3  ARG 102           HD1      ARG 102   6.306   0.563  -8.633
  477    HE   ARG 102           HE       ARG 102   6.896   0.683 -11.486
  478   HH11  ARG 102          HH11      ARG 102   5.803  -1.151  -8.728
  479   HH12  ARG 102          HH12      ARG 102   5.111  -2.433  -9.676
  480   HH21  ARG 102          HH21      ARG 102   5.983  -0.973 -12.765
  481   HH22  ARG 102          HH22      ARG 102   5.218  -2.339 -11.992
  482    HA   PRO 103           HA       PRO 103   7.366   6.655  -6.831
  483    HB2  PRO 103           HB2      PRO 103   5.697   5.927  -4.792
  484    HB3  PRO 103           HB1      PRO 103   5.448   7.386  -5.766
  485    HG2  PRO 103           HG2      PRO 103   4.248   4.674  -5.997
  486    HG3  PRO 103           HG1      PRO 103   3.443   6.226  -6.040
  487    HD2  PRO 103           HD2      PRO 103   3.958   4.937  -8.314
  488    HD3  PRO 103           HD1      PRO 103   4.205   6.697  -8.235
  489    HA   PRO 104           HA       PRO 104   9.034   2.881  -5.034
  490    HB2  PRO 104           HB2      PRO 104  10.328   3.779  -2.958
  491    HB3  PRO 104           HB1      PRO 104  10.660   4.550  -4.521
  492    HG2  PRO 104           HG2      PRO 104   8.758   5.444  -2.369
  493    HG3  PRO 104           HG1      PRO 104  10.046   6.368  -3.120
  494    HD2  PRO 104           HD2      PRO 104   7.453   6.464  -3.944
  495    HD3  PRO 104           HD1      PRO 104   8.815   6.758  -5.036
  496    HA   PRO 105           HA       PRO 105   6.383   1.312  -1.763
  497    HB2  PRO 105           HB2      PRO 105   8.769   0.242  -0.368
  498    HB3  PRO 105           HB1      PRO 105   7.364  -0.621  -0.998
  499    HG2  PRO 105           HG2      PRO 105   9.777  -0.768  -2.176
  500    HG3  PRO 105           HG1      PRO 105   8.265  -0.825  -3.097
  501    HD2  PRO 105           HD2      PRO 105  10.200   1.423  -2.765
  502    HD3  PRO 105           HD1      PRO 105   9.240   0.954  -4.184
  503    HA   PRO 106           HA       PRO 106   6.319   4.530   1.119
  504    HB2  PRO 106           HB2      PRO 106   5.214   3.120   3.282
  505    HB3  PRO 106           HB1      PRO 106   4.313   3.925   1.990
  506    HG2  PRO 106           HG2      PRO 106   5.041   1.053   2.277
  507    HG3  PRO 106           HG1      PRO 106   3.568   1.782   1.612
  508    HD2  PRO 106           HD2      PRO 106   5.446   0.742   0.025
  509    HD3  PRO 106           HD1      PRO 106   4.563   2.212  -0.437
  510    H    GLY 107           HN       GLY 107   7.811   5.363   2.379
  511    HA2  GLY 107           HA2      GLY 107   9.172   4.894   4.495
  512    HA3  GLY 107           HA1      GLY 107   9.763   3.516   3.554
  513    H    ILE 108           HN       ILE 108  11.258   3.774   2.055
  514    HA   ILE 108           HA       ILE 108  13.170   4.689   1.239
  515    HB   ILE 108           HB       ILE 108  12.712   6.204  -0.641
  516   HG12  ILE 108          HG12      ILE 108  10.702   7.326   0.618
  517   HG13  ILE 108          HG11      ILE 108  10.655   7.161  -1.133
  518   HG21  ILE 108          HG21      ILE 108  10.817   4.533  -1.600
  519   HG22  ILE 108          HG22      ILE 108  11.360   3.637  -0.172
  520   HG23  ILE 108          HG23      ILE 108  12.524   4.101  -1.412
  521   HD11  ILE 108          HD11      ILE 108   9.355   5.005  -0.738
  522   HD12  ILE 108          HD12      ILE 108   8.529   6.535  -0.388
  523   HD13  ILE 108          HD13      ILE 108   9.183   5.564   0.934
  524    H    ARG 109           HN       ARG 109  13.139   5.540   3.659
  525    HA   ARG 109           HA       ARG 109  13.278   8.455   3.793
  526    HB2  ARG 109           HB2      ARG 109  13.299   6.274   5.887
  527    HB3  ARG 109           HB1      ARG 109  13.553   7.969   6.270
  528    HG2  ARG 109           HG2      ARG 109  11.368   8.531   5.862
  529    HG3  ARG 109           HG1      ARG 109  11.117   7.185   4.750
  530    HD2  ARG 109           HD2      ARG 109  11.528   6.856   7.718
  531    HD3  ARG 109           HD1      ARG 109   9.941   6.969   6.956
  532    HE   ARG 109           HE       ARG 109  11.805   4.889   6.050
  533   HH11  ARG 109          HH11      ARG 109   8.923   5.720   7.868
  534   HH12  ARG 109          HH12      ARG 109   8.240   4.126   7.730
  535   HH21  ARG 109          HH21      ARG 109  10.898   2.803   5.891
  536   HH22  ARG 109          HH22      ARG 109   9.345   2.476   6.602
  537    H    GLY 110           HN       GLY 110  15.083   8.918   5.712
  538    HA2  GLY 110           HA2      GLY 110  17.603   7.772   4.688
  539    HA3  GLY 110           HA1      GLY 110  17.458   9.369   5.415
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1 -11.626   0.145 -14.990
    2    H2   GLY   1           HT2      GLY   1 -10.495   1.343 -15.387
    3    H3   GLY   1           HT3      GLY   1 -11.815   1.716 -14.387
    4    HA2  GLY   1           HA1      GLY   1  -9.601  -0.140 -13.711
    5    HA3  GLY   1           HA2      GLY   1  -9.788   1.493 -13.091
    6    H    ALA   2           HN       ALA   2 -12.291  -0.965 -13.598
    7    HA   ALA   2           HA       ALA   2 -12.726  -0.970 -10.686
    8    HB1  ALA   2           HB1      ALA   2 -15.133  -0.998 -11.071
    9    HB2  ALA   2           HB2      ALA   2 -14.863  -0.912 -12.813
   10    HB3  ALA   2           HB3      ALA   2 -14.397   0.441 -11.780
   11    H    MET   3           HN       MET   3 -11.397  -2.927 -10.823
   12    HA   MET   3           HA       MET   3 -12.986  -5.259 -11.677
   13    HB2  MET   3           HB2      MET   3 -10.103  -4.690 -11.630
   14    HB3  MET   3           HB1      MET   3 -10.532  -6.267 -10.982
   15    HG2  MET   3           HG2      MET   3 -11.302  -5.220 -13.694
   16    HG3  MET   3           HG1      MET   3 -10.007  -6.366 -13.361
   17    HE1  MET   3           HE1      MET   3 -12.272  -6.968 -15.490
   18    HE2  MET   3           HE2      MET   3 -12.667  -8.642 -15.099
   19    HE3  MET   3           HE3      MET   3 -10.985  -8.107 -15.091
   20    H    GLY   4           HN       GLY   4 -13.264  -3.579  -9.249
   21    HA2  GLY   4           HA2      GLY   4 -13.371  -5.790  -7.355
   22    HA3  GLY   4           HA1      GLY   4 -12.440  -4.376  -6.877
   23    H    THR   5           HN       THR   5 -15.031  -5.649  -5.950
   24    HA   THR   5           HA       THR   5 -17.035  -3.639  -6.450
   25    HB   THR   5           HB       THR   5 -18.258  -4.912  -4.596
   26    HG1  THR   5           HG1      THR   5 -16.333  -6.941  -5.042
   27   HG21  THR   5          HG21      THR   5 -18.799  -6.787  -6.061
   28   HG22  THR   5          HG22      THR   5 -17.355  -6.471  -7.022
   29   HG23  THR   5          HG23      THR   5 -18.668  -5.294  -6.990
   30    H    LYS   6           HN       LYS   6 -15.218  -4.717  -3.594
   31    HA   LYS   6           HA       LYS   6 -14.877  -1.972  -2.734
   32    HB2  LYS   6           HB2      LYS   6 -15.816  -2.223  -0.552
   33    HB3  LYS   6           HB1      LYS   6 -17.048  -2.746  -1.692
   34    HG2  LYS   6           HG2      LYS   6 -16.545  -5.065  -1.225
   35    HG3  LYS   6           HG1      LYS   6 -15.224  -4.589  -0.157
   36    HD2  LYS   6           HD2      LYS   6 -18.148  -3.958   0.250
   37    HD3  LYS   6           HD1      LYS   6 -17.231  -5.193   1.109
   38    HE2  LYS   6           HE2      LYS   6 -16.656  -2.231   1.175
   39    HE3  LYS   6           HE1      LYS   6 -17.517  -3.125   2.426
   40    HZ1  LYS   6           HZ1      LYS   6 -15.310  -2.927   3.165
   41    HZ2  LYS   6           HZ2      LYS   6 -14.664  -3.353   1.660
   42    HZ3  LYS   6           HZ3      LYS   6 -15.444  -4.527   2.607
   43    H    TYR   7           HN       TYR   7 -13.401  -1.955  -0.750
   44    HA   TYR   7           HA       TYR   7 -11.557  -4.241  -0.948
   45    HB2  TYR   7           HB2      TYR   7 -10.848  -1.318  -0.613
   46    HB3  TYR   7           HB1      TYR   7  -9.698  -2.652  -0.625
   47    HD1  TYR   7           HD1      TYR   7 -11.463  -0.272  -2.608
   48    HD2  TYR   7           HD2      TYR   7  -9.581  -4.086  -2.757
   49    HE1  TYR   7           HE1      TYR   7 -11.280  -0.082  -5.054
   50    HE2  TYR   7           HE2      TYR   7  -9.393  -3.904  -5.201
   51    HH   TYR   7           HH       TYR   7  -9.861  -1.014  -6.871
   52    H    ALA   8           HN       ALA   8 -10.047  -4.362   0.953
   53    HA   ALA   8           HA       ALA   8 -10.996  -3.138   3.404
   54    HB1  ALA   8           HB1      ALA   8 -10.931  -6.141   3.151
   55    HB2  ALA   8           HB2      ALA   8 -12.387  -5.153   3.246
   56    HB3  ALA   8           HB3      ALA   8 -11.274  -5.218   4.615
   57    H    VAL   9           HN       VAL   9  -9.593  -4.826   5.159
   58    HA   VAL   9           HA       VAL   9  -6.975  -3.830   4.911
   59    HB   VAL   9           HB       VAL   9  -7.833  -4.274   7.099
   60   HG11  VAL   9          HG11      VAL   9  -8.054  -7.168   6.283
   61   HG12  VAL   9          HG12      VAL   9  -9.394  -6.055   6.559
   62   HG13  VAL   9          HG13      VAL   9  -8.352  -6.529   7.901
   63   HG21  VAL   9          HG21      VAL   9  -6.072  -5.718   8.058
   64   HG22  VAL   9          HG22      VAL   9  -5.445  -4.534   6.910
   65   HG23  VAL   9          HG23      VAL   9  -5.632  -6.219   6.424
   66    HA   PRO  10           HA       PRO  10  -5.457  -6.899   2.049
   67    HB2  PRO  10           HB2      PRO  10  -2.843  -5.677   2.475
   68    HB3  PRO  10           HB1      PRO  10  -3.841  -5.694   1.019
   69    HG2  PRO  10           HG2      PRO  10  -3.413  -3.448   2.466
   70    HG3  PRO  10           HG1      PRO  10  -4.915  -3.741   1.572
   71    HD2  PRO  10           HD2      PRO  10  -4.357  -4.062   4.497
   72    HD3  PRO  10           HD1      PRO  10  -5.793  -3.387   3.693
   73    H    ASP  11           HN       ASP  11  -4.283  -8.780   2.140
   74    HA   ASP  11           HA       ASP  11  -3.516  -9.676   4.778
   75    HB2  ASP  11           HB2      ASP  11  -3.442 -11.113   2.109
   76    HB3  ASP  11           HB1      ASP  11  -3.105 -11.856   3.669
   77    H    THR  12           HN       THR  12  -1.543  -9.482   5.577
   78    HA   THR  12           HA       THR  12   0.540  -8.313   4.061
   79    HB   THR  12           HB       THR  12   1.869  -8.985   6.245
   80    HG1  THR  12           HG1      THR  12   0.367 -10.343   7.181
   81   HG21  THR  12          HG21      THR  12  -0.362  -6.947   6.162
   82   HG22  THR  12          HG22      THR  12   1.298  -6.707   5.611
   83   HG23  THR  12          HG23      THR  12   0.964  -6.957   7.325
   84    H    SER  13           HN       SER  13  -0.473 -11.470   4.178
   85    HA   SER  13           HA       SER  13   2.131 -12.718   4.089
   86    HB2  SER  13           HB2      SER  13   0.256 -13.839   5.208
   87    HB3  SER  13           HB1      SER  13  -0.629 -13.892   3.685
   88    HG   SER  13           HG       SER  13   0.319 -15.761   3.508
   89    H    THR  14           HN       THR  14   0.096 -11.225   1.790
   90    HA   THR  14           HA       THR  14   0.963 -13.004  -0.368
   91    HB   THR  14           HB       THR  14  -0.584 -11.682  -1.800
   92    HG1  THR  14           HG1      THR  14  -1.068  -9.774  -1.020
   93   HG21  THR  14          HG21      THR  14  -1.759 -12.841   0.728
   94   HG22  THR  14          HG22      THR  14  -1.390 -13.713  -0.761
   95   HG23  THR  14          HG23      THR  14  -2.670 -12.500  -0.743
   96    H    TYR  15           HN       TYR  15   2.139 -10.308   1.126
   97    HA   TYR  15           HA       TYR  15   2.933  -8.803  -1.192
   98    HB2  TYR  15           HB2      TYR  15   3.635  -8.580   1.727
   99    HB3  TYR  15           HB1      TYR  15   4.342  -7.540   0.501
  100    HD1  TYR  15           HD1      TYR  15   1.244  -8.398   2.307
  101    HD2  TYR  15           HD2      TYR  15   3.085  -5.757  -0.475
  102    HE1  TYR  15           HE1      TYR  15  -0.700  -6.895   2.446
  103    HE2  TYR  15           HE2      TYR  15   1.153  -4.240  -0.330
  104    HH   TYR  15           HH       TYR  15  -1.214  -4.346   0.265
  105    H    GLN  16           HN       GLN  16   4.894  -8.624  -2.093
  106    HA   GLN  16           HA       GLN  16   6.966 -10.588  -1.448
  107    HB2  GLN  16           HB2      GLN  16   6.358 -10.383  -3.794
  108    HB3  GLN  16           HB1      GLN  16   6.597  -8.644  -3.738
  109    HG2  GLN  16           HG2      GLN  16   8.449  -9.656  -4.858
  110    HG3  GLN  16           HG1      GLN  16   8.988  -9.014  -3.308
  111   HE21  GLN  16          HE21      GLN  16   8.339 -11.884  -5.153
  112   HE22  GLN  16          HE22      GLN  16   9.184 -12.977  -4.099
  113    H    TYR  17           HN       TYR  17   9.167  -9.845  -1.048
  114    HA   TYR  17           HA       TYR  17   9.132  -7.281   0.374
  115    HB2  TYR  17           HB2      TYR  17   9.839  -9.532   1.447
  116    HB3  TYR  17           HB1      TYR  17  11.336  -9.325   0.546
  117    HD1  TYR  17           HD1      TYR  17   9.469  -8.408   3.463
  118    HD2  TYR  17           HD2      TYR  17  12.730  -7.241   0.995
  119    HE1  TYR  17           HE1      TYR  17  10.323  -6.986   5.275
  120    HE2  TYR  17           HE2      TYR  17  13.597  -5.818   2.801
  121    HH   TYR  17           HH       TYR  17  12.480  -4.591   4.861
  122    H    ASP  18           HN       ASP  18   9.758  -5.627  -0.885
  123    HA   ASP  18           HA       ASP  18  11.865  -5.958  -2.854
  124    HB2  ASP  18           HB2      ASP  18  10.107  -4.415  -3.458
  125    HB3  ASP  18           HB1      ASP  18  10.330  -3.500  -1.967
  126    H    GLU  19           HN       GLU  19  13.851  -6.163  -2.122
  127    HA   GLU  19           HA       GLU  19  14.648  -5.330   0.460
  128    HB2  GLU  19           HB2      GLU  19  16.190  -6.433  -1.883
  129    HB3  GLU  19           HB1      GLU  19  16.868  -6.182  -0.284
  130    HG2  GLU  19           HG2      GLU  19  15.310  -7.755   0.674
  131    HG3  GLU  19           HG1      GLU  19  14.510  -7.941  -0.885
  132    H    SER  20           HN       SER  20  14.577  -3.660  -2.519
  133    HA   SER  20           HA       SER  20  16.896  -2.033  -2.123
  134    HB2  SER  20           HB2      SER  20  15.864  -2.416  -4.353
  135    HB3  SER  20           HB1      SER  20  14.459  -1.485  -3.837
  136    HG   SER  20           HG       SER  20  16.861  -0.183  -3.472
  137    H    SER  21           HN       SER  21  13.416  -1.456  -1.685
  138    HA   SER  21           HA       SER  21  13.936   0.980  -0.151
  139    HB2  SER  21           HB2      SER  21  11.479   1.145  -0.128
  140    HB3  SER  21           HB1      SER  21  12.088   0.887  -1.763
  141    HG   SER  21           HG       SER  21  11.430  -1.196  -1.724
  142    H    GLY  22           HN       GLY  22  12.985  -2.360   0.265
  143    HA2  GLY  22           HA2      GLY  22  13.461  -3.623   2.197
  144    HA3  GLY  22           HA1      GLY  22  13.511  -2.138   3.134
  145    H    TYR  23           HN       TYR  23  10.875  -2.828   0.914
  146    HA   TYR  23           HA       TYR  23   9.110  -3.157   3.253
  147    HB2  TYR  23           HB2      TYR  23   8.390  -1.361   0.943
  148    HB3  TYR  23           HB1      TYR  23   7.591  -1.494   2.507
  149    HD1  TYR  23           HD1      TYR  23   9.256  -1.059   4.538
  150    HD2  TYR  23           HD2      TYR  23   9.699   0.513   0.620
  151    HE1  TYR  23           HE1      TYR  23  10.578   0.781   5.452
  152    HE2  TYR  23           HE2      TYR  23  11.033   2.378   1.506
  153    HH   TYR  23           HH       TYR  23  11.367   3.565   3.576
  154    H    TYR  24           HN       TYR  24   6.735  -3.419   2.319
  155    HA   TYR  24           HA       TYR  24   6.933  -5.882   0.765
  156    HB2  TYR  24           HB2      TYR  24   4.834  -4.781   2.626
  157    HB3  TYR  24           HB1      TYR  24   4.557  -6.202   1.628
  158    HD1  TYR  24           HD1      TYR  24   5.832  -8.266   2.032
  159    HD2  TYR  24           HD2      TYR  24   6.222  -4.886   4.582
  160    HE1  TYR  24           HE1      TYR  24   6.878  -9.689   3.740
  161    HE2  TYR  24           HE2      TYR  24   7.268  -6.299   6.303
  162    HH   TYR  24           HH       TYR  24   7.491  -8.558   6.960
  163    H    TYR  25           HN       TYR  25   5.928  -6.240  -1.094
  164    HA   TYR  25           HA       TYR  25   4.135  -4.182  -2.215
  165    HB2  TYR  25           HB2      TYR  25   6.289  -3.986  -3.328
  166    HB3  TYR  25           HB1      TYR  25   6.352  -5.721  -3.599
  167    HD1  TYR  25           HD1      TYR  25   4.352  -6.677  -5.045
  168    HD2  TYR  25           HD2      TYR  25   5.605  -2.621  -5.060
  169    HE1  TYR  25           HE1      TYR  25   3.300  -6.363  -7.243
  170    HE2  TYR  25           HE2      TYR  25   4.576  -2.294  -7.244
  171    HH   TYR  25           HH       TYR  25   2.321  -4.311  -8.531
  172    H    ASP  26           HN       ASP  26   2.162  -5.038  -2.654
  173    HA   ASP  26           HA       ASP  26   1.910  -7.950  -2.780
  174    HB2  ASP  26           HB2      ASP  26   0.336  -6.906  -1.298
  175    HB3  ASP  26           HB1      ASP  26  -0.157  -5.758  -2.539
  176    HA   PRO  27           HA       PRO  27   1.919  -7.585  -7.245
  177    HB2  PRO  27           HB2      PRO  27   1.422 -10.483  -7.084
  178    HB3  PRO  27           HB1      PRO  27   2.749  -9.614  -7.860
  179    HG2  PRO  27           HG2      PRO  27   3.122 -11.023  -5.606
  180    HG3  PRO  27           HG1      PRO  27   3.992  -9.506  -5.915
  181    HD2  PRO  27           HD2      PRO  27   1.605 -10.003  -4.175
  182    HD3  PRO  27           HD1      PRO  27   3.028  -8.985  -3.869
  183    H    THR  28           HN       THR  28  -0.506  -8.955  -5.188
  184    HA   THR  28           HA       THR  28  -2.361  -9.766  -7.159
  185    HB   THR  28           HB       THR  28  -3.219  -8.911  -4.447
  186    HG1  THR  28           HG1      THR  28  -1.629 -10.090  -3.663
  187   HG21  THR  28          HG21      THR  28  -3.880 -11.286  -6.184
  188   HG22  THR  28          HG22      THR  28  -4.878  -9.850  -5.968
  189   HG23  THR  28          HG23      THR  28  -4.596 -10.939  -4.611
  190    H    THR  29           HN       THR  29  -2.421  -6.967  -4.962
  191    HA   THR  29           HA       THR  29  -4.402  -5.708  -6.722
  192    HB   THR  29           HB       THR  29  -4.750  -4.135  -4.809
  193    HG1  THR  29           HG1      THR  29  -2.950  -5.952  -3.508
  194   HG21  THR  29          HG21      THR  29  -6.192  -6.090  -5.129
  195   HG22  THR  29          HG22      THR  29  -5.963  -5.741  -3.415
  196   HG23  THR  29          HG23      THR  29  -5.083  -7.070  -4.171
  197    H    GLY  30           HN       GLY  30  -1.120  -5.644  -6.102
  198    HA2  GLY  30           HA2      GLY  30   0.528  -4.303  -7.001
  199    HA3  GLY  30           HA1      GLY  30  -0.730  -3.329  -7.751
  200    H    LEU  31           HN       LEU  31  -0.767  -3.964  -4.339
  201    HA   LEU  31           HA       LEU  31  -0.363  -1.114  -3.873
  202    HB2  LEU  31           HB2      LEU  31  -1.792  -3.258  -2.425
  203    HB3  LEU  31           HB1      LEU  31  -1.028  -2.029  -1.435
  204    HG   LEU  31           HG       LEU  31  -2.282  -0.331  -2.903
  205   HD11  LEU  31          HD11      LEU  31  -4.363  -1.156  -3.880
  206   HD12  LEU  31          HD12      LEU  31  -3.866  -2.809  -3.529
  207   HD13  LEU  31          HD13      LEU  31  -2.947  -1.836  -4.676
  208   HD21  LEU  31          HD21      LEU  31  -4.275  -0.495  -1.511
  209   HD22  LEU  31          HD22      LEU  31  -2.815  -0.782  -0.564
  210   HD23  LEU  31          HD23      LEU  31  -3.828  -2.140  -1.054
  211    H    TYR  32           HN       TYR  32   1.174  -0.283  -2.722
  212    HA   TYR  32           HA       TYR  32   3.367  -1.931  -1.740
  213    HB2  TYR  32           HB2      TYR  32   2.962   1.062  -2.012
  214    HB3  TYR  32           HB1      TYR  32   4.409   0.335  -1.342
  215    HD1  TYR  32           HD1      TYR  32   2.410  -0.561  -4.324
  216    HD2  TYR  32           HD2      TYR  32   6.156   0.771  -2.864
  217    HE1  TYR  32           HE1      TYR  32   3.301  -0.720  -6.584
  218    HE2  TYR  32           HE2      TYR  32   7.085   0.643  -5.133
  219    HH   TYR  32           HH       TYR  32   6.625  -0.563  -7.236
  220    H    TYR  33           HN       TYR  33   3.854  -2.071   0.502
  221    HA   TYR  33           HA       TYR  33   2.254  -0.414   2.313
  222    HB2  TYR  33           HB2      TYR  33   0.924  -2.401   2.253
  223    HB3  TYR  33           HB1      TYR  33   2.344  -3.432   2.414
  224    HD1  TYR  33           HD1      TYR  33   0.682  -0.633   4.274
  225    HD2  TYR  33           HD2      TYR  33   2.730  -4.355   4.494
  226    HE1  TYR  33           HE1      TYR  33   0.372  -0.652   6.711
  227    HE2  TYR  33           HE2      TYR  33   2.428  -4.383   6.933
  228    HH   TYR  33           HH       TYR  33   1.944  -2.992   8.762
  229    H    ASP  34           HN       ASP  34   3.407   0.420   3.895
  230    HA   ASP  34           HA       ASP  34   5.714  -1.134   4.883
  231    HB2  ASP  34           HB2      ASP  34   6.709   0.757   3.881
  232    HB3  ASP  34           HB1      ASP  34   5.463   1.840   4.495
  233    HA   PRO  35           HA       PRO  35   3.245  -1.154   8.584
  234    HB2  PRO  35           HB2      PRO  35   5.687  -2.277   9.780
  235    HB3  PRO  35           HB1      PRO  35   4.073  -2.976   9.661
  236    HG2  PRO  35           HG2      PRO  35   6.123  -3.891   8.189
  237    HG3  PRO  35           HG1      PRO  35   4.464  -3.846   7.563
  238    HD2  PRO  35           HD2      PRO  35   6.747  -1.986   7.026
  239    HD3  PRO  35           HD1      PRO  35   5.525  -2.627   5.906
  240    H    ASN  36           HN       ASN  36   6.365   0.344   8.166
  241    HA   ASN  36           HA       ASN  36   6.507   1.414  10.841
  242    HB2  ASN  36           HB2      ASN  36   8.132   2.055   8.369
  243    HB3  ASN  36           HB1      ASN  36   8.483   2.650   9.989
  244   HD21  ASN  36          HD21      ASN  36   8.550  -0.069   7.846
  245   HD22  ASN  36          HD22      ASN  36   9.518  -1.101   8.860
  246    H    SER  37           HN       SER  37   5.832   2.741   7.611
  247    HA   SER  37           HA       SER  37   5.137   5.312   8.821
  248    HB2  SER  37           HB2      SER  37   5.092   4.615   5.889
  249    HB3  SER  37           HB1      SER  37   5.241   6.209   6.627
  250    HG   SER  37           HG       SER  37   7.151   4.112   6.537
  251    H    GLN  38           HN       GLN  38   3.682   2.467   7.730
  252    HA   GLN  38           HA       GLN  38   1.571   1.709   7.851
  253    HB2  GLN  38           HB2      GLN  38   1.042   4.374   9.147
  254    HB3  GLN  38           HB1      GLN  38  -0.169   3.109   8.988
  255    HG2  GLN  38           HG2      GLN  38   1.324   1.597  10.262
  256    HG3  GLN  38           HG1      GLN  38   2.417   2.957  10.513
  257   HE21  GLN  38          HE21      GLN  38   0.912   1.330  12.425
  258   HE22  GLN  38          HE22      GLN  38  -0.040   2.447  13.348
  259    H    TYR  39           HN       TYR  39   2.496   3.845   5.634
  260    HA   TYR  39           HA       TYR  39  -0.223   4.118   4.591
  261    HB2  TYR  39           HB2      TYR  39   0.467   5.867   3.135
  262    HB3  TYR  39           HB1      TYR  39   1.115   6.226   4.723
  263    HD1  TYR  39           HD1      TYR  39   1.859   5.540   1.242
  264    HD2  TYR  39           HD2      TYR  39   3.545   6.039   5.114
  265    HE1  TYR  39           HE1      TYR  39   4.088   5.762   0.235
  266    HE2  TYR  39           HE2      TYR  39   5.794   6.285   4.129
  267    HH   TYR  39           HH       TYR  39   6.829   5.346   1.711
  268    H    TYR  40           HN       TYR  40  -0.569   3.831   2.351
  269    HA   TYR  40           HA       TYR  40   0.892   1.516   1.275
  270    HB2  TYR  40           HB2      TYR  40  -2.026   2.265   0.945
  271    HB3  TYR  40           HB1      TYR  40  -1.241   0.892   0.182
  272    HD1  TYR  40           HD1      TYR  40  -2.113   2.294   3.525
  273    HD2  TYR  40           HD2      TYR  40  -1.213  -1.177   1.238
  274    HE1  TYR  40           HE1      TYR  40  -2.756   0.880   5.431
  275    HE2  TYR  40           HE2      TYR  40  -1.848  -2.600   3.138
  276    HH   TYR  40           HH       TYR  40  -2.046  -2.429   5.592
  277    H    TYR  41           HN       TYR  41   0.619   1.421  -1.206
  278    HA   TYR  41           HA       TYR  41  -0.429   3.778  -2.407
  279    HB2  TYR  41           HB2      TYR  41   1.414   4.953  -2.798
  280    HB3  TYR  41           HB1      TYR  41   2.331   3.792  -1.867
  281    HD1  TYR  41           HD1      TYR  41   0.833   3.572  -5.293
  282    HD2  TYR  41           HD2      TYR  41   4.393   3.519  -2.936
  283    HE1  TYR  41           HE1      TYR  41   2.155   3.092  -7.281
  284    HE2  TYR  41           HE2      TYR  41   5.716   3.035  -4.938
  285    HH   TYR  41           HH       TYR  41   4.203   2.853  -8.115
  286    H    ASN  42           HN       ASN  42  -1.439   3.286  -4.207
  287    HA   ASN  42           HA       ASN  42  -1.082   0.588  -5.266
  288    HB2  ASN  42           HB2      ASN  42  -3.366   1.140  -4.719
  289    HB3  ASN  42           HB1      ASN  42  -3.277   2.626  -5.659
  290   HD21  ASN  42          HD21      ASN  42  -3.495  -0.853  -5.809
  291   HD22  ASN  42          HD22      ASN  42  -3.978  -0.940  -7.465
  292    H    SER  43           HN       SER  43   0.276   0.355  -6.896
  293    HA   SER  43           HA       SER  43   1.058   2.680  -8.425
  294    HB2  SER  43           HB2      SER  43   2.853   1.302  -7.665
  295    HB3  SER  43           HB1      SER  43   2.109  -0.156  -8.351
  296    HG   SER  43           HG       SER  43   2.325   1.357 -10.393
  297    H    LEU  44           HN       LEU  44  -1.401   0.517  -8.746
  298    HA   LEU  44           HA       LEU  44  -1.371   0.263 -11.605
  299    HB2  LEU  44           HB2      LEU  44  -3.618  -0.060  -9.615
  300    HB3  LEU  44           HB1      LEU  44  -3.751  -0.415 -11.327
  301    HG   LEU  44           HG       LEU  44  -1.961  -1.826  -9.351
  302   HD11  LEU  44          HD11      LEU  44  -4.415  -2.750 -10.837
  303   HD12  LEU  44          HD12      LEU  44  -4.320  -2.392  -9.112
  304   HD13  LEU  44          HD13      LEU  44  -3.409  -3.747  -9.785
  305   HD21  LEU  44          HD21      LEU  44  -2.375  -2.342 -12.293
  306   HD22  LEU  44          HD22      LEU  44  -1.411  -3.326 -11.192
  307   HD23  LEU  44          HD23      LEU  44  -0.919  -1.672 -11.559
  308    H    THR  45           HN       THR  45  -2.955   2.366  -9.248
  309    HA   THR  45           HA       THR  45  -3.910   4.108 -11.384
  310    HB   THR  45           HB       THR  45  -4.923   5.424  -9.494
  311    HG1  THR  45           HG1      THR  45  -4.323   3.179  -7.868
  312   HG21  THR  45          HG21      THR  45  -6.240   3.763 -10.715
  313   HG22  THR  45          HG22      THR  45  -6.688   3.788  -9.010
  314   HG23  THR  45          HG23      THR  45  -5.661   2.498  -9.634
  315    H    GLN  46           HN       GLN  46  -1.202   3.682  -9.521
  316    HA   GLN  46           HA       GLN  46   0.756   4.795  -9.333
  317    HB2  GLN  46           HB2      GLN  46   0.294   5.326 -11.738
  318    HB3  GLN  46           HB1      GLN  46  -0.453   6.826 -11.216
  319    HG2  GLN  46           HG2      GLN  46   1.676   7.540 -10.246
  320    HG3  GLN  46           HG1      GLN  46   2.420   6.040 -10.804
  321   HE21  GLN  46          HE21      GLN  46   2.982   8.851 -11.446
  322   HE22  GLN  46          HE22      GLN  46   2.896   8.960 -13.176
  323    H    GLN  47           HN       GLN  47  -0.825   5.092  -7.239
  324    HA   GLN  47           HA       GLN  47  -0.474   7.897  -6.457
  325    HB2  GLN  47           HB2      GLN  47  -3.018   6.295  -6.180
  326    HB3  GLN  47           HB1      GLN  47  -2.716   7.798  -5.315
  327    HG2  GLN  47           HG2      GLN  47  -2.480   8.965  -7.470
  328    HG3  GLN  47           HG1      GLN  47  -2.861   7.457  -8.301
  329   HE21  GLN  47          HE21      GLN  47  -4.962   6.646  -8.195
  330   HE22  GLN  47          HE22      GLN  47  -6.306   7.646  -7.756
  331    H    TYR  48           HN       TYR  48   0.119   8.214  -4.387
  332    HA   TYR  48           HA       TYR  48   0.611   6.016  -2.599
  333    HB2  TYR  48           HB2      TYR  48   0.998   8.959  -2.589
  334    HB3  TYR  48           HB1      TYR  48   0.780   8.210  -1.018
  335    HD1  TYR  48           HD1      TYR  48   2.949   8.965  -0.350
  336    HD2  TYR  48           HD2      TYR  48   2.581   6.305  -3.653
  337    HE1  TYR  48           HE1      TYR  48   5.332   8.464  -0.216
  338    HE2  TYR  48           HE2      TYR  48   4.966   5.811  -3.549
  339    HH   TYR  48           HH       TYR  48   6.866   6.541  -0.924
  340    H    LEU  49           HN       LEU  49  -0.711   5.303  -0.961
  341    HA   LEU  49           HA       LEU  49  -3.312   6.651  -0.567
  342    HB2  LEU  49           HB2      LEU  49  -2.818   3.828  -1.470
  343    HB3  LEU  49           HB1      LEU  49  -4.260   4.233  -0.566
  344    HG   LEU  49           HG       LEU  49  -4.213   6.116  -2.599
  345   HD11  LEU  49          HD11      LEU  49  -3.943   4.837  -4.639
  346   HD12  LEU  49          HD12      LEU  49  -3.441   3.433  -3.696
  347   HD13  LEU  49          HD13      LEU  49  -2.437   4.887  -3.720
  348   HD21  LEU  49          HD21      LEU  49  -6.170   4.947  -1.728
  349   HD22  LEU  49          HD22      LEU  49  -5.648   3.475  -2.548
  350   HD23  LEU  49          HD23      LEU  49  -6.104   4.895  -3.490
  351    H    TYR  50           HN       TYR  50  -4.559   5.428   1.249
  352    HA   TYR  50           HA       TYR  50  -2.955   3.682   2.898
  353    HB2  TYR  50           HB2      TYR  50  -3.419   4.909   5.003
  354    HB3  TYR  50           HB1      TYR  50  -2.361   5.795   3.920
  355    HD1  TYR  50           HD1      TYR  50  -5.601   5.741   5.591
  356    HD2  TYR  50           HD2      TYR  50  -3.166   7.834   2.797
  357    HE1  TYR  50           HE1      TYR  50  -7.053   7.714   5.808
  358    HE2  TYR  50           HE2      TYR  50  -4.614   9.810   3.003
  359    HH   TYR  50           HH       TYR  50  -6.991  10.100   5.467
  360    H    TRP  51           HN       TRP  51  -4.218   2.338   4.258
  361    HA   TRP  51           HA       TRP  51  -6.904   1.966   3.326
  362    HB2  TRP  51           HB2      TRP  51  -5.611  -0.014   3.912
  363    HB3  TRP  51           HB1      TRP  51  -5.372   0.592   5.534
  364    HD1  TRP  51           HD1      TRP  51  -6.762  -0.872   7.151
  365    HE1  TRP  51           HE1      TRP  51  -9.154  -1.809   7.161
  366    HE3  TRP  51           HE3      TRP  51  -8.205   0.673   2.544
  367    HZ2  TRP  51           HZ2      TRP  51 -11.382  -1.878   5.397
  368    HZ3  TRP  51           HZ3      TRP  51 -10.435   0.140   1.780
  369    HH2  TRP  51           HH2      TRP  51 -12.012  -1.116   3.159
  370    H    ASP  52           HN       ASP  52  -8.251   3.523   3.863
  371    HA   ASP  52           HA       ASP  52  -8.158   4.994   6.278
  372    HB2  ASP  52           HB2      ASP  52  -9.081   6.000   4.300
  373    HB3  ASP  52           HB1      ASP  52 -10.288   4.727   4.151
  374    H    GLY  53           HN       GLY  53 -10.205   2.356   5.135
  375    HA2  GLY  53           HA2      GLY  53 -11.116   0.653   6.445
  376    HA3  GLY  53           HA1      GLY  53 -10.694   1.565   7.886
  377    H    GLU  54           HN       GLU  54 -11.917   3.962   7.417
  378    HA   GLU  54           HA       GLU  54 -14.566   3.406   8.225
  379    HB2  GLU  54           HB2      GLU  54 -13.000   5.476   8.641
  380    HB3  GLU  54           HB1      GLU  54 -13.714   6.080   7.157
  381    HG2  GLU  54           HG2      GLU  54 -15.341   5.233   9.534
  382    HG3  GLU  54           HG1      GLU  54 -14.747   6.873   9.308
  383    H    LYS  55           HN       LYS  55 -13.210   4.758   5.217
  384    HA   LYS  55           HA       LYS  55 -15.779   4.860   3.917
  385    HB2  LYS  55           HB2      LYS  55 -13.098   5.039   2.547
  386    HB3  LYS  55           HB1      LYS  55 -14.630   5.708   2.011
  387    HG2  LYS  55           HG2      LYS  55 -12.927   6.645   4.302
  388    HG3  LYS  55           HG1      LYS  55 -13.265   7.492   2.794
  389    HD2  LYS  55           HD2      LYS  55 -15.604   7.704   3.413
  390    HD3  LYS  55           HD1      LYS  55 -15.310   6.798   4.900
  391    HE2  LYS  55           HE2      LYS  55 -13.651   8.572   5.531
  392    HE3  LYS  55           HE1      LYS  55 -14.217   9.502   4.143
  393    HZ1  LYS  55           HZ1      LYS  55 -15.310  10.167   6.200
  394    HZ2  LYS  55           HZ2      LYS  55 -15.908   8.598   6.411
  395    HZ3  LYS  55           HZ3      LYS  55 -16.426   9.532   5.095
  396    H    GLU  56           HN       GLU  56 -13.890   2.293   4.643
  397    HA   GLU  56           HA       GLU  56 -13.639   0.161   3.915
  398    HB2  GLU  56           HB2      GLU  56 -16.183   0.814   2.428
  399    HB3  GLU  56           HB1      GLU  56 -15.502  -0.800   2.592
  400    HG2  GLU  56           HG2      GLU  56 -16.255   0.899   4.945
  401    HG3  GLU  56           HG1      GLU  56 -17.370  -0.225   4.167
  402    H    THR  57           HN       THR  57 -12.375   2.317   2.351
  403    HA   THR  57           HA       THR  57 -11.535   0.631   0.171
  404    HB   THR  57           HB       THR  57 -13.467   1.910  -0.792
  405    HG1  THR  57           HG1      THR  57 -12.326   2.420  -2.687
  406   HG21  THR  57          HG21      THR  57 -11.654   4.289  -0.359
  407   HG22  THR  57          HG22      THR  57 -13.195   3.999   0.448
  408   HG23  THR  57          HG23      THR  57 -13.153   4.296  -1.290
  409    H    TYR  58           HN       TYR  58  -9.725   1.781  -1.067
  410    HA   TYR  58           HA       TYR  58  -7.886   2.863   0.904
  411    HB2  TYR  58           HB2      TYR  58  -7.462   2.163  -2.015
  412    HB3  TYR  58           HB1      TYR  58  -6.186   2.595  -0.882
  413    HD1  TYR  58           HD1      TYR  58  -6.279   1.053   1.362
  414    HD2  TYR  58           HD2      TYR  58  -7.713  -0.055  -2.487
  415    HE1  TYR  58           HE1      TYR  58  -6.051  -1.322   1.962
  416    HE2  TYR  58           HE2      TYR  58  -7.491  -2.427  -1.896
  417    HH   TYR  58           HH       TYR  58  -7.103  -3.512   1.230
  418    H    VAL  59           HN       VAL  59  -7.363   4.976   1.069
  419    HA   VAL  59           HA       VAL  59  -8.276   6.743  -1.099
  420    HB   VAL  59           HB       VAL  59  -8.433   8.546   0.657
  421   HG11  VAL  59          HG11      VAL  59 -10.411   7.442  -0.246
  422   HG12  VAL  59          HG12      VAL  59 -10.624   7.809   1.467
  423   HG13  VAL  59          HG13      VAL  59 -10.258   6.159   0.956
  424   HG21  VAL  59          HG21      VAL  59  -8.716   7.809   2.990
  425   HG22  VAL  59          HG22      VAL  59  -7.083   7.529   2.390
  426   HG23  VAL  59          HG23      VAL  59  -8.216   6.185   2.521
  427    HA   PRO  60           HA       PRO  60  -3.972   7.762  -1.485
  428    HB2  PRO  60           HB2      PRO  60  -4.851   9.806  -3.368
  429    HB3  PRO  60           HB1      PRO  60  -3.943   8.325  -3.677
  430    HG2  PRO  60           HG2      PRO  60  -6.498   8.669  -4.500
  431    HG3  PRO  60           HG1      PRO  60  -5.841   7.084  -4.049
  432    HD2  PRO  60           HD2      PRO  60  -7.537   8.951  -2.439
  433    HD3  PRO  60           HD1      PRO  60  -7.669   7.190  -2.620
  434    H    ALA  61           HN       ALA  61  -2.576   9.391  -0.906
  435    HA   ALA  61           HA       ALA  61  -3.696  11.463   0.787
  436    HB1  ALA  61           HB1      ALA  61  -1.778  10.149   1.563
  437    HB2  ALA  61           HB2      ALA  61  -1.394  11.866   1.474
  438    HB3  ALA  61           HB3      ALA  61  -0.814  10.766   0.223
  439    H    ALA  62           HN       ALA  62  -4.543  12.081  -1.608
  440    HA   ALA  62           HA       ALA  62  -4.663  13.681  -3.216
  441    HB1  ALA  62           HB1      ALA  62  -4.611  15.143  -1.262
  442    HB2  ALA  62           HB2      ALA  62  -3.821  15.893  -2.651
  443    HB3  ALA  62           HB3      ALA  62  -2.849  15.200  -1.352
  444    H    GLU  63           HN       GLU  63  -2.636  11.685  -3.600
  445    HA   GLU  63           HA       GLU  63  -0.172  12.821  -4.384
  446    HB2  GLU  63           HB2      GLU  63  -0.468  10.425  -3.842
  447    HB3  GLU  63           HB1      GLU  63  -1.420  10.227  -5.306
  448    HG2  GLU  63           HG2      GLU  63   0.841   9.440  -5.644
  449    HG3  GLU  63           HG1      GLU  63   0.521  10.848  -6.656
  450    H    SER  64           HN       SER  64   0.033  14.259  -5.939
  451    HA   SER  64           HA       SER  64  -1.666  14.022  -8.327
  452    HB2  SER  64           HB2      SER  64  -0.343  16.513  -7.220
  453    HB3  SER  64           HB1      SER  64  -1.471  16.435  -8.575
  454    HG   SER  64           HG       SER  64  -2.230  15.422  -6.059
  455    H1   GLY 100           HT1      GLY 100  11.663   4.269 -12.961
  456    H2   GLY 100           HT2      GLY 100  10.646   5.127 -11.907
  457    H3   GLY 100           HT3      GLY 100  11.377   5.923 -13.215
  458    HA2  GLY 100           HA1      GLY 100  10.102   4.639 -14.783
  459    HA3  GLY 100           HA2      GLY 100   9.382   3.738 -13.455
  460    H    MET 101           HN       MET 101   7.280   4.365 -13.988
  461    HA   MET 101           HA       MET 101   6.623   7.200 -14.046
  462    HB2  MET 101           HB2      MET 101   4.384   6.507 -14.620
  463    HB3  MET 101           HB1      MET 101   5.508   5.565 -15.590
  464    HG2  MET 101           HG2      MET 101   5.235   3.660 -14.114
  465    HG3  MET 101           HG1      MET 101   4.173   4.594 -13.058
  466    HE1  MET 101           HE1      MET 101   4.589   2.841 -16.544
  467    HE2  MET 101           HE2      MET 101   4.318   4.519 -17.003
  468    HE3  MET 101           HE3      MET 101   3.097   3.301 -17.364
  469    H    ARG 102           HN       ARG 102   6.769   4.634 -11.862
  470    HA   ARG 102           HA       ARG 102   4.617   5.670 -10.181
  471    HB2  ARG 102           HB2      ARG 102   4.508   3.492  -9.215
  472    HB3  ARG 102           HB1      ARG 102   4.655   3.268 -10.958
  473    HG2  ARG 102           HG2      ARG 102   7.185   3.062 -10.476
  474    HG3  ARG 102           HG1      ARG 102   6.668   2.800  -8.799
  475    HD2  ARG 102           HD2      ARG 102   6.920   0.660  -9.857
  476    HD3  ARG 102           HD1      ARG 102   5.199   0.960  -9.622
  477    HE   ARG 102           HE       ARG 102   6.309   1.655 -12.227
  478   HH11  ARG 102          HH11      ARG 102   4.491  -0.617 -10.287
  479   HH12  ARG 102          HH12      ARG 102   3.826  -1.463 -11.644
  480   HH21  ARG 102          HH21      ARG 102   5.441   0.552 -14.034
  481   HH22  ARG 102          HH22      ARG 102   4.370  -0.798 -13.789
  482    HA   PRO 103           HA       PRO 103   7.399   6.783  -6.806
  483    HB2  PRO 103           HB2      PRO 103   5.770   6.014  -4.761
  484    HB3  PRO 103           HB1      PRO 103   5.567   7.543  -5.635
  485    HG2  PRO 103           HG2      PRO 103   4.210   4.917  -5.997
  486    HG3  PRO 103           HG1      PRO 103   3.482   6.504  -5.895
  487    HD2  PRO 103           HD2      PRO 103   3.844   5.364  -8.268
  488    HD3  PRO 103           HD1      PRO 103   4.190   7.098  -8.071
  489    HA   PRO 104           HA       PRO 104   8.896   2.816  -5.210
  490    HB2  PRO 104           HB2      PRO 104  10.379   3.595  -3.227
  491    HB3  PRO 104           HB1      PRO 104  10.648   4.397  -4.788
  492    HG2  PRO 104           HG2      PRO 104   8.947   5.308  -2.484
  493    HG3  PRO 104           HG1      PRO 104  10.224   6.194  -3.295
  494    HD2  PRO 104           HD2      PRO 104   7.570   6.418  -3.928
  495    HD3  PRO 104           HD1      PRO 104   8.866   6.728  -5.088
  496    HA   PRO 105           HA       PRO 105   6.358   1.370  -1.826
  497    HB2  PRO 105           HB2      PRO 105   8.722   0.228  -0.452
  498    HB3  PRO 105           HB1      PRO 105   7.287  -0.591  -1.079
  499    HG2  PRO 105           HG2      PRO 105   9.669  -0.821  -2.284
  500    HG3  PRO 105           HG1      PRO 105   8.160  -0.774  -3.201
  501    HD2  PRO 105           HD2      PRO 105  10.173   1.393  -2.761
  502    HD3  PRO 105           HD1      PRO 105   9.275   0.975  -4.236
  503    HA   PRO 106           HA       PRO 106   6.300   4.507   1.084
  504    HB2  PRO 106           HB2      PRO 106   5.325   3.023   3.269
  505    HB3  PRO 106           HB1      PRO 106   4.362   3.859   2.049
  506    HG2  PRO 106           HG2      PRO 106   5.087   0.991   2.252
  507    HG3  PRO 106           HG1      PRO 106   3.619   1.741   1.600
  508    HD2  PRO 106           HD2      PRO 106   5.511   0.705   0.011
  509    HD3  PRO 106           HD1      PRO 106   4.591   2.152  -0.450
  510    H    GLY 107           HN       GLY 107   7.799   5.414   2.312
  511    HA2  GLY 107           HA2      GLY 107   9.242   5.106   4.354
  512    HA3  GLY 107           HA1      GLY 107   9.752   3.599   3.581
  513    H    ILE 108           HN       ILE 108  11.144   3.608   1.937
  514    HA   ILE 108           HA       ILE 108  13.153   4.235   1.103
  515    HB   ILE 108           HB       ILE 108  12.927   5.781  -0.803
  516   HG12  ILE 108          HG12      ILE 108  11.039   7.149   0.390
  517   HG13  ILE 108          HG11      ILE 108  10.992   6.949  -1.356
  518   HG21  ILE 108          HG21      ILE 108  10.977   4.336  -1.859
  519   HG22  ILE 108          HG22      ILE 108  11.167   3.441  -0.345
  520   HG23  ILE 108          HG23      ILE 108  12.540   3.631  -1.432
  521   HD11  ILE 108          HD11      ILE 108   9.427   5.006  -0.973
  522   HD12  ILE 108          HD12      ILE 108   8.796   6.613  -0.565
  523   HD13  ILE 108          HD13      ILE 108   9.345   5.532   0.717
  524    H    ARG 109           HN       ARG 109  13.088   5.209   3.548
  525    HA   ARG 109           HA       ARG 109  13.813   8.038   3.506
  526    HB2  ARG 109           HB2      ARG 109  13.306   6.078   5.749
  527    HB3  ARG 109           HB1      ARG 109  13.844   7.730   6.009
  528    HG2  ARG 109           HG2      ARG 109  11.825   8.633   5.365
  529    HG3  ARG 109           HG1      ARG 109  11.384   7.222   4.404
  530    HD2  ARG 109           HD2      ARG 109  10.040   7.402   6.446
  531    HD3  ARG 109           HD1      ARG 109  11.005   5.929   6.410
  532    HE   ARG 109           HE       ARG 109  12.598   7.473   7.837
  533   HH11  ARG 109          HH11      ARG 109   9.108   7.217   8.017
  534   HH12  ARG 109          HH12      ARG 109   9.052   7.485   9.736
  535   HH21  ARG 109          HH21      ARG 109  12.522   7.822  10.104
  536   HH22  ARG 109          HH22      ARG 109  10.981   7.855  10.906
  537    H    GLY 110           HN       GLY 110  15.868   8.643   3.423
  538    HA2  GLY 110           HA2      GLY 110  17.957   6.677   4.038
  539    HA3  GLY 110           HA1      GLY 110  18.180   8.195   3.175
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1 -13.842 -11.490   6.119
    2    H2   GLY   1           HT2      GLY   1 -13.353 -13.109   6.229
    3    H3   GLY   1           HT3      GLY   1 -14.310 -12.431   7.449
    4    HA2  GLY   1           HA1      GLY   1 -15.689 -13.810   6.097
    5    HA3  GLY   1           HA2      GLY   1 -16.128 -12.124   5.860
    6    H    ALA   2           HN       ALA   2 -16.734 -11.911   3.806
    7    HA   ALA   2           HA       ALA   2 -15.291 -13.400   1.737
    8    HB1  ALA   2           HB1      ALA   2 -17.733 -13.616   1.815
    9    HB2  ALA   2           HB2      ALA   2 -17.178 -12.906   0.299
   10    HB3  ALA   2           HB3      ALA   2 -17.887 -11.880   1.545
   11    H    MET   3           HN       MET   3 -13.732 -12.426   0.684
   12    HA   MET   3           HA       MET   3 -13.909  -9.513   0.227
   13    HB2  MET   3           HB2      MET   3 -11.457 -11.271   0.430
   14    HB3  MET   3           HB1      MET   3 -11.435  -9.570  -0.006
   15    HG2  MET   3           HG2      MET   3 -12.375  -9.022   2.198
   16    HG3  MET   3           HG1      MET   3 -12.300 -10.731   2.628
   17    HE1  MET   3           HE1      MET   3  -9.380  -9.215   4.758
   18    HE2  MET   3           HE2      MET   3 -10.870 -10.160   4.785
   19    HE3  MET   3           HE3      MET   3 -10.922  -8.442   4.391
   20    H    GLY   4           HN       GLY   4 -14.671  -9.237  -1.782
   21    HA2  GLY   4           HA2      GLY   4 -14.292 -11.076  -3.909
   22    HA3  GLY   4           HA1      GLY   4 -14.872  -9.423  -4.065
   23    H    THR   5           HN       THR   5 -13.042  -7.747  -3.678
   24    HA   THR   5           HA       THR   5 -10.751  -8.613  -5.304
   25    HB   THR   5           HB       THR   5 -11.993  -6.765  -6.277
   26    HG1  THR   5           HG1      THR   5  -9.391  -6.316  -5.305
   27   HG21  THR   5          HG21      THR   5 -11.383  -5.268  -3.726
   28   HG22  THR   5          HG22      THR   5 -12.974  -5.814  -4.257
   29   HG23  THR   5          HG23      THR   5 -12.114  -4.573  -5.170
   30    H    LYS   6           HN       LYS   6 -11.574  -8.173  -2.181
   31    HA   LYS   6           HA       LYS   6 -10.453  -8.083  -0.220
   32    HB2  LYS   6           HB2      LYS   6  -7.984  -8.510  -1.908
   33    HB3  LYS   6           HB1      LYS   6  -8.084  -8.708  -0.165
   34    HG2  LYS   6           HG2      LYS   6  -9.740 -10.517  -0.512
   35    HG3  LYS   6           HG1      LYS   6  -9.498 -10.355  -2.251
   36    HD2  LYS   6           HD2      LYS   6  -8.035 -12.052  -1.811
   37    HD3  LYS   6           HD1      LYS   6  -6.965 -10.671  -1.580
   38    HE2  LYS   6           HE2      LYS   6  -8.426 -12.155   0.606
   39    HE3  LYS   6           HE1      LYS   6  -6.720 -12.337   0.207
   40    HZ1  LYS   6           HZ1      LYS   6  -6.723 -10.892   1.996
   41    HZ2  LYS   6           HZ2      LYS   6  -8.092 -10.046   1.462
   42    HZ3  LYS   6           HZ3      LYS   6  -6.609  -9.834   0.675
   43    H    TYR   7           HN       TYR   7 -11.052  -5.636  -1.457
   44    HA   TYR   7           HA       TYR   7  -8.715  -3.925  -1.138
   45    HB2  TYR   7           HB2      TYR   7 -11.370  -3.665  -2.363
   46    HB3  TYR   7           HB1      TYR   7 -10.836  -2.226  -1.509
   47    HD1  TYR   7           HD1      TYR   7  -9.994  -0.644  -2.933
   48    HD2  TYR   7           HD2      TYR   7  -9.132  -4.735  -3.716
   49    HE1  TYR   7           HE1      TYR   7  -8.621   0.024  -4.859
   50    HE2  TYR   7           HE2      TYR   7  -7.754  -4.081  -5.645
   51    HH   TYR   7           HH       TYR   7  -7.553  -2.180  -7.203
   52    H    ALA   8           HN       ALA   8  -9.091  -5.038   1.226
   53    HA   ALA   8           HA       ALA   8  -9.851  -2.737   2.814
   54    HB1  ALA   8           HB1      ALA   8 -11.051  -5.447   3.355
   55    HB2  ALA   8           HB2      ALA   8 -11.913  -3.996   2.840
   56    HB3  ALA   8           HB3      ALA   8 -11.143  -4.049   4.428
   57    H    VAL   9           HN       VAL   9  -9.469  -5.963   4.085
   58    HA   VAL   9           HA       VAL   9  -7.081  -5.064   5.460
   59    HB   VAL   9           HB       VAL   9  -8.654  -7.632   5.758
   60   HG11  VAL   9          HG11      VAL   9  -6.334  -7.966   6.401
   61   HG12  VAL   9          HG12      VAL   9  -7.367  -7.950   7.830
   62   HG13  VAL   9          HG13      VAL   9  -6.393  -6.534   7.430
   63   HG21  VAL   9          HG21      VAL   9  -9.920  -5.689   6.469
   64   HG22  VAL   9          HG22      VAL   9  -8.575  -5.157   7.478
   65   HG23  VAL   9          HG23      VAL   9  -9.433  -6.649   7.865
   66    HA   PRO  10           HA       PRO  10  -4.815  -7.075   2.166
   67    HB2  PRO  10           HB2      PRO  10  -2.433  -5.911   3.334
   68    HB3  PRO  10           HB1      PRO  10  -3.241  -5.492   1.822
   69    HG2  PRO  10           HG2      PRO  10  -3.172  -3.847   3.996
   70    HG3  PRO  10           HG1      PRO  10  -4.474  -3.828   2.793
   71    HD2  PRO  10           HD2      PRO  10  -4.416  -5.100   5.504
   72    HD3  PRO  10           HD1      PRO  10  -5.731  -4.212   4.699
   73    H    ASP  11           HN       ASP  11  -3.854  -8.991   2.065
   74    HA   ASP  11           HA       ASP  11  -3.102 -10.373   4.482
   75    HB2  ASP  11           HB2      ASP  11  -3.390 -11.123   1.598
   76    HB3  ASP  11           HB1      ASP  11  -2.398 -12.141   2.638
   77    H    THR  12           HN       THR  12  -1.161 -10.073   5.360
   78    HA   THR  12           HA       THR  12   0.933  -8.762   3.973
   79    HB   THR  12           HB       THR  12   2.251  -9.560   6.093
   80    HG1  THR  12           HG1      THR  12   1.097 -10.676   7.459
   81   HG21  THR  12          HG21      THR  12   1.533  -7.257   5.677
   82   HG22  THR  12          HG22      THR  12   1.293  -7.698   7.367
   83   HG23  THR  12          HG23      THR  12  -0.083  -7.648   6.265
   84    H    SER  13           HN       SER  13   0.000 -12.027   4.100
   85    HA   SER  13           HA       SER  13   2.646 -13.114   3.713
   86    HB2  SER  13           HB2      SER  13  -0.071 -14.426   3.507
   87    HB3  SER  13           HB1      SER  13   1.479 -15.265   3.506
   88    HG   SER  13           HG       SER  13   1.767 -14.033   5.616
   89    H    THR  14           HN       THR  14   0.246 -11.755   1.672
   90    HA   THR  14           HA       THR  14   1.144 -13.291  -0.640
   91    HB   THR  14           HB       THR  14  -0.592 -12.012  -1.896
   92    HG1  THR  14           HG1      THR  14  -1.024 -10.178  -0.841
   93   HG21  THR  14          HG21      THR  14  -1.539 -13.468   0.573
   94   HG22  THR  14          HG22      THR  14  -1.106 -14.201  -0.972
   95   HG23  THR  14          HG23      THR  14  -2.512 -13.143  -0.862
   96    H    TYR  15           HN       TYR  15   1.899 -10.422   0.955
   97    HA   TYR  15           HA       TYR  15   2.754  -8.885  -1.296
   98    HB2  TYR  15           HB2      TYR  15   3.257  -8.694   1.662
   99    HB3  TYR  15           HB1      TYR  15   4.119  -7.665   0.528
  100    HD1  TYR  15           HD1      TYR  15   0.883  -8.396   2.062
  101    HD2  TYR  15           HD2      TYR  15   2.973  -5.866  -0.651
  102    HE1  TYR  15           HE1      TYR  15  -0.969  -6.788   2.148
  103    HE2  TYR  15           HE2      TYR  15   1.123  -4.249  -0.562
  104    HH   TYR  15           HH       TYR  15  -1.327  -4.273  -0.049
  105    H    GLN  16           HN       GLN  16   4.748  -8.663  -2.160
  106    HA   GLN  16           HA       GLN  16   6.784 -10.660  -1.513
  107    HB2  GLN  16           HB2      GLN  16   6.630  -8.592  -3.722
  108    HB3  GLN  16           HB1      GLN  16   7.881  -9.817  -3.566
  109    HG2  GLN  16           HG2      GLN  16   6.363 -11.560  -4.037
  110    HG3  GLN  16           HG1      GLN  16   4.970 -10.494  -3.851
  111   HE21  GLN  16          HE21      GLN  16   6.261  -8.322  -5.299
  112   HE22  GLN  16          HE22      GLN  16   6.198  -8.759  -6.976
  113    H    TYR  17           HN       TYR  17   9.042  -9.909  -1.295
  114    HA   TYR  17           HA       TYR  17   9.089  -7.438   0.290
  115    HB2  TYR  17           HB2      TYR  17   9.789  -9.476   1.464
  116    HB3  TYR  17           HB1      TYR  17  11.035  -9.759   0.254
  117    HD1  TYR  17           HD1      TYR  17   9.932  -7.165   2.700
  118    HD2  TYR  17           HD2      TYR  17  13.185  -9.003   0.669
  119    HE1  TYR  17           HE1      TYR  17  11.507  -5.825   4.027
  120    HE2  TYR  17           HE2      TYR  17  14.770  -7.665   1.988
  121    HH   TYR  17           HH       TYR  17  13.805  -5.842   4.735
  122    H    ASP  18           HN       ASP  18   9.997  -5.687  -0.530
  123    HA   ASP  18           HA       ASP  18  11.968  -5.954  -2.691
  124    HB2  ASP  18           HB2      ASP  18  10.205  -4.342  -3.150
  125    HB3  ASP  18           HB1      ASP  18  10.508  -3.524  -1.619
  126    H    GLU  19           HN       GLU  19  14.035  -5.929  -2.197
  127    HA   GLU  19           HA       GLU  19  14.890  -5.625   0.487
  128    HB2  GLU  19           HB2      GLU  19  15.963  -7.210  -0.991
  129    HB3  GLU  19           HB1      GLU  19  16.463  -5.918  -2.073
  130    HG2  GLU  19           HG2      GLU  19  17.875  -4.996  -0.282
  131    HG3  GLU  19           HG1      GLU  19  17.409  -6.347   0.750
  132    H    SER  20           HN       SER  20  15.144  -3.522  -2.355
  133    HA   SER  20           HA       SER  20  17.139  -1.823  -1.306
  134    HB2  SER  20           HB2      SER  20  15.017  -1.152  -3.356
  135    HB3  SER  20           HB1      SER  20  16.536  -0.294  -3.105
  136    HG   SER  20           HG       SER  20  17.253  -2.763  -3.440
  137    H    SER  21           HN       SER  21  13.603  -1.470  -1.387
  138    HA   SER  21           HA       SER  21  13.716   0.933   0.260
  139    HB2  SER  21           HB2      SER  21  11.234  -0.595  -0.475
  140    HB3  SER  21           HB1      SER  21  11.434   1.141  -0.210
  141    HG   SER  21           HG       SER  21  12.205  -0.429  -2.429
  142    H    GLY  22           HN       GLY  22  13.060  -2.485   0.567
  143    HA2  GLY  22           HA2      GLY  22  13.203  -3.774   2.496
  144    HA3  GLY  22           HA1      GLY  22  13.298  -2.299   3.447
  145    H    TYR  23           HN       TYR  23  10.790  -3.079   1.092
  146    HA   TYR  23           HA       TYR  23   8.827  -3.152   3.298
  147    HB2  TYR  23           HB2      TYR  23   8.406  -1.495   0.809
  148    HB3  TYR  23           HB1      TYR  23   7.409  -1.538   2.258
  149    HD1  TYR  23           HD1      TYR  23   9.067  -1.080   4.479
  150    HD2  TYR  23           HD2      TYR  23   9.496   0.476   0.550
  151    HE1  TYR  23           HE1      TYR  23  10.351   0.815   5.375
  152    HE2  TYR  23           HE2      TYR  23  10.774   2.375   1.414
  153    HH   TYR  23           HH       TYR  23  12.054   2.439   4.558
  154    H    TYR  24           HN       TYR  24   6.536  -3.512   2.172
  155    HA   TYR  24           HA       TYR  24   6.958  -5.941   0.577
  156    HB2  TYR  24           HB2      TYR  24   4.760  -5.180   2.501
  157    HB3  TYR  24           HB1      TYR  24   4.677  -6.591   1.450
  158    HD1  TYR  24           HD1      TYR  24   6.746  -8.219   1.619
  159    HD2  TYR  24           HD2      TYR  24   5.629  -5.426   4.624
  160    HE1  TYR  24           HE1      TYR  24   7.978  -9.538   3.292
  161    HE2  TYR  24           HE2      TYR  24   6.858  -6.731   6.306
  162    HH   TYR  24           HH       TYR  24   9.092  -9.066   5.557
  163    H    TYR  25           HN       TYR  25   5.877  -6.324  -1.261
  164    HA   TYR  25           HA       TYR  25   3.945  -4.325  -2.237
  165    HB2  TYR  25           HB2      TYR  25   6.025  -3.843  -3.384
  166    HB3  TYR  25           HB1      TYR  25   6.270  -5.547  -3.749
  167    HD1  TYR  25           HD1      TYR  25   4.786  -6.666  -5.418
  168    HD2  TYR  25           HD2      TYR  25   4.692  -2.465  -4.791
  169    HE1  TYR  25           HE1      TYR  25   3.651  -6.379  -7.576
  170    HE2  TYR  25           HE2      TYR  25   3.575  -2.162  -6.945
  171    HH   TYR  25           HH       TYR  25   3.280  -3.309  -9.052
  172    H    ASP  26           HN       ASP  26   2.073  -5.255  -2.848
  173    HA   ASP  26           HA       ASP  26   1.955  -8.171  -2.987
  174    HB2  ASP  26           HB2      ASP  26   0.315  -6.954  -1.594
  175    HB3  ASP  26           HB1      ASP  26  -0.281  -6.130  -3.030
  176    HA   PRO  27           HA       PRO  27   2.262  -7.841  -7.430
  177    HB2  PRO  27           HB2      PRO  27   1.995 -10.509  -7.927
  178    HB3  PRO  27           HB1      PRO  27   3.500  -9.767  -7.373
  179    HG2  PRO  27           HG2      PRO  27   1.415 -11.223  -5.796
  180    HG3  PRO  27           HG1      PRO  27   3.182 -11.342  -5.697
  181    HD2  PRO  27           HD2      PRO  27   1.746  -9.897  -3.930
  182    HD3  PRO  27           HD1      PRO  27   3.369  -9.402  -4.451
  183    H    THR  28           HN       THR  28  -0.333  -9.525  -5.749
  184    HA   THR  28           HA       THR  28  -1.928  -9.957  -8.066
  185    HB   THR  28           HB       THR  28  -3.693 -10.125  -5.986
  186    HG1  THR  28           HG1      THR  28  -1.945  -9.593  -4.500
  187   HG21  THR  28          HG21      THR  28  -3.214 -12.530  -6.025
  188   HG22  THR  28          HG22      THR  28  -1.708 -12.209  -6.887
  189   HG23  THR  28          HG23      THR  28  -3.257 -11.849  -7.652
  190    H    THR  29           HN       THR  29  -2.199  -7.661  -5.350
  191    HA   THR  29           HA       THR  29  -4.394  -6.309  -6.694
  192    HB   THR  29           HB       THR  29  -4.436  -4.868  -4.668
  193    HG1  THR  29           HG1      THR  29  -2.448  -6.655  -3.660
  194   HG21  THR  29          HG21      THR  29  -4.433  -7.833  -4.100
  195   HG22  THR  29          HG22      THR  29  -5.783  -6.914  -4.767
  196   HG23  THR  29          HG23      THR  29  -5.223  -6.595  -3.124
  197    H    GLY  30           HN       GLY  30  -0.994  -5.845  -6.050
  198    HA2  GLY  30           HA2      GLY  30   0.429  -4.452  -7.292
  199    HA3  GLY  30           HA1      GLY  30  -0.973  -3.569  -7.877
  200    H    LEU  31           HN       LEU  31  -0.697  -4.233  -4.505
  201    HA   LEU  31           HA       LEU  31  -0.413  -1.364  -4.037
  202    HB2  LEU  31           HB2      LEU  31  -1.718  -3.580  -2.572
  203    HB3  LEU  31           HB1      LEU  31  -1.026  -2.294  -1.604
  204    HG   LEU  31           HG       LEU  31  -2.399  -0.665  -2.947
  205   HD11  LEU  31          HD11      LEU  31  -3.798  -3.164  -3.873
  206   HD12  LEU  31          HD12      LEU  31  -2.803  -2.120  -4.885
  207   HD13  LEU  31          HD13      LEU  31  -4.300  -1.505  -4.186
  208   HD21  LEU  31          HD21      LEU  31  -3.878  -2.777  -1.383
  209   HD22  LEU  31          HD22      LEU  31  -4.460  -1.147  -1.724
  210   HD23  LEU  31          HD23      LEU  31  -3.039  -1.381  -0.707
  211    H    TYR  32           HN       TYR  32   1.138  -0.477  -2.938
  212    HA   TYR  32           HA       TYR  32   3.348  -2.048  -1.862
  213    HB2  TYR  32           HB2      TYR  32   2.891   0.932  -2.182
  214    HB3  TYR  32           HB1      TYR  32   4.328   0.235  -1.462
  215    HD1  TYR  32           HD1      TYR  32   2.365  -0.306  -4.574
  216    HD2  TYR  32           HD2      TYR  32   6.203   0.311  -2.871
  217    HE1  TYR  32           HE1      TYR  32   3.341  -0.468  -6.796
  218    HE2  TYR  32           HE2      TYR  32   7.206   0.192  -5.115
  219    HH   TYR  32           HH       TYR  32   6.528  -0.917  -7.355
  220    H    TYR  33           HN       TYR  33   3.894  -1.943   0.389
  221    HA   TYR  33           HA       TYR  33   2.222  -0.302   2.117
  222    HB2  TYR  33           HB2      TYR  33   0.889  -2.285   2.072
  223    HB3  TYR  33           HB1      TYR  33   2.298  -3.314   2.299
  224    HD1  TYR  33           HD1      TYR  33   0.709  -0.409   4.062
  225    HD2  TYR  33           HD2      TYR  33   2.499  -4.256   4.399
  226    HE1  TYR  33           HE1      TYR  33   0.329  -0.367   6.492
  227    HE2  TYR  33           HE2      TYR  33   2.122  -4.223   6.826
  228    HH   TYR  33           HH       TYR  33   0.035  -2.134   8.327
  229    H    ASP  34           HN       ASP  34   3.390   0.594   3.679
  230    HA   ASP  34           HA       ASP  34   5.588  -1.023   4.814
  231    HB2  ASP  34           HB2      ASP  34   6.649   0.845   3.748
  232    HB3  ASP  34           HB1      ASP  34   5.499   1.972   4.458
  233    HA   PRO  35           HA       PRO  35   2.927  -0.745   8.342
  234    HB2  PRO  35           HB2      PRO  35   4.691  -2.007  10.049
  235    HB3  PRO  35           HB1      PRO  35   3.518  -2.823   9.023
  236    HG2  PRO  35           HG2      PRO  35   6.432  -2.550   8.716
  237    HG3  PRO  35           HG1      PRO  35   5.342  -3.790   8.083
  238    HD2  PRO  35           HD2      PRO  35   6.476  -1.710   6.633
  239    HD3  PRO  35           HD1      PRO  35   5.097  -2.692   6.114
  240    H    ASN  36           HN       ASN  36   6.187   0.454   8.092
  241    HA   ASN  36           HA       ASN  36   6.170   1.719  10.690
  242    HB2  ASN  36           HB2      ASN  36   8.091   2.066   8.382
  243    HB3  ASN  36           HB1      ASN  36   8.338   2.652  10.025
  244   HD21  ASN  36          HD21      ASN  36   8.318  -0.091   7.919
  245   HD22  ASN  36          HD22      ASN  36   9.062  -1.201   9.034
  246    H    SER  37           HN       SER  37   5.965   2.825   7.314
  247    HA   SER  37           HA       SER  37   5.466   5.547   8.159
  248    HB2  SER  37           HB2      SER  37   5.324   4.341   5.390
  249    HB3  SER  37           HB1      SER  37   5.392   6.059   5.785
  250    HG   SER  37           HG       SER  37   7.394   4.082   6.070
  251    H    GLN  38           HN       GLN  38   3.665   2.748   7.535
  252    HA   GLN  38           HA       GLN  38   1.507   2.275   8.003
  253    HB2  GLN  38           HB2      GLN  38   1.239   5.212   8.646
  254    HB3  GLN  38           HB1      GLN  38   0.036   3.978   8.995
  255    HG2  GLN  38           HG2      GLN  38   1.494   2.903  10.548
  256    HG3  GLN  38           HG1      GLN  38   2.833   3.956  10.093
  257   HE21  GLN  38          HE21      GLN  38   3.143   4.781  12.126
  258   HE22  GLN  38          HE22      GLN  38   2.016   5.850  12.899
  259    H    TYR  39           HN       TYR  39   2.452   4.242   5.464
  260    HA   TYR  39           HA       TYR  39  -0.288   4.395   4.479
  261    HB2  TYR  39           HB2      TYR  39   0.401   5.978   2.817
  262    HB3  TYR  39           HB1      TYR  39   1.027   6.492   4.372
  263    HD1  TYR  39           HD1      TYR  39   1.834   5.389   0.993
  264    HD2  TYR  39           HD2      TYR  39   3.441   6.450   4.789
  265    HE1  TYR  39           HE1      TYR  39   4.077   5.539  -0.000
  266    HE2  TYR  39           HE2      TYR  39   5.698   6.616   3.812
  267    HH   TYR  39           HH       TYR  39   6.928   5.822   1.885
  268    H    TYR  40           HN       TYR  40  -0.810   3.836   2.400
  269    HA   TYR  40           HA       TYR  40   0.617   1.493   1.377
  270    HB2  TYR  40           HB2      TYR  40  -2.274   2.352   1.150
  271    HB3  TYR  40           HB1      TYR  40  -1.586   1.032   0.213
  272    HD1  TYR  40           HD1      TYR  40  -2.120   2.170   3.712
  273    HD2  TYR  40           HD2      TYR  40  -1.584  -1.135   1.089
  274    HE1  TYR  40           HE1      TYR  40  -2.613   0.630   5.561
  275    HE2  TYR  40           HE2      TYR  40  -2.077  -2.685   2.932
  276    HH   TYR  40           HH       TYR  40  -3.388  -1.640   5.912
  277    H    TYR  41           HN       TYR  41   0.248   1.306  -1.115
  278    HA   TYR  41           HA       TYR  41  -0.303   3.782  -2.437
  279    HB2  TYR  41           HB2      TYR  41   1.794   4.563  -2.374
  280    HB3  TYR  41           HB1      TYR  41   2.433   3.040  -1.810
  281    HD1  TYR  41           HD1      TYR  41   0.815   3.400  -5.127
  282    HD2  TYR  41           HD2      TYR  41   4.501   3.253  -2.979
  283    HE1  TYR  41           HE1      TYR  41   2.030   3.040  -7.226
  284    HE2  TYR  41           HE2      TYR  41   5.696   2.867  -5.064
  285    HH   TYR  41           HH       TYR  41   4.282   3.296  -8.091
  286    H    ASN  42           HN       ASN  42  -1.431   3.321  -4.166
  287    HA   ASN  42           HA       ASN  42  -1.269   0.608  -5.288
  288    HB2  ASN  42           HB2      ASN  42  -3.491   1.516  -4.547
  289    HB3  ASN  42           HB1      ASN  42  -3.351   2.748  -5.794
  290   HD21  ASN  42          HD21      ASN  42  -5.352   0.668  -5.428
  291   HD22  ASN  42          HD22      ASN  42  -5.350  -0.269  -6.879
  292    H    SER  43           HN       SER  43   0.023   0.387  -7.009
  293    HA   SER  43           HA       SER  43   0.899   2.745  -8.423
  294    HB2  SER  43           HB2      SER  43   2.583   1.141  -7.830
  295    HB3  SER  43           HB1      SER  43   1.712  -0.159  -8.663
  296    HG   SER  43           HG       SER  43   2.122   0.934 -10.635
  297    H    LEU  44           HN       LEU  44  -1.612   0.529  -8.856
  298    HA   LEU  44           HA       LEU  44  -1.735   0.536 -11.699
  299    HB2  LEU  44           HB2      LEU  44  -3.812   0.088  -9.568
  300    HB3  LEU  44           HB1      LEU  44  -4.230   0.101 -11.267
  301    HG   LEU  44           HG       LEU  44  -2.617  -1.784 -11.611
  302   HD11  LEU  44          HD11      LEU  44  -1.907  -3.063  -9.654
  303   HD12  LEU  44          HD12      LEU  44  -2.570  -1.816  -8.598
  304   HD13  LEU  44          HD13      LEU  44  -1.210  -1.442  -9.658
  305   HD21  LEU  44          HD21      LEU  44  -5.007  -2.175 -11.423
  306   HD22  LEU  44          HD22      LEU  44  -4.873  -2.244  -9.664
  307   HD23  LEU  44          HD23      LEU  44  -4.102  -3.482 -10.657
  308    H    THR  45           HN       THR  45  -2.897   2.662  -9.171
  309    HA   THR  45           HA       THR  45  -3.954   4.509 -11.190
  310    HB   THR  45           HB       THR  45  -4.876   5.716  -9.141
  311    HG1  THR  45           HG1      THR  45  -4.916   3.528  -7.572
  312   HG21  THR  45          HG21      THR  45  -6.747   4.163  -8.881
  313   HG22  THR  45          HG22      THR  45  -5.794   2.878  -9.626
  314   HG23  THR  45          HG23      THR  45  -6.269   4.289 -10.574
  315    H    GLN  46           HN       GLN  46  -1.194   3.875  -9.593
  316    HA   GLN  46           HA       GLN  46   0.731   4.941  -9.072
  317    HB2  GLN  46           HB2      GLN  46   0.313   5.776 -11.464
  318    HB3  GLN  46           HB1      GLN  46  -0.238   7.271 -10.724
  319    HG2  GLN  46           HG2      GLN  46   1.958   7.516  -9.638
  320    HG3  GLN  46           HG1      GLN  46   2.502   6.050 -10.450
  321   HE21  GLN  46          HE21      GLN  46   1.734   9.414 -10.805
  322   HE22  GLN  46          HE22      GLN  46   2.352   9.592 -12.410
  323    H    GLN  47           HN       GLN  47  -1.156   5.111  -7.132
  324    HA   GLN  47           HA       GLN  47  -0.944   7.893  -6.204
  325    HB2  GLN  47           HB2      GLN  47  -3.313   6.042  -5.962
  326    HB3  GLN  47           HB1      GLN  47  -3.165   7.555  -5.083
  327    HG2  GLN  47           HG2      GLN  47  -3.121   8.792  -7.165
  328    HG3  GLN  47           HG1      GLN  47  -3.193   7.285  -8.079
  329   HE21  GLN  47          HE21      GLN  47  -5.062   6.039  -6.234
  330   HE22  GLN  47          HE22      GLN  47  -6.595   6.783  -6.519
  331    H    TYR  48           HN       TYR  48   0.085   8.109  -4.366
  332    HA   TYR  48           HA       TYR  48   0.584   6.018  -2.500
  333    HB2  TYR  48           HB2      TYR  48   1.070   8.920  -2.715
  334    HB3  TYR  48           HB1      TYR  48   0.883   8.331  -1.072
  335    HD1  TYR  48           HD1      TYR  48   3.318   9.073  -0.664
  336    HD2  TYR  48           HD2      TYR  48   2.268   6.063  -3.483
  337    HE1  TYR  48           HE1      TYR  48   5.647   8.337  -0.712
  338    HE2  TYR  48           HE2      TYR  48   4.592   5.330  -3.558
  339    HH   TYR  48           HH       TYR  48   7.033   6.697  -1.414
  340    H    LEU  49           HN       LEU  49  -0.776   5.232  -0.995
  341    HA   LEU  49           HA       LEU  49  -3.315   6.668  -0.527
  342    HB2  LEU  49           HB2      LEU  49  -2.854   3.697  -0.783
  343    HB3  LEU  49           HB1      LEU  49  -4.392   4.453  -0.433
  344    HG   LEU  49           HG       LEU  49  -2.821   4.689  -2.984
  345   HD11  LEU  49          HD11      LEU  49  -5.392   3.280  -2.369
  346   HD12  LEU  49          HD12      LEU  49  -3.848   2.538  -2.792
  347   HD13  LEU  49          HD13      LEU  49  -4.720   3.503  -3.984
  348   HD21  LEU  49          HD21      LEU  49  -4.732   5.916  -3.870
  349   HD22  LEU  49          HD22      LEU  49  -3.981   6.769  -2.522
  350   HD23  LEU  49          HD23      LEU  49  -5.487   5.883  -2.276
  351    H    TYR  50           HN       TYR  50  -4.506   5.677   1.413
  352    HA   TYR  50           HA       TYR  50  -2.828   4.286   3.326
  353    HB2  TYR  50           HB2      TYR  50  -2.762   5.858   4.961
  354    HB3  TYR  50           HB1      TYR  50  -3.008   6.985   3.638
  355    HD1  TYR  50           HD1      TYR  50  -5.324   7.904   3.232
  356    HD2  TYR  50           HD2      TYR  50  -4.370   5.573   6.663
  357    HE1  TYR  50           HE1      TYR  50  -7.336   8.755   4.371
  358    HE2  TYR  50           HE2      TYR  50  -6.378   6.411   7.802
  359    HH   TYR  50           HH       TYR  50  -8.891   7.942   6.256
  360    H    TRP  51           HN       TRP  51  -4.052   3.015   4.777
  361    HA   TRP  51           HA       TRP  51  -6.635   2.321   3.719
  362    HB2  TRP  51           HB2      TRP  51  -5.145   0.527   4.439
  363    HB3  TRP  51           HB1      TRP  51  -5.107   1.187   6.055
  364    HD1  TRP  51           HD1      TRP  51  -6.452  -0.393   7.596
  365    HE1  TRP  51           HE1      TRP  51  -8.719  -1.592   7.448
  366    HE3  TRP  51           HE3      TRP  51  -7.689   0.907   2.851
  367    HZ2  TRP  51           HZ2      TRP  51 -10.764  -1.954   5.525
  368    HZ3  TRP  51           HZ3      TRP  51  -9.780   0.115   1.932
  369    HH2  TRP  51           HH2      TRP  51 -11.305  -1.296   3.216
  370    H    ASP  52           HN       ASP  52  -8.171   3.728   4.129
  371    HA   ASP  52           HA       ASP  52  -8.382   5.284   6.478
  372    HB2  ASP  52           HB2      ASP  52  -9.372   5.971   4.336
  373    HB3  ASP  52           HB1      ASP  52 -10.490   4.613   4.413
  374    H    GLY  53           HN       GLY  53  -9.885   2.276   5.434
  375    HA2  GLY  53           HA2      GLY  53 -10.521   0.552   6.910
  376    HA3  GLY  53           HA1      GLY  53 -10.585   1.728   8.215
  377    H    GLU  54           HN       GLU  54 -12.319   3.526   7.741
  378    HA   GLU  54           HA       GLU  54 -14.772   1.999   7.646
  379    HB2  GLU  54           HB2      GLU  54 -14.184   4.847   8.425
  380    HB3  GLU  54           HB1      GLU  54 -15.812   4.175   8.392
  381    HG2  GLU  54           HG2      GLU  54 -15.092   2.436   9.979
  382    HG3  GLU  54           HG1      GLU  54 -13.505   3.197  10.051
  383    H    LYS  55           HN       LYS  55 -13.113   4.270   5.588
  384    HA   LYS  55           HA       LYS  55 -15.351   4.591   3.813
  385    HB2  LYS  55           HB2      LYS  55 -12.388   5.026   3.410
  386    HB3  LYS  55           HB1      LYS  55 -13.586   5.336   2.162
  387    HG2  LYS  55           HG2      LYS  55 -13.439   6.687   4.847
  388    HG3  LYS  55           HG1      LYS  55 -12.951   7.380   3.301
  389    HD2  LYS  55           HD2      LYS  55 -15.741   6.437   3.937
  390    HD3  LYS  55           HD1      LYS  55 -15.198   8.111   4.082
  391    HE2  LYS  55           HE2      LYS  55 -14.654   8.152   1.713
  392    HE3  LYS  55           HE1      LYS  55 -15.154   6.469   1.552
  393    HZ1  LYS  55           HZ1      LYS  55 -16.889   7.990   0.820
  394    HZ2  LYS  55           HZ2      LYS  55 -16.918   8.722   2.350
  395    HZ3  LYS  55           HZ3      LYS  55 -17.395   7.104   2.177
  396    H    GLU  56           HN       GLU  56 -13.262   2.112   4.561
  397    HA   GLU  56           HA       GLU  56 -12.767   0.079   3.740
  398    HB2  GLU  56           HB2      GLU  56 -15.463   0.486   2.455
  399    HB3  GLU  56           HB1      GLU  56 -14.594  -1.044   2.435
  400    HG2  GLU  56           HG2      GLU  56 -14.568  -0.951   4.940
  401    HG3  GLU  56           HG1      GLU  56 -15.659   0.432   4.826
  402    H    THR  57           HN       THR  57 -11.775   2.349   2.248
  403    HA   THR  57           HA       THR  57 -10.898   0.832  -0.056
  404    HB   THR  57           HB       THR  57 -12.803   2.100  -0.958
  405    HG1  THR  57           HG1      THR  57 -11.282   3.517  -2.422
  406   HG21  THR  57          HG21      THR  57 -12.734   4.547  -1.065
  407   HG22  THR  57          HG22      THR  57 -11.281   4.550  -0.066
  408   HG23  THR  57          HG23      THR  57 -12.808   3.973   0.602
  409    H    TYR  58           HN       TYR  58  -8.974   1.793  -1.031
  410    HA   TYR  58           HA       TYR  58  -7.291   3.045   0.986
  411    HB2  TYR  58           HB2      TYR  58  -6.608   1.998  -1.764
  412    HB3  TYR  58           HB1      TYR  58  -5.455   2.510  -0.536
  413    HD1  TYR  58           HD1      TYR  58  -5.158   1.152   1.520
  414    HD2  TYR  58           HD2      TYR  58  -7.621  -0.165  -1.690
  415    HE1  TYR  58           HE1      TYR  58  -5.106  -1.135   2.423
  416    HE2  TYR  58           HE2      TYR  58  -7.576  -2.453  -0.795
  417    HH   TYR  58           HH       TYR  58  -6.567  -3.199   2.299
  418    H    VAL  59           HN       VAL  59  -7.500   5.162   1.126
  419    HA   VAL  59           HA       VAL  59  -8.010   6.709  -1.316
  420    HB   VAL  59           HB       VAL  59  -8.679   8.544   0.252
  421   HG11  VAL  59          HG11      VAL  59 -10.368   7.134  -0.753
  422   HG12  VAL  59          HG12      VAL  59 -10.822   7.513   0.909
  423   HG13  VAL  59          HG13      VAL  59 -10.156   5.929   0.517
  424   HG21  VAL  59          HG21      VAL  59  -8.432   6.393   2.351
  425   HG22  VAL  59          HG22      VAL  59  -9.117   8.001   2.589
  426   HG23  VAL  59          HG23      VAL  59  -7.404   7.818   2.208
  427    HA   PRO  60           HA       PRO  60  -3.979   8.350  -1.452
  428    HB2  PRO  60           HB2      PRO  60  -4.498  10.961  -2.168
  429    HB3  PRO  60           HB1      PRO  60  -4.484   9.596  -3.289
  430    HG2  PRO  60           HG2      PRO  60  -6.806  10.939  -1.968
  431    HG3  PRO  60           HG1      PRO  60  -6.656  10.334  -3.628
  432    HD2  PRO  60           HD2      PRO  60  -7.999   8.974  -1.746
  433    HD3  PRO  60           HD1      PRO  60  -7.052   8.146  -2.999
  434    H    ALA  61           HN       ALA  61  -2.647   8.915   0.107
  435    HA   ALA  61           HA       ALA  61  -3.623  10.282   2.449
  436    HB1  ALA  61           HB1      ALA  61  -0.837   9.310   1.813
  437    HB2  ALA  61           HB2      ALA  61  -2.084   8.377   2.640
  438    HB3  ALA  61           HB3      ALA  61  -1.425   9.830   3.392
  439    H    ALA  62           HN       ALA  62  -2.077  11.130  -0.453
  440    HA   ALA  62           HA       ALA  62  -0.873  13.561   0.547
  441    HB1  ALA  62           HB1      ALA  62  -0.247  13.961  -1.781
  442    HB2  ALA  62           HB2      ALA  62  -1.218  12.578  -2.286
  443    HB3  ALA  62           HB3      ALA  62   0.205  12.333  -1.274
  444    H    GLU  63           HN       GLU  63  -3.168  14.007   1.423
  445    HA   GLU  63           HA       GLU  63  -5.007  15.104  -0.526
  446    HB2  GLU  63           HB2      GLU  63  -6.484  15.503   1.366
  447    HB3  GLU  63           HB1      GLU  63  -5.861  13.860   1.422
  448    HG2  GLU  63           HG2      GLU  63  -4.308  14.441   3.152
  449    HG3  GLU  63           HG1      GLU  63  -4.740  16.145   3.026
  450    H    SER  64           HN       SER  64  -5.530  17.250  -0.760
  451    HA   SER  64           HA       SER  64  -4.187  19.210   0.934
  452    HB2  SER  64           HB2      SER  64  -4.150  19.358  -2.094
  453    HB3  SER  64           HB1      SER  64  -3.431  20.521  -0.976
  454    HG   SER  64           HG       SER  64  -2.420  18.234  -0.280
  455    H1   GLY 100           HT1      GLY 100  12.333   7.148 -12.662
  456    H2   GLY 100           HT2      GLY 100  10.795   7.865 -12.647
  457    H3   GLY 100           HT3      GLY 100  11.490   7.378 -14.115
  458    HA2  GLY 100           HA1      GLY 100  11.404   5.060 -13.405
  459    HA3  GLY 100           HA2      GLY 100  10.657   5.585 -11.902
  460    H    MET 101           HN       MET 101   8.936   4.113 -12.527
  461    HA   MET 101           HA       MET 101   7.145   5.224 -14.603
  462    HB2  MET 101           HB2      MET 101   6.178   3.029 -14.824
  463    HB3  MET 101           HB1      MET 101   7.926   2.880 -14.957
  464    HG2  MET 101           HG2      MET 101   8.085   2.062 -12.701
  465    HG3  MET 101           HG1      MET 101   6.359   2.339 -12.423
  466    HE1  MET 101           HE1      MET 101   4.783  -0.300 -14.887
  467    HE2  MET 101           HE2      MET 101   5.177   1.381 -15.247
  468    HE3  MET 101           HE3      MET 101   4.446   0.958 -13.701
  469    H    ARG 102           HN       ARG 102   7.614   4.927 -11.334
  470    HA   ARG 102           HA       ARG 102   4.964   5.620 -10.534
  471    HB2  ARG 102           HB2      ARG 102   4.480   3.529  -9.297
  472    HB3  ARG 102           HB1      ARG 102   4.651   3.200 -11.026
  473    HG2  ARG 102           HG2      ARG 102   7.128   2.698 -10.408
  474    HG3  ARG 102           HG1      ARG 102   6.485   2.547  -8.762
  475    HD2  ARG 102           HD2      ARG 102   5.023   0.783  -9.424
  476    HD3  ARG 102           HD1      ARG 102   5.374   1.047 -11.133
  477    HE   ARG 102           HE       ARG 102   7.784   0.463  -9.834
  478   HH11  ARG 102          HH11      ARG 102   4.766  -1.129 -10.622
  479   HH12  ARG 102          HH12      ARG 102   5.470  -2.716 -10.715
  480   HH21  ARG 102          HH21      ARG 102   8.716  -1.609  -9.958
  481   HH22  ARG 102          HH22      ARG 102   7.735  -2.986 -10.352
  482    HA   PRO 103           HA       PRO 103   7.307   6.628  -6.765
  483    HB2  PRO 103           HB2      PRO 103   5.536   5.712  -4.861
  484    HB3  PRO 103           HB1      PRO 103   5.446   7.312  -5.614
  485    HG2  PRO 103           HG2      PRO 103   4.015   4.786  -6.263
  486    HG3  PRO 103           HG1      PRO 103   3.356   6.402  -6.145
  487    HD2  PRO 103           HD2      PRO 103   3.862   5.349  -8.535
  488    HD3  PRO 103           HD1      PRO 103   4.282   7.051  -8.227
  489    HA   PRO 104           HA       PRO 104   8.760   2.622  -5.242
  490    HB2  PRO 104           HB2      PRO 104  10.300   3.405  -3.290
  491    HB3  PRO 104           HB1      PRO 104  10.570   4.126  -4.886
  492    HG2  PRO 104           HG2      PRO 104   9.031   5.228  -2.560
  493    HG3  PRO 104           HG1      PRO 104  10.252   6.025  -3.534
  494    HD2  PRO 104           HD2      PRO 104   7.527   6.224  -3.938
  495    HD3  PRO 104           HD1      PRO 104   8.740   6.551  -5.178
  496    HA   PRO 105           HA       PRO 105   6.288   1.163  -1.845
  497    HB2  PRO 105           HB2      PRO 105   8.687   0.203  -0.393
  498    HB3  PRO 105           HB1      PRO 105   7.297  -0.710  -0.985
  499    HG2  PRO 105           HG2      PRO 105   9.705  -0.876  -2.160
  500    HG3  PRO 105           HG1      PRO 105   8.199  -0.978  -3.084
  501    HD2  PRO 105           HD2      PRO 105  10.107   1.298  -2.812
  502    HD3  PRO 105           HD1      PRO 105   9.170   0.771  -4.225
  503    HA   PRO 106           HA       PRO 106   6.009   4.429   0.910
  504    HB2  PRO 106           HB2      PRO 106   5.156   2.442   2.961
  505    HB3  PRO 106           HB1      PRO 106   4.335   3.899   2.390
  506    HG2  PRO 106           HG2      PRO 106   3.531   1.471   1.617
  507    HG3  PRO 106           HG1      PRO 106   3.489   2.858   0.513
  508    HD2  PRO 106           HD2      PRO 106   5.378   0.566   0.599
  509    HD3  PRO 106           HD1      PRO 106   4.783   1.490  -0.789
  510    H    GLY 107           HN       GLY 107   7.457   5.469   2.128
  511    HA2  GLY 107           HA2      GLY 107   8.825   5.347   4.230
  512    HA3  GLY 107           HA1      GLY 107   9.394   3.793   3.609
  513    H    ILE 108           HN       ILE 108  10.855   3.687   2.030
  514    HA   ILE 108           HA       ILE 108  12.914   4.287   1.282
  515    HB   ILE 108           HB       ILE 108  12.783   5.649  -0.761
  516   HG12  ILE 108          HG12      ILE 108  10.865   7.132   0.203
  517   HG13  ILE 108          HG11      ILE 108  10.891   6.774  -1.518
  518   HG21  ILE 108          HG21      ILE 108  10.821   4.149  -1.777
  519   HG22  ILE 108          HG22      ILE 108  11.009   3.346  -0.211
  520   HG23  ILE 108          HG23      ILE 108  12.389   3.485  -1.297
  521   HD11  ILE 108          HD11      ILE 108   9.277   4.897  -1.045
  522   HD12  ILE 108          HD12      ILE 108   8.655   6.537  -0.782
  523   HD13  ILE 108          HD13      ILE 108   9.141   5.551   0.597
  524    H    ARG 109           HN       ARG 109  12.980   5.301   3.567
  525    HA   ARG 109           HA       ARG 109  12.954   8.195   3.626
  526    HB2  ARG 109           HB2      ARG 109  13.472   6.197   5.839
  527    HB3  ARG 109           HB1      ARG 109  13.231   7.927   6.050
  528    HG2  ARG 109           HG2      ARG 109  10.958   7.685   5.114
  529    HG3  ARG 109           HG1      ARG 109  11.211   5.941   5.032
  530    HD2  ARG 109           HD2      ARG 109  11.261   7.633   7.526
  531    HD3  ARG 109           HD1      ARG 109   9.952   6.565   7.029
  532    HE   ARG 109           HE       ARG 109  12.545   5.299   7.359
  533   HH11  ARG 109          HH11      ARG 109   9.483   6.133   8.846
  534   HH12  ARG 109          HH12      ARG 109   9.598   4.901  10.069
  535   HH21  ARG 109          HH21      ARG 109  12.718   3.715   8.974
  536   HH22  ARG 109          HH22      ARG 109  11.445   3.516  10.137
  537    H    GLY 110           HN       GLY 110  14.703   9.131   5.169
  538    HA2  GLY 110           HA2      GLY 110  17.260   8.318   5.444
  539    HA3  GLY 110           HA1      GLY 110  17.194   8.816   3.755
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1 -19.789  -8.729  -1.417
    2    H2   GLY   1           HT2      GLY   1 -20.962  -9.921  -1.129
    3    H3   GLY   1           HT3      GLY   1 -19.467 -10.348  -1.804
    4    HA2  GLY   1           HA1      GLY   1 -18.338  -9.680   0.224
    5    HA3  GLY   1           HA2      GLY   1 -19.898  -9.275   0.926
    6    H    ALA   2           HN       ALA   2 -17.570 -11.630   0.626
    7    HA   ALA   2           HA       ALA   2 -19.247 -13.550   1.985
    8    HB1  ALA   2           HB1      ALA   2 -17.970 -14.312  -0.643
    9    HB2  ALA   2           HB2      ALA   2 -19.698 -14.078  -0.371
   10    HB3  ALA   2           HB3      ALA   2 -18.845 -15.390   0.445
   11    H    MET   3           HN       MET   3 -16.247 -13.992   0.130
   12    HA   MET   3           HA       MET   3 -15.044 -15.305   2.384
   13    HB2  MET   3           HB2      MET   3 -13.832 -14.558  -0.283
   14    HB3  MET   3           HB1      MET   3 -13.137 -15.666   0.892
   15    HG2  MET   3           HG2      MET   3 -15.725 -16.058  -0.592
   16    HG3  MET   3           HG1      MET   3 -14.194 -16.853  -0.948
   17    HE1  MET   3           HE1      MET   3 -16.476 -19.716   0.508
   18    HE2  MET   3           HE2      MET   3 -15.522 -19.184  -0.878
   19    HE3  MET   3           HE3      MET   3 -17.016 -18.340  -0.457
   20    H    GLY   4           HN       GLY   4 -14.753 -12.181   0.817
   21    HA2  GLY   4           HA2      GLY   4 -13.979 -10.573   2.738
   22    HA3  GLY   4           HA1      GLY   4 -12.486 -11.475   2.525
   23    H    THR   5           HN       THR   5 -13.914  -8.685   1.786
   24    HA   THR   5           HA       THR   5 -13.224  -8.411  -0.973
   25    HB   THR   5           HB       THR   5 -13.847  -6.318   1.085
   26    HG1  THR   5           HG1      THR   5 -15.845  -6.490  -0.521
   27   HG21  THR   5          HG21      THR   5 -13.827  -6.112  -1.925
   28   HG22  THR   5          HG22      THR   5 -12.635  -5.393  -0.840
   29   HG23  THR   5          HG23      THR   5 -14.310  -4.840  -0.802
   30    H    LYS   6           HN       LYS   6 -11.248  -8.099  -1.779
   31    HA   LYS   6           HA       LYS   6  -9.061  -7.644   0.072
   32    HB2  LYS   6           HB2      LYS   6  -9.134  -8.343  -2.860
   33    HB3  LYS   6           HB1      LYS   6  -7.639  -8.006  -1.998
   34    HG2  LYS   6           HG2      LYS   6  -8.265  -9.847  -0.407
   35    HG3  LYS   6           HG1      LYS   6  -9.574 -10.255  -1.515
   36    HD2  LYS   6           HD2      LYS   6  -8.013 -10.731  -3.277
   37    HD3  LYS   6           HD1      LYS   6  -6.664 -10.138  -2.303
   38    HE2  LYS   6           HE2      LYS   6  -7.105 -11.934  -0.668
   39    HE3  LYS   6           HE1      LYS   6  -8.378 -12.551  -1.720
   40    HZ1  LYS   6           HZ1      LYS   6  -5.502 -12.340  -2.442
   41    HZ2  LYS   6           HZ2      LYS   6  -6.729 -12.969  -3.429
   42    HZ3  LYS   6           HZ3      LYS   6  -6.303 -13.764  -1.993
   43    H    TYR   7           HN       TYR   7 -10.920  -5.488  -0.509
   44    HA   TYR   7           HA       TYR   7  -8.901  -3.522  -1.368
   45    HB2  TYR   7           HB2      TYR   7 -11.451  -3.783  -2.389
   46    HB3  TYR   7           HB1      TYR   7 -11.662  -2.548  -1.166
   47    HD1  TYR   7           HD1      TYR   7 -11.261  -0.351  -1.712
   48    HD2  TYR   7           HD2      TYR   7  -9.390  -3.405  -4.009
   49    HE1  TYR   7           HE1      TYR   7 -10.363   1.356  -3.236
   50    HE2  TYR   7           HE2      TYR   7  -8.486  -1.707  -5.540
   51    HH   TYR   7           HH       TYR   7  -8.906   0.553  -6.250
   52    H    ALA   8           HN       ALA   8  -9.942  -4.995   1.204
   53    HA   ALA   8           HA       ALA   8 -10.052  -2.562   2.836
   54    HB1  ALA   8           HB1      ALA   8 -12.222  -3.682   2.832
   55    HB2  ALA   8           HB2      ALA   8 -11.473  -3.705   4.430
   56    HB3  ALA   8           HB3      ALA   8 -11.459  -5.158   3.428
   57    H    VAL   9           HN       VAL   9  -9.849  -5.921   3.846
   58    HA   VAL   9           HA       VAL   9  -7.597  -5.158   5.496
   59    HB   VAL   9           HB       VAL   9  -9.297  -6.283   6.711
   60   HG11  VAL   9          HG11      VAL   9 -10.146  -8.508   6.136
   61   HG12  VAL   9          HG12      VAL   9  -9.159  -8.503   4.673
   62   HG13  VAL   9          HG13      VAL   9 -10.468  -7.334   4.858
   63   HG21  VAL   9          HG21      VAL   9  -7.057  -6.923   7.363
   64   HG22  VAL   9          HG22      VAL   9  -7.051  -8.221   6.170
   65   HG23  VAL   9          HG23      VAL   9  -8.150  -8.296   7.548
   66    HA   PRO  10           HA       PRO  10  -4.970  -7.131   2.455
   67    HB2  PRO  10           HB2      PRO  10  -2.717  -5.995   3.811
   68    HB3  PRO  10           HB1      PRO  10  -3.461  -5.463   2.303
   69    HG2  PRO  10           HG2      PRO  10  -3.500  -4.023   4.649
   70    HG3  PRO  10           HG1      PRO  10  -4.681  -3.841   3.341
   71    HD2  PRO  10           HD2      PRO  10  -4.912  -5.369   5.906
   72    HD3  PRO  10           HD1      PRO  10  -6.126  -4.371   5.071
   73    H    ASP  11           HN       ASP  11  -3.634  -8.876   2.392
   74    HA   ASP  11           HA       ASP  11  -2.966 -10.147   4.949
   75    HB2  ASP  11           HB2      ASP  11  -4.171 -11.702   3.656
   76    HB3  ASP  11           HB1      ASP  11  -3.339 -11.248   2.172
   77    H    THR  12           HN       THR  12  -0.916 -10.436   5.551
   78    HA   THR  12           HA       THR  12   1.101  -8.958   4.135
   79    HB   THR  12           HB       THR  12   2.557  -9.772   6.069
   80    HG1  THR  12           HG1      THR  12   1.038 -10.466   7.882
   81   HG21  THR  12          HG21      THR  12   0.018  -8.252   6.692
   82   HG22  THR  12          HG22      THR  12   1.509  -7.563   6.054
   83   HG23  THR  12          HG23      THR  12   1.481  -8.250   7.677
   84    H    SER  13           HN       SER  13   0.015 -12.154   4.026
   85    HA   SER  13           HA       SER  13   2.592 -13.378   3.554
   86    HB2  SER  13           HB2      SER  13  -0.007 -14.752   2.998
   87    HB3  SER  13           HB1      SER  13   1.478 -15.403   3.693
   88    HG   SER  13           HG       SER  13  -0.624 -14.019   4.906
   89    H    THR  14           HN       THR  14   0.125 -11.891   1.668
   90    HA   THR  14           HA       THR  14   0.839 -13.287  -0.767
   91    HB   THR  14           HB       THR  14  -1.503 -12.699  -0.387
   92    HG1  THR  14           HG1      THR  14  -0.748 -11.016  -2.521
   93   HG21  THR  14          HG21      THR  14  -0.602  -9.824  -0.582
   94   HG22  THR  14          HG22      THR  14  -1.200 -10.627   0.871
   95   HG23  THR  14          HG23      THR  14  -2.274 -10.384  -0.507
   96    H    TYR  15           HN       TYR  15   1.733 -10.374   0.860
   97    HA   TYR  15           HA       TYR  15   2.675  -8.918  -1.397
   98    HB2  TYR  15           HB2      TYR  15   3.236  -8.729   1.547
   99    HB3  TYR  15           HB1      TYR  15   4.082  -7.715   0.394
  100    HD1  TYR  15           HD1      TYR  15   1.068  -8.184   2.316
  101    HD2  TYR  15           HD2      TYR  15   2.738  -6.112  -1.009
  102    HE1  TYR  15           HE1      TYR  15  -0.804  -6.588   2.364
  103    HE2  TYR  15           HE2      TYR  15   0.883  -4.501  -0.951
  104    HH   TYR  15           HH       TYR  15  -1.435  -4.402  -0.151
  105    H    GLN  16           HN       GLN  16   4.739  -8.647  -2.160
  106    HA   GLN  16           HA       GLN  16   6.748 -10.665  -1.469
  107    HB2  GLN  16           HB2      GLN  16   6.792  -8.496  -3.589
  108    HB3  GLN  16           HB1      GLN  16   7.971  -9.786  -3.408
  109    HG2  GLN  16           HG2      GLN  16   6.334 -11.437  -4.010
  110    HG3  GLN  16           HG1      GLN  16   5.065 -10.213  -4.048
  111   HE21  GLN  16          HE21      GLN  16   6.840  -8.234  -5.277
  112   HE22  GLN  16          HE22      GLN  16   6.982  -8.695  -6.939
  113    H    TYR  17           HN       TYR  17   8.995  -9.851  -1.093
  114    HA   TYR  17           HA       TYR  17   8.932  -7.353   0.444
  115    HB2  TYR  17           HB2      TYR  17   9.790  -9.325   1.629
  116    HB3  TYR  17           HB1      TYR  17  11.010  -9.555   0.381
  117    HD1  TYR  17           HD1      TYR  17   9.854  -7.054   2.899
  118    HD2  TYR  17           HD2      TYR  17  13.115  -8.595   0.642
  119    HE1  TYR  17           HE1      TYR  17  11.400  -5.615   4.158
  120    HE2  TYR  17           HE2      TYR  17  14.668  -7.162   1.897
  121    HH   TYR  17           HH       TYR  17  13.811  -5.582   4.764
  122    H    ASP  18           HN       ASP  18   9.398  -5.620  -0.770
  123    HA   ASP  18           HA       ASP  18  11.215  -5.865  -3.033
  124    HB2  ASP  18           HB2      ASP  18   9.047  -4.490  -3.033
  125    HB3  ASP  18           HB1      ASP  18   9.932  -3.313  -2.066
  126    H    GLU  19           HN       GLU  19  13.274  -5.869  -2.588
  127    HA   GLU  19           HA       GLU  19  14.343  -5.013  -0.127
  128    HB2  GLU  19           HB2      GLU  19  15.557  -6.066  -2.666
  129    HB3  GLU  19           HB1      GLU  19  16.512  -5.674  -1.248
  130    HG2  GLU  19           HG2      GLU  19  15.527  -7.353   0.035
  131    HG3  GLU  19           HG1      GLU  19  14.175  -7.528  -1.080
  132    H    SER  20           HN       SER  20  13.753  -3.208  -2.954
  133    HA   SER  20           HA       SER  20  16.090  -1.593  -2.955
  134    HB2  SER  20           HB2      SER  20  14.839  -0.073  -4.408
  135    HB3  SER  20           HB1      SER  20  14.589  -1.742  -4.912
  136    HG   SER  20           HG       SER  20  12.545  -1.703  -4.120
  137    H    SER  21           HN       SER  21  12.868  -1.126  -1.602
  138    HA   SER  21           HA       SER  21  13.846   1.122   0.026
  139    HB2  SER  21           HB2      SER  21  11.020   0.253  -0.565
  140    HB3  SER  21           HB1      SER  21  11.523   1.737   0.250
  141    HG   SER  21           HG       SER  21  12.823   1.575  -2.064
  142    H    GLY  22           HN       GLY  22  12.700  -2.144   0.122
  143    HA2  GLY  22           HA2      GLY  22  13.052  -3.627   1.897
  144    HA3  GLY  22           HA1      GLY  22  13.309  -2.258   2.968
  145    H    TYR  23           HN       TYR  23  10.538  -2.787   0.827
  146    HA   TYR  23           HA       TYR  23   8.836  -3.098   3.204
  147    HB2  TYR  23           HB2      TYR  23   8.142  -1.184   0.971
  148    HB3  TYR  23           HB1      TYR  23   7.313  -1.390   2.512
  149    HD1  TYR  23           HD1      TYR  23   8.990  -1.040   4.620
  150    HD2  TYR  23           HD2      TYR  23   9.439   0.673   0.760
  151    HE1  TYR  23           HE1      TYR  23  10.391   0.736   5.578
  152    HE2  TYR  23           HE2      TYR  23  10.836   2.460   1.686
  153    HH   TYR  23           HH       TYR  23  11.163   3.549   3.951
  154    H    TYR  24           HN       TYR  24   6.425  -3.366   2.277
  155    HA   TYR  24           HA       TYR  24   6.700  -5.821   0.745
  156    HB2  TYR  24           HB2      TYR  24   4.439  -4.677   2.379
  157    HB3  TYR  24           HB1      TYR  24   4.298  -6.166   1.449
  158    HD1  TYR  24           HD1      TYR  24   5.986  -8.024   1.953
  159    HD2  TYR  24           HD2      TYR  24   5.299  -4.730   4.555
  160    HE1  TYR  24           HE1      TYR  24   6.973  -9.291   3.811
  161    HE2  TYR  24           HE2      TYR  24   6.287  -5.991   6.421
  162    HH   TYR  24           HH       TYR  24   8.088  -8.819   5.968
  163    H    TYR  25           HN       TYR  25   5.853  -6.253  -1.157
  164    HA   TYR  25           HA       TYR  25   4.179  -4.252  -2.526
  165    HB2  TYR  25           HB2      TYR  25   6.483  -3.996  -3.338
  166    HB3  TYR  25           HB1      TYR  25   6.584  -5.719  -3.658
  167    HD1  TYR  25           HD1      TYR  25   4.450  -6.504  -5.231
  168    HD2  TYR  25           HD2      TYR  25   6.317  -2.690  -5.236
  169    HE1  TYR  25           HE1      TYR  25   3.661  -6.120  -7.531
  170    HE2  TYR  25           HE2      TYR  25   5.554  -2.298  -7.512
  171    HH   TYR  25           HH       TYR  25   4.783  -3.453  -9.428
  172    H    ASP  26           HN       ASP  26   2.283  -5.252  -3.038
  173    HA   ASP  26           HA       ASP  26   2.327  -8.161  -3.406
  174    HB2  ASP  26           HB2      ASP  26   0.632  -7.402  -1.868
  175    HB3  ASP  26           HB1      ASP  26   0.003  -6.265  -3.060
  176    HA   PRO  27           HA       PRO  27   2.393  -7.546  -7.795
  177    HB2  PRO  27           HB2      PRO  27   1.953 -10.189  -8.401
  178    HB3  PRO  27           HB1      PRO  27   3.527  -9.495  -8.003
  179    HG2  PRO  27           HG2      PRO  27   1.622 -10.998  -6.258
  180    HG3  PRO  27           HG1      PRO  27   3.389 -11.113  -6.349
  181    HD2  PRO  27           HD2      PRO  27   2.168  -9.761  -4.373
  182    HD3  PRO  27           HD1      PRO  27   3.705  -9.211  -5.077
  183    H    THR  28           HN       THR  28  -0.283  -9.286  -6.185
  184    HA   THR  28           HA       THR  28  -1.848  -9.366  -8.572
  185    HB   THR  28           HB       THR  28  -3.720 -10.080  -7.072
  186    HG1  THR  28           HG1      THR  28  -2.013  -9.190  -5.149
  187   HG21  THR  28          HG21      THR  28  -2.722 -12.259  -6.541
  188   HG22  THR  28          HG22      THR  28  -1.118 -11.587  -6.837
  189   HG23  THR  28          HG23      THR  28  -2.282 -11.708  -8.158
  190    H    THR  29           HN       THR  29  -1.991  -7.351  -5.639
  191    HA   THR  29           HA       THR  29  -4.122  -5.755  -6.833
  192    HB   THR  29           HB       THR  29  -4.047  -4.508  -4.658
  193    HG1  THR  29           HG1      THR  29  -2.252  -6.589  -3.867
  194   HG21  THR  29          HG21      THR  29  -4.385  -7.505  -4.464
  195   HG22  THR  29          HG22      THR  29  -5.617  -6.350  -4.974
  196   HG23  THR  29          HG23      THR  29  -5.019  -6.327  -3.314
  197    H    GLY  30           HN       GLY  30  -0.736  -5.751  -6.562
  198    HA2  GLY  30           HA2      GLY  30   0.857  -4.262  -7.305
  199    HA3  GLY  30           HA1      GLY  30  -0.444  -3.260  -7.931
  200    H    LEU  31           HN       LEU  31  -0.414  -4.272  -4.616
  201    HA   LEU  31           HA       LEU  31  -0.374  -1.466  -3.864
  202    HB2  LEU  31           HB2      LEU  31  -1.838  -3.701  -2.998
  203    HB3  LEU  31           HB1      LEU  31  -0.803  -3.252  -1.655
  204    HG   LEU  31           HG       LEU  31  -1.691  -0.932  -1.802
  205   HD11  LEU  31          HD11      LEU  31  -2.359  -0.940  -4.140
  206   HD12  LEU  31          HD12      LEU  31  -3.720  -0.528  -3.095
  207   HD13  LEU  31          HD13      LEU  31  -3.600  -2.145  -3.792
  208   HD21  LEU  31          HD21      LEU  31  -3.876  -1.443  -0.834
  209   HD22  LEU  31          HD22      LEU  31  -2.617  -2.504  -0.201
  210   HD23  LEU  31          HD23      LEU  31  -3.746  -3.102  -1.418
  211    H    TYR  32           HN       TYR  32   1.105  -0.526  -2.720
  212    HA   TYR  32           HA       TYR  32   3.414  -2.000  -1.699
  213    HB2  TYR  32           HB2      TYR  32   2.815   0.938  -2.124
  214    HB3  TYR  32           HB1      TYR  32   4.244   0.378  -1.272
  215    HD1  TYR  32           HD1      TYR  32   2.654  -0.789  -4.474
  216    HD2  TYR  32           HD2      TYR  32   6.043   0.880  -2.556
  217    HE1  TYR  32           HE1      TYR  32   3.906  -0.880  -6.586
  218    HE2  TYR  32           HE2      TYR  32   7.307   0.805  -4.631
  219    HH   TYR  32           HH       TYR  32   7.256  -0.550  -6.744
  220    H    TYR  33           HN       TYR  33   3.929  -1.939   0.545
  221    HA   TYR  33           HA       TYR  33   2.181  -0.397   2.298
  222    HB2  TYR  33           HB2      TYR  33   0.942  -2.466   2.117
  223    HB3  TYR  33           HB1      TYR  33   2.388  -3.408   2.469
  224    HD1  TYR  33           HD1      TYR  33   0.486  -0.580   4.040
  225    HD2  TYR  33           HD2      TYR  33   2.512  -4.280   4.588
  226    HE1  TYR  33           HE1      TYR  33  -0.039  -0.509   6.438
  227    HE2  TYR  33           HE2      TYR  33   1.988  -4.220   6.986
  228    HH   TYR  33           HH       TYR  33   1.438  -2.566   8.702
  229    H    ASP  34           HN       ASP  34   3.292   0.487   3.899
  230    HA   ASP  34           HA       ASP  34   5.563  -1.054   5.000
  231    HB2  ASP  34           HB2      ASP  34   6.543   0.867   3.966
  232    HB3  ASP  34           HB1      ASP  34   5.337   1.935   4.675
  233    HA   PRO  35           HA       PRO  35   2.905  -1.083   8.573
  234    HB2  PRO  35           HB2      PRO  35   5.349  -2.145   9.853
  235    HB3  PRO  35           HB1      PRO  35   3.734  -2.851   9.754
  236    HG2  PRO  35           HG2      PRO  35   5.764  -3.826   8.313
  237    HG3  PRO  35           HG1      PRO  35   4.117  -3.758   7.661
  238    HD2  PRO  35           HD2      PRO  35   6.448  -1.961   7.119
  239    HD3  PRO  35           HD1      PRO  35   5.218  -2.587   6.000
  240    H    ASN  36           HN       ASN  36   6.018   0.449   8.282
  241    HA   ASN  36           HA       ASN  36   5.954   1.643  10.907
  242    HB2  ASN  36           HB2      ASN  36   7.739   2.221   8.534
  243    HB3  ASN  36           HB1      ASN  36   7.964   2.868  10.155
  244   HD21  ASN  36          HD21      ASN  36   8.187   0.072   8.117
  245   HD22  ASN  36          HD22      ASN  36   9.082  -0.911   9.234
  246    H    SER  37           HN       SER  37   5.422   2.779   7.583
  247    HA   SER  37           HA       SER  37   4.674   5.416   8.587
  248    HB2  SER  37           HB2      SER  37   4.439   5.885   6.077
  249    HB3  SER  37           HB1      SER  37   6.062   5.521   6.668
  250    HG   SER  37           HG       SER  37   5.937   3.505   5.798
  251    H    GLN  38           HN       GLN  38   3.242   2.499   7.717
  252    HA   GLN  38           HA       GLN  38   1.131   1.745   7.679
  253    HB2  GLN  38           HB2      GLN  38   0.658   4.394   8.993
  254    HB3  GLN  38           HB1      GLN  38  -0.679   3.318   8.614
  255    HG2  GLN  38           HG2      GLN  38   0.564   1.542   9.926
  256    HG3  GLN  38           HG1      GLN  38   1.617   2.840  10.488
  257   HE21  GLN  38          HE21      GLN  38  -1.755   3.355   9.834
  258   HE22  GLN  38          HE22      GLN  38  -2.264   3.547  11.473
  259    H    TYR  39           HN       TYR  39   2.180   3.898   5.493
  260    HA   TYR  39           HA       TYR  39  -0.481   4.109   4.321
  261    HB2  TYR  39           HB2      TYR  39   0.231   5.822   2.845
  262    HB3  TYR  39           HB1      TYR  39   0.830   6.234   4.439
  263    HD1  TYR  39           HD1      TYR  39   1.703   5.320   1.009
  264    HD2  TYR  39           HD2      TYR  39   3.237   6.275   4.865
  265    HE1  TYR  39           HE1      TYR  39   3.950   5.564   0.045
  266    HE2  TYR  39           HE2      TYR  39   5.505   6.540   3.922
  267    HH   TYR  39           HH       TYR  39   6.688   5.486   1.687
  268    H    TYR  40           HN       TYR  40  -0.884   3.597   2.243
  269    HA   TYR  40           HA       TYR  40   0.645   1.305   1.229
  270    HB2  TYR  40           HB2      TYR  40  -2.265   2.072   0.844
  271    HB3  TYR  40           HB1      TYR  40  -1.486   0.691   0.087
  272    HD1  TYR  40           HD1      TYR  40  -2.188   2.128   3.457
  273    HD2  TYR  40           HD2      TYR  40  -1.632  -1.382   1.122
  274    HE1  TYR  40           HE1      TYR  40  -2.790   0.751   5.398
  275    HE2  TYR  40           HE2      TYR  40  -2.236  -2.775   3.055
  276    HH   TYR  40           HH       TYR  40  -2.418  -2.712   5.394
  277    H    TYR  41           HN       TYR  41   0.426   1.169  -1.263
  278    HA   TYR  41           HA       TYR  41  -0.561   3.517  -2.529
  279    HB2  TYR  41           HB2      TYR  41   1.301   4.692  -2.845
  280    HB3  TYR  41           HB1      TYR  41   2.166   3.545  -1.853
  281    HD1  TYR  41           HD1      TYR  41   0.901   3.062  -5.327
  282    HD2  TYR  41           HD2      TYR  41   4.314   3.572  -2.814
  283    HE1  TYR  41           HE1      TYR  41   2.367   2.565  -7.210
  284    HE2  TYR  41           HE2      TYR  41   5.776   3.046  -4.705
  285    HH   TYR  41           HH       TYR  41   5.738   2.030  -6.823
  286    H    ASN  42           HN       ASN  42  -1.469   3.021  -4.406
  287    HA   ASN  42           HA       ASN  42  -1.138   0.282  -5.376
  288    HB2  ASN  42           HB2      ASN  42  -3.425   1.268  -4.991
  289    HB3  ASN  42           HB1      ASN  42  -3.103   2.395  -6.303
  290   HD21  ASN  42          HD21      ASN  42  -5.204   0.437  -6.120
  291   HD22  ASN  42          HD22      ASN  42  -5.002  -0.640  -7.454
  292    H    SER  43           HN       SER  43   0.309  -0.085  -6.943
  293    HA   SER  43           HA       SER  43   1.330   2.186  -8.430
  294    HB2  SER  43           HB2      SER  43   2.998   0.469  -9.296
  295    HB3  SER  43           HB1      SER  43   3.055   0.837  -7.566
  296    HG   SER  43           HG       SER  43   1.856  -1.087  -7.206
  297    H    LEU  44           HN       LEU  44  -1.102  -0.031  -8.904
  298    HA   LEU  44           HA       LEU  44  -0.906  -0.197 -11.765
  299    HB2  LEU  44           HB2      LEU  44  -3.292  -0.557  -9.944
  300    HB3  LEU  44           HB1      LEU  44  -3.265  -0.933 -11.657
  301    HG   LEU  44           HG       LEU  44  -1.600  -2.287  -9.537
  302   HD11  LEU  44          HD11      LEU  44  -3.989  -3.256 -11.103
  303   HD12  LEU  44          HD12      LEU  44  -3.947  -2.888  -9.379
  304   HD13  LEU  44          HD13      LEU  44  -3.007  -4.236 -10.014
  305   HD21  LEU  44          HD21      LEU  44  -1.867  -2.864 -12.483
  306   HD22  LEU  44          HD22      LEU  44  -0.972  -3.837 -11.316
  307   HD23  LEU  44          HD23      LEU  44  -0.446  -2.193 -11.681
  308    H    THR  45           HN       THR  45  -2.066   2.058  -9.432
  309    HA   THR  45           HA       THR  45  -3.014   3.817 -11.588
  310    HB   THR  45           HB       THR  45  -4.024   5.155  -9.688
  311    HG1  THR  45           HG1      THR  45  -4.327   3.809  -7.734
  312   HG21  THR  45          HG21      THR  45  -4.966   2.304 -10.037
  313   HG22  THR  45          HG22      THR  45  -5.388   3.671 -11.068
  314   HG23  THR  45          HG23      THR  45  -5.931   3.633  -9.391
  315    H    GLN  46           HN       GLN  46  -0.471   3.188  -9.532
  316    HA   GLN  46           HA       GLN  46   1.453   4.208  -8.948
  317    HB2  GLN  46           HB2      GLN  46   0.714   6.154 -11.142
  318    HB3  GLN  46           HB1      GLN  46   2.290   6.052 -10.369
  319    HG2  GLN  46           HG2      GLN  46   2.536   3.757 -11.203
  320    HG3  GLN  46           HG1      GLN  46   0.973   3.892 -12.004
  321   HE21  GLN  46          HE21      GLN  46   0.758   5.263 -13.783
  322   HE22  GLN  46          HE22      GLN  46   2.135   5.798 -14.687
  323    H    GLN  47           HN       GLN  47  -0.684   4.726  -7.345
  324    HA   GLN  47           HA       GLN  47  -0.310   7.558  -6.597
  325    HB2  GLN  47           HB2      GLN  47  -2.868   5.951  -6.465
  326    HB3  GLN  47           HB1      GLN  47  -2.669   7.597  -5.883
  327    HG2  GLN  47           HG2      GLN  47  -2.279   8.390  -8.122
  328    HG3  GLN  47           HG1      GLN  47  -2.322   6.741  -8.745
  329   HE21  GLN  47          HE21      GLN  47  -3.958   9.018  -9.468
  330   HE22  GLN  47          HE22      GLN  47  -5.596   8.548  -9.184
  331    H    TYR  48           HN       TYR  48   0.209   7.911  -4.512
  332    HA   TYR  48           HA       TYR  48   0.519   5.787  -2.637
  333    HB2  TYR  48           HB2      TYR  48   0.735   8.761  -2.560
  334    HB3  TYR  48           HB1      TYR  48   0.577   7.905  -1.037
  335    HD1  TYR  48           HD1      TYR  48   2.908   8.958  -0.490
  336    HD2  TYR  48           HD2      TYR  48   2.274   6.126  -3.612
  337    HE1  TYR  48           HE1      TYR  48   5.304   8.480  -0.517
  338    HE2  TYR  48           HE2      TYR  48   4.665   5.666  -3.670
  339    HH   TYR  48           HH       TYR  48   6.815   6.885  -3.022
  340    H    LEU  49           HN       LEU  49  -0.744   5.270  -0.859
  341    HA   LEU  49           HA       LEU  49  -3.430   6.446  -0.664
  342    HB2  LEU  49           HB2      LEU  49  -2.830   3.489  -0.909
  343    HB3  LEU  49           HB1      LEU  49  -4.400   4.170  -0.551
  344    HG   LEU  49           HG       LEU  49  -2.898   4.665  -3.101
  345   HD11  LEU  49          HD11      LEU  49  -5.177   2.771  -2.657
  346   HD12  LEU  49          HD12      LEU  49  -3.490   2.292  -2.819
  347   HD13  LEU  49          HD13      LEU  49  -4.320   3.066  -4.168
  348   HD21  LEU  49          HD21      LEU  49  -4.495   6.410  -2.557
  349   HD22  LEU  49          HD22      LEU  49  -5.755   5.197  -2.341
  350   HD23  LEU  49          HD23      LEU  49  -5.051   5.459  -3.934
  351    H    TYR  50           HN       TYR  50  -4.565   5.565   1.348
  352    HA   TYR  50           HA       TYR  50  -2.934   4.004   3.141
  353    HB2  TYR  50           HB2      TYR  50  -2.867   5.446   4.980
  354    HB3  TYR  50           HB1      TYR  50  -2.455   6.485   3.627
  355    HD1  TYR  50           HD1      TYR  50  -3.948   8.264   2.932
  356    HD2  TYR  50           HD2      TYR  50  -4.987   5.716   6.178
  357    HE1  TYR  50           HE1      TYR  50  -5.745   9.814   3.563
  358    HE2  TYR  50           HE2      TYR  50  -6.787   7.268   6.822
  359    HH   TYR  50           HH       TYR  50  -7.440   9.563   6.546
  360    H    TRP  51           HN       TRP  51  -4.162   3.005   4.801
  361    HA   TRP  51           HA       TRP  51  -6.879   2.541   3.910
  362    HB2  TRP  51           HB2      TRP  51  -5.419   0.622   4.424
  363    HB3  TRP  51           HB1      TRP  51  -5.285   1.180   6.072
  364    HD1  TRP  51           HD1      TRP  51  -6.766  -0.221   7.647
  365    HE1  TRP  51           HE1      TRP  51  -9.045  -1.383   7.460
  366    HE3  TRP  51           HE3      TRP  51  -7.828   1.008   2.848
  367    HZ2  TRP  51           HZ2      TRP  51 -11.045  -1.726   5.484
  368    HZ3  TRP  51           HZ3      TRP  51  -9.912   0.237   1.875
  369    HH2  TRP  51           HH2      TRP  51 -11.501  -1.116   3.141
  370    H    ASP  52           HN       ASP  52  -8.253   4.048   4.567
  371    HA   ASP  52           HA       ASP  52  -8.140   5.482   6.977
  372    HB2  ASP  52           HB2      ASP  52  -9.450   6.392   5.220
  373    HB3  ASP  52           HB1      ASP  52 -10.401   4.915   5.064
  374    H    GLY  53           HN       GLY  53  -9.947   2.582   6.063
  375    HA2  GLY  53           HA2      GLY  53 -10.215   0.793   7.647
  376    HA3  GLY  53           HA1      GLY  53 -10.289   1.999   8.924
  377    H    GLU  54           HN       GLU  54 -12.147   3.780   7.918
  378    HA   GLU  54           HA       GLU  54 -14.529   2.133   8.348
  379    HB2  GLU  54           HB2      GLU  54 -14.187   5.126   8.564
  380    HB3  GLU  54           HB1      GLU  54 -15.627   4.217   9.003
  381    HG2  GLU  54           HG2      GLU  54 -14.364   3.050  10.737
  382    HG3  GLU  54           HG1      GLU  54 -12.925   3.975  10.306
  383    H    LYS  55           HN       LYS  55 -13.142   4.399   6.048
  384    HA   LYS  55           HA       LYS  55 -15.564   4.684   4.536
  385    HB2  LYS  55           HB2      LYS  55 -12.757   5.220   3.560
  386    HB3  LYS  55           HB1      LYS  55 -14.251   5.876   2.909
  387    HG2  LYS  55           HG2      LYS  55 -12.989   6.515   5.565
  388    HG3  LYS  55           HG1      LYS  55 -13.128   7.574   4.163
  389    HD2  LYS  55           HD2      LYS  55 -15.570   7.547   4.394
  390    HD3  LYS  55           HD1      LYS  55 -15.418   6.492   5.803
  391    HE2  LYS  55           HE2      LYS  55 -14.039   8.263   6.891
  392    HE3  LYS  55           HE1      LYS  55 -14.402   9.317   5.526
  393    HZ1  LYS  55           HZ1      LYS  55 -15.881   9.764   7.358
  394    HZ2  LYS  55           HZ2      LYS  55 -16.374   8.142   7.410
  395    HZ3  LYS  55           HZ3      LYS  55 -16.766   9.103   6.067
  396    H    GLU  56           HN       GLU  56 -13.307   2.253   4.843
  397    HA   GLU  56           HA       GLU  56 -12.893   0.286   3.806
  398    HB2  GLU  56           HB2      GLU  56 -15.380   0.167   4.160
  399    HB3  GLU  56           HB1      GLU  56 -15.583   0.699   2.498
  400    HG2  GLU  56           HG2      GLU  56 -14.339  -1.293   1.744
  401    HG3  GLU  56           HG1      GLU  56 -14.245  -1.837   3.419
  402    H    THR  57           HN       THR  57 -11.720   2.451   2.575
  403    HA   THR  57           HA       THR  57 -11.293   1.374  -0.051
  404    HB   THR  57           HB       THR  57 -13.204   2.901  -0.449
  405    HG1  THR  57           HG1      THR  57 -11.349   4.405  -1.734
  406   HG21  THR  57          HG21      THR  57 -12.800   4.521   1.329
  407   HG22  THR  57          HG22      THR  57 -12.886   5.329  -0.236
  408   HG23  THR  57          HG23      THR  57 -11.322   5.051   0.528
  409    H    TYR  58           HN       TYR  58  -9.367   2.180  -1.022
  410    HA   TYR  58           HA       TYR  58  -7.443   3.219   0.888
  411    HB2  TYR  58           HB2      TYR  58  -7.105   2.261  -1.950
  412    HB3  TYR  58           HB1      TYR  58  -5.793   2.800  -0.903
  413    HD1  TYR  58           HD1      TYR  58  -5.567   1.559   1.375
  414    HD2  TYR  58           HD2      TYR  58  -7.671  -0.002  -1.978
  415    HE1  TYR  58           HE1      TYR  58  -5.357  -0.707   2.309
  416    HE2  TYR  58           HE2      TYR  58  -7.470  -2.270  -1.053
  417    HH   TYR  58           HH       TYR  58  -6.588  -2.897   2.126
  418    H    VAL  59           HN       VAL  59  -7.540   5.275   1.221
  419    HA   VAL  59           HA       VAL  59  -8.161   7.114  -0.963
  420    HB   VAL  59           HB       VAL  59  -9.522   7.569   0.901
  421   HG11  VAL  59          HG11      VAL  59  -8.622   7.929   3.195
  422   HG12  VAL  59          HG12      VAL  59  -7.050   7.376   2.620
  423   HG13  VAL  59          HG13      VAL  59  -8.432   6.280   2.606
  424   HG21  VAL  59          HG21      VAL  59  -7.208   9.492   1.045
  425   HG22  VAL  59          HG22      VAL  59  -8.815   9.782   1.709
  426   HG23  VAL  59          HG23      VAL  59  -8.599   9.603  -0.035
  427    HA   PRO  60           HA       PRO  60  -3.944   8.022  -1.724
  428    HB2  PRO  60           HB2      PRO  60  -4.951  10.764  -2.289
  429    HB3  PRO  60           HB1      PRO  60  -3.991   9.685  -3.307
  430    HG2  PRO  60           HG2      PRO  60  -6.589  10.074  -3.786
  431    HG3  PRO  60           HG1      PRO  60  -5.841   8.483  -4.007
  432    HD2  PRO  60           HD2      PRO  60  -7.600   9.470  -1.811
  433    HD3  PRO  60           HD1      PRO  60  -7.511   7.860  -2.552
  434    H    ALA  61           HN       ALA  61  -2.358   8.522  -0.385
  435    HA   ALA  61           HA       ALA  61  -2.853   9.993   2.030
  436    HB1  ALA  61           HB1      ALA  61  -0.256   8.894   0.955
  437    HB2  ALA  61           HB2      ALA  61  -1.378   8.035   2.009
  438    HB3  ALA  61           HB3      ALA  61  -0.542   9.472   2.596
  439    H    ALA  62           HN       ALA  62  -3.497  11.832   0.500
  440    HA   ALA  62           HA       ALA  62  -1.692  13.965   0.762
  441    HB1  ALA  62           HB1      ALA  62  -1.187  14.425  -1.596
  442    HB2  ALA  62           HB2      ALA  62  -1.949  12.903  -2.056
  443    HB3  ALA  62           HB3      ALA  62  -0.484  12.894  -1.075
  444    H    GLU  63           HN       GLU  63  -4.446  12.521  -0.823
  445    HA   GLU  63           HA       GLU  63  -5.703  15.118  -1.244
  446    HB2  GLU  63           HB2      GLU  63  -6.655  12.340  -1.964
  447    HB3  GLU  63           HB1      GLU  63  -7.445  13.842  -2.420
  448    HG2  GLU  63           HG2      GLU  63  -4.703  12.943  -3.286
  449    HG3  GLU  63           HG1      GLU  63  -6.167  12.935  -4.267
  450    H    SER  64           HN       SER  64  -6.549  15.925   0.575
  451    HA   SER  64           HA       SER  64  -8.188  14.149   2.247
  452    HB2  SER  64           HB2      SER  64  -6.973  16.826   2.979
  453    HB3  SER  64           HB1      SER  64  -7.844  15.741   4.062
  454    HG   SER  64           HG       SER  64  -5.264  15.517   2.983
  455    H1   GLY 100           HT1      GLY 100   9.815   9.426 -13.041
  456    H2   GLY 100           HT2      GLY 100  10.242   9.528 -14.679
  457    H3   GLY 100           HT3      GLY 100  11.267  10.175 -13.489
  458    HA2  GLY 100           HA1      GLY 100  12.085   8.043 -14.363
  459    HA3  GLY 100           HA2      GLY 100  11.767   8.015 -12.630
  460    H    MET 101           HN       MET 101  10.036   6.857 -11.832
  461    HA   MET 101           HA       MET 101   8.400   5.358 -13.741
  462    HB2  MET 101           HB2      MET 101   8.759   3.255 -12.627
  463    HB3  MET 101           HB1      MET 101  10.334   3.911 -13.037
  464    HG2  MET 101           HG2      MET 101  10.605   4.675 -10.717
  465    HG3  MET 101           HG1      MET 101   9.030   3.980 -10.313
  466    HE1  MET 101           HE1      MET 101  12.722   1.504 -11.578
  467    HE2  MET 101           HE2      MET 101  12.741   3.255 -11.365
  468    HE3  MET 101           HE3      MET 101  11.834   2.540 -12.697
  469    H    ARG 102           HN       ARG 102   7.037   3.834 -11.847
  470    HA   ARG 102           HA       ARG 102   5.252   5.522 -10.538
  471    HB2  ARG 102           HB2      ARG 102   4.606   3.516  -9.260
  472    HB3  ARG 102           HB1      ARG 102   4.841   3.117 -10.965
  473    HG2  ARG 102           HG2      ARG 102   7.159   2.354 -10.355
  474    HG3  ARG 102           HG1      ARG 102   6.694   2.580  -8.657
  475    HD2  ARG 102           HD2      ARG 102   6.460   0.247  -9.373
  476    HD3  ARG 102           HD1      ARG 102   4.914   0.954  -8.908
  477    HE   ARG 102           HE       ARG 102   5.077   1.294 -11.624
  478   HH11  ARG 102          HH11      ARG 102   5.189  -1.392  -9.410
  479   HH12  ARG 102          HH12      ARG 102   4.505  -2.528 -10.524
  480   HH21  ARG 102          HH21      ARG 102   4.155  -0.181 -13.119
  481   HH22  ARG 102          HH22      ARG 102   3.911  -1.838 -12.652
  482    HA   PRO 103           HA       PRO 103   7.325   6.684  -6.694
  483    HB2  PRO 103           HB2      PRO 103   5.562   5.800  -4.788
  484    HB3  PRO 103           HB1      PRO 103   5.378   7.323  -5.674
  485    HG2  PRO 103           HG2      PRO 103   4.164   4.649  -6.162
  486    HG3  PRO 103           HG1      PRO 103   3.379   6.214  -6.158
  487    HD2  PRO 103           HD2      PRO 103   4.024   5.055  -8.469
  488    HD3  PRO 103           HD1      PRO 103   4.290   6.804  -8.266
  489    HA   PRO 104           HA       PRO 104   8.982   2.883  -4.906
  490    HB2  PRO 104           HB2      PRO 104  10.273   3.808  -2.849
  491    HB3  PRO 104           HB1      PRO 104  10.610   4.555  -4.421
  492    HG2  PRO 104           HG2      PRO 104   8.731   5.488  -2.268
  493    HG3  PRO 104           HG1      PRO 104  10.007   6.401  -3.059
  494    HD2  PRO 104           HD2      PRO 104   7.381   6.452  -3.837
  495    HD3  PRO 104           HD1      PRO 104   8.724   6.779  -4.941
  496    HA   PRO 105           HA       PRO 105   6.352   1.347  -1.640
  497    HB2  PRO 105           HB2      PRO 105   8.712   0.316  -0.187
  498    HB3  PRO 105           HB1      PRO 105   7.342  -0.566  -0.862
  499    HG2  PRO 105           HG2      PRO 105   9.805  -0.662  -1.955
  500    HG3  PRO 105           HG1      PRO 105   8.327  -0.785  -2.921
  501    HD2  PRO 105           HD2      PRO 105  10.180   1.521  -2.577
  502    HD3  PRO 105           HD1      PRO 105   9.259   1.013  -4.007
  503    HA   PRO 106           HA       PRO 106   6.129   4.578   1.199
  504    HB2  PRO 106           HB2      PRO 106   5.122   3.079   3.366
  505    HB3  PRO 106           HB1      PRO 106   4.185   3.938   2.145
  506    HG2  PRO 106           HG2      PRO 106   4.860   1.065   2.335
  507    HG3  PRO 106           HG1      PRO 106   3.440   1.855   1.629
  508    HD2  PRO 106           HD2      PRO 106   5.385   0.777   0.116
  509    HD3  PRO 106           HD1      PRO 106   4.501   2.233  -0.384
  510    H    GLY 107           HN       GLY 107   7.574   5.505   2.442
  511    HA2  GLY 107           HA2      GLY 107   8.916   5.116   4.590
  512    HA3  GLY 107           HA1      GLY 107   9.570   3.742   3.689
  513    H    ILE 108           HN       ILE 108  10.947   4.030   2.045
  514    HA   ILE 108           HA       ILE 108  12.956   4.929   1.432
  515    HB   ILE 108           HB       ILE 108  12.607   6.595  -0.390
  516   HG12  ILE 108          HG12      ILE 108  10.474   7.564   0.709
  517   HG13  ILE 108          HG11      ILE 108  10.501   7.383  -1.041
  518   HG21  ILE 108          HG21      ILE 108  10.642   4.605  -1.166
  519   HG22  ILE 108          HG22      ILE 108  11.988   3.898  -0.250
  520   HG23  ILE 108          HG23      ILE 108  12.316   4.840  -1.705
  521   HD11  ILE 108          HD11      ILE 108   9.303   5.169  -0.690
  522   HD12  ILE 108          HD12      ILE 108   8.388   6.648  -0.345
  523   HD13  ILE 108          HD13      ILE 108   9.059   5.703   0.984
  524    H    ARG 109           HN       ARG 109  12.907   5.718   3.870
  525    HA   ARG 109           HA       ARG 109  13.001   8.631   4.073
  526    HB2  ARG 109           HB2      ARG 109  13.208   6.451   6.168
  527    HB3  ARG 109           HB1      ARG 109  13.221   8.177   6.510
  528    HG2  ARG 109           HG2      ARG 109  10.983   8.437   5.900
  529    HG3  ARG 109           HG1      ARG 109  10.946   6.902   5.036
  530    HD2  ARG 109           HD2      ARG 109  11.251   7.202   8.020
  531    HD3  ARG 109           HD1      ARG 109   9.738   6.846   7.195
  532    HE   ARG 109           HE       ARG 109  12.083   5.053   7.302
  533   HH11  ARG 109          HH11      ARG 109   8.633   5.564   6.870
  534   HH12  ARG 109          HH12      ARG 109   8.258   3.861   6.829
  535   HH21  ARG 109          HH21      ARG 109  11.586   2.811   7.268
  536   HH22  ARG 109          HH22      ARG 109   9.933   2.311   7.056
  537    H    GLY 110           HN       GLY 110  15.009   6.435   2.985
  538    HA2  GLY 110           HA2      GLY 110  17.332   8.011   3.305
  539    HA3  GLY 110           HA1      GLY 110  17.405   6.612   4.373
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1 -26.697   0.738   3.425
    2    H2   GLY   1           HT2      GLY   1 -25.134   1.378   3.327
    3    H3   GLY   1           HT3      GLY   1 -25.400  -0.089   4.128
    4    HA2  GLY   1           HA1      GLY   1 -26.072  -1.128   2.052
    5    HA3  GLY   1           HA2      GLY   1 -25.776   0.397   1.226
    6    H    ALA   2           HN       ALA   2 -24.411  -1.305   0.032
    7    HA   ALA   2           HA       ALA   2 -22.391  -2.158  -0.556
    8    HB1  ALA   2           HB1      ALA   2 -21.336  -0.011   1.281
    9    HB2  ALA   2           HB2      ALA   2 -21.701   0.177  -0.434
   10    HB3  ALA   2           HB3      ALA   2 -20.396  -0.894   0.078
   11    H    MET   3           HN       MET   3 -23.715  -3.560   1.412
   12    HA   MET   3           HA       MET   3 -21.899  -4.120   3.589
   13    HB2  MET   3           HB2      MET   3 -24.362  -4.183   3.903
   14    HB3  MET   3           HB1      MET   3 -24.444  -5.556   2.807
   15    HG2  MET   3           HG2      MET   3 -24.529  -6.250   5.145
   16    HG3  MET   3           HG1      MET   3 -23.104  -6.886   4.322
   17    HE1  MET   3           HE1      MET   3 -21.870  -7.474   6.546
   18    HE2  MET   3           HE2      MET   3 -23.282  -6.948   7.464
   19    HE3  MET   3           HE3      MET   3 -21.676  -6.360   7.899
   20    H    GLY   4           HN       GLY   4 -20.062  -4.866   2.588
   21    HA2  GLY   4           HA2      GLY   4 -19.789  -7.625   2.364
   22    HA3  GLY   4           HA1      GLY   4 -19.974  -6.993   0.731
   23    H    THR   5           HN       THR   5 -17.686  -8.112   2.525
   24    HA   THR   5           HA       THR   5 -15.779  -6.059   2.806
   25    HB   THR   5           HB       THR   5 -15.253  -8.986   2.448
   26    HG1  THR   5           HG1      THR   5 -16.183  -9.190   4.328
   27   HG21  THR   5          HG21      THR   5 -13.245  -7.624   2.259
   28   HG22  THR   5          HG22      THR   5 -13.229  -8.531   3.772
   29   HG23  THR   5          HG23      THR   5 -13.636  -6.814   3.774
   30    H    LYS   6           HN       LYS   6 -15.378  -4.840   1.040
   31    HA   LYS   6           HA       LYS   6 -14.873  -6.135  -1.514
   32    HB2  LYS   6           HB2      LYS   6 -14.751  -3.833  -2.405
   33    HB3  LYS   6           HB1      LYS   6 -16.254  -4.150  -1.551
   34    HG2  LYS   6           HG2      LYS   6 -15.124  -3.073   0.470
   35    HG3  LYS   6           HG1      LYS   6 -13.925  -2.481  -0.683
   36    HD2  LYS   6           HD2      LYS   6 -15.658  -0.809  -0.308
   37    HD3  LYS   6           HD1      LYS   6 -15.714  -1.397  -1.971
   38    HE2  LYS   6           HE2      LYS   6 -17.963  -1.238  -1.097
   39    HE3  LYS   6           HE1      LYS   6 -17.541  -2.932  -1.338
   40    HZ1  LYS   6           HZ1      LYS   6 -16.957  -2.979   1.092
   41    HZ2  LYS   6           HZ2      LYS   6 -18.606  -2.777   0.743
   42    HZ3  LYS   6           HZ3      LYS   6 -17.679  -1.446   1.224
   43    H    TYR   7           HN       TYR   7 -13.133  -4.869   1.110
   44    HA   TYR   7           HA       TYR   7 -10.621  -5.624  -0.122
   45    HB2  TYR   7           HB2      TYR   7 -11.176  -2.805   0.809
   46    HB3  TYR   7           HB1      TYR   7  -9.547  -3.454   0.700
   47    HD1  TYR   7           HD1      TYR   7 -12.106  -1.728  -1.021
   48    HD2  TYR   7           HD2      TYR   7  -8.855  -4.402  -1.633
   49    HE1  TYR   7           HE1      TYR   7 -12.042  -1.089  -3.396
   50    HE2  TYR   7           HE2      TYR   7  -8.772  -3.766  -4.006
   51    HH   TYR   7           HH       TYR   7 -10.373  -2.854  -5.713
   52    H    ALA   8           HN       ALA   8 -11.605  -3.657   2.660
   53    HA   ALA   8           HA       ALA   8 -11.101  -3.715   4.858
   54    HB1  ALA   8           HB1      ALA   8 -10.827  -6.687   4.475
   55    HB2  ALA   8           HB2      ALA   8 -12.322  -5.831   4.852
   56    HB3  ALA   8           HB3      ALA   8 -10.993  -5.836   6.012
   57    H    VAL   9           HN       VAL   9  -9.306  -4.923   6.430
   58    HA   VAL   9           HA       VAL   9  -6.839  -3.848   5.526
   59    HB   VAL   9           HB       VAL   9  -7.436  -5.640   7.886
   60   HG11  VAL   9          HG11      VAL   9  -4.961  -4.033   7.263
   61   HG12  VAL   9          HG12      VAL   9  -5.083  -5.793   7.274
   62   HG13  VAL   9          HG13      VAL   9  -5.274  -4.884   8.774
   63   HG21  VAL   9          HG21      VAL   9  -7.063  -2.654   7.701
   64   HG22  VAL   9          HG22      VAL   9  -7.317  -3.571   9.187
   65   HG23  VAL   9          HG23      VAL   9  -8.588  -3.496   7.966
   66    HA   PRO  10           HA       PRO  10  -5.774  -7.452   3.078
   67    HB2  PRO  10           HB2      PRO  10  -3.398  -6.466   2.172
   68    HB3  PRO  10           HB1      PRO  10  -4.962  -6.015   1.492
   69    HG2  PRO  10           HG2      PRO  10  -3.261  -4.550   3.460
   70    HG3  PRO  10           HG1      PRO  10  -4.173  -3.917   2.078
   71    HD2  PRO  10           HD2      PRO  10  -5.070  -3.728   4.621
   72    HD3  PRO  10           HD1      PRO  10  -6.166  -3.912   3.237
   73    H    ASP  11           HN       ASP  11  -4.521  -9.212   3.350
   74    HA   ASP  11           HA       ASP  11  -2.976  -9.504   5.733
   75    HB2  ASP  11           HB2      ASP  11  -3.199 -11.314   3.313
   76    HB3  ASP  11           HB1      ASP  11  -2.394 -11.745   4.814
   77    H    THR  12           HN       THR  12  -0.867  -9.134   6.041
   78    HA   THR  12           HA       THR  12   0.712  -8.074   3.897
   79    HB   THR  12           HB       THR  12   2.533  -8.006   5.653
   80    HG1  THR  12           HG1      THR  12   2.170  -9.153   7.386
   81   HG21  THR  12          HG21      THR  12  -0.116  -6.687   6.270
   82   HG22  THR  12          HG22      THR  12   1.124  -6.077   5.173
   83   HG23  THR  12          HG23      THR  12   1.451  -6.179   6.902
   84    H    SER  13           HN       SER  13  -0.100 -11.121   4.641
   85    HA   SER  13           HA       SER  13   2.352 -12.527   4.432
   86    HB2  SER  13           HB2      SER  13  -0.431 -13.524   3.800
   87    HB3  SER  13           HB1      SER  13   0.975 -14.499   4.232
   88    HG   SER  13           HG       SER  13   0.076 -14.310   6.145
   89    H    THR  14           HN       THR  14  -0.044 -11.428   2.076
   90    HA   THR  14           HA       THR  14   1.046 -13.054  -0.040
   91    HB   THR  14           HB       THR  14  -0.579 -11.642  -1.451
   92    HG1  THR  14           HG1      THR  14  -1.950 -10.329  -0.380
   93   HG21  THR  14          HG21      THR  14  -2.506 -12.926  -0.663
   94   HG22  THR  14          HG22      THR  14  -1.658 -13.291   0.840
   95   HG23  THR  14          HG23      THR  14  -1.056 -13.927  -0.690
   96    H    TYR  15           HN       TYR  15   1.540  -9.861   1.181
   97    HA   TYR  15           HA       TYR  15   2.603  -8.656  -1.137
   98    HB2  TYR  15           HB2      TYR  15   3.011  -8.100   1.796
   99    HB3  TYR  15           HB1      TYR  15   3.821  -7.165   0.548
  100    HD1  TYR  15           HD1      TYR  15   0.512  -8.034   1.983
  101    HD2  TYR  15           HD2      TYR  15   2.678  -5.464  -0.635
  102    HE1  TYR  15           HE1      TYR  15  -1.465  -6.590   1.756
  103    HE2  TYR  15           HE2      TYR  15   0.711  -4.010  -0.850
  104    HH   TYR  15           HH       TYR  15  -1.719  -4.165  -0.603
  105    H    GLN  16           HN       GLN  16   4.600  -8.547  -1.948
  106    HA   GLN  16           HA       GLN  16   6.572 -10.500  -1.042
  107    HB2  GLN  16           HB2      GLN  16   6.016 -10.415  -3.432
  108    HB3  GLN  16           HB1      GLN  16   6.434  -8.710  -3.487
  109    HG2  GLN  16           HG2      GLN  16   8.770  -9.419  -2.791
  110    HG3  GLN  16           HG1      GLN  16   8.260 -11.068  -3.158
  111   HE21  GLN  16          HE21      GLN  16   7.128  -8.274  -4.902
  112   HE22  GLN  16          HE22      GLN  16   7.939  -8.620  -6.390
  113    H    TYR  17           HN       TYR  17   8.615  -9.899  -0.318
  114    HA   TYR  17           HA       TYR  17   8.850  -7.279   0.815
  115    HB2  TYR  17           HB2      TYR  17   9.757  -9.278   1.933
  116    HB3  TYR  17           HB1      TYR  17  10.892  -9.507   0.607
  117    HD1  TYR  17           HD1      TYR  17   9.973  -7.215   3.380
  118    HD2  TYR  17           HD2      TYR  17  12.957  -8.372   0.576
  119    HE1  TYR  17           HE1      TYR  17  11.602  -5.773   4.529
  120    HE2  TYR  17           HE2      TYR  17  14.593  -6.935   1.716
  121    HH   TYR  17           HH       TYR  17  14.027  -5.561   4.787
  122    H    ASP  18           HN       ASP  18   9.242  -5.580  -0.458
  123    HA   ASP  18           HA       ASP  18  10.862  -5.717  -2.822
  124    HB2  ASP  18           HB2      ASP  18   9.079  -4.025  -2.623
  125    HB3  ASP  18           HB1      ASP  18   9.909  -3.304  -1.246
  126    H    GLU  19           HN       GLU  19  12.934  -6.091  -2.668
  127    HA   GLU  19           HA       GLU  19  14.375  -5.862  -0.246
  128    HB2  GLU  19           HB2      GLU  19  14.668  -7.544  -2.117
  129    HB3  GLU  19           HB1      GLU  19  15.518  -6.283  -2.995
  130    HG2  GLU  19           HG2      GLU  19  17.245  -6.207  -1.367
  131    HG3  GLU  19           HG1      GLU  19  16.343  -7.270  -0.283
  132    H    SER  20           HN       SER  20  13.961  -3.717  -2.927
  133    HA   SER  20           HA       SER  20  16.401  -2.280  -2.658
  134    HB2  SER  20           HB2      SER  20  13.856  -1.213  -3.876
  135    HB3  SER  20           HB1      SER  20  15.522  -0.834  -4.317
  136    HG   SER  20           HG       SER  20  15.710  -3.072  -4.990
  137    H    SER  21           HN       SER  21  13.082  -1.707  -1.605
  138    HA   SER  21           HA       SER  21  13.885   0.707  -0.128
  139    HB2  SER  21           HB2      SER  21  11.101  -0.359  -0.426
  140    HB3  SER  21           HB1      SER  21  11.644   1.313  -0.236
  141    HG   SER  21           HG       SER  21  11.779  -0.363  -2.512
  142    H    GLY  22           HN       GLY  22  12.705  -2.557   0.332
  143    HA2  GLY  22           HA2      GLY  22  13.066  -3.839   2.270
  144    HA3  GLY  22           HA1      GLY  22  13.303  -2.358   3.186
  145    H    TYR  23           HN       TYR  23  10.583  -3.008   1.038
  146    HA   TYR  23           HA       TYR  23   8.800  -3.010   3.386
  147    HB2  TYR  23           HB2      TYR  23   8.258  -1.252   0.993
  148    HB3  TYR  23           HB1      TYR  23   7.425  -1.257   2.544
  149    HD1  TYR  23           HD1      TYR  23   9.234  -0.901   4.601
  150    HD2  TYR  23           HD2      TYR  23   9.570   0.554   0.626
  151    HE1  TYR  23           HE1      TYR  23  10.769   0.853   5.380
  152    HE2  TYR  23           HE2      TYR  23  11.098   2.318   1.377
  153    HH   TYR  23           HH       TYR  23  12.548   2.266   4.462
  154    H    TYR  24           HN       TYR  24   6.401  -3.171   2.425
  155    HA   TYR  24           HA       TYR  24   6.463  -5.719   1.025
  156    HB2  TYR  24           HB2      TYR  24   4.237  -4.224   2.418
  157    HB3  TYR  24           HB1      TYR  24   4.023  -5.771   1.608
  158    HD1  TYR  24           HD1      TYR  24   5.481  -7.731   2.432
  159    HD2  TYR  24           HD2      TYR  24   4.875  -4.153   4.659
  160    HE1  TYR  24           HE1      TYR  24   6.122  -8.909   4.493
  161    HE2  TYR  24           HE2      TYR  24   5.523  -5.324   6.722
  162    HH   TYR  24           HH       TYR  24   7.012  -8.379   6.713
  163    H    TYR  25           HN       TYR  25   5.845  -6.059  -0.998
  164    HA   TYR  25           HA       TYR  25   3.977  -4.185  -2.279
  165    HB2  TYR  25           HB2      TYR  25   6.141  -3.626  -3.241
  166    HB3  TYR  25           HB1      TYR  25   6.488  -5.328  -3.545
  167    HD1  TYR  25           HD1      TYR  25   5.256  -6.538  -5.318
  168    HD2  TYR  25           HD2      TYR  25   4.769  -2.357  -4.740
  169    HE1  TYR  25           HE1      TYR  25   4.294  -6.352  -7.572
  170    HE2  TYR  25           HE2      TYR  25   3.817  -2.151  -6.986
  171    HH   TYR  25           HH       TYR  25   3.824  -3.324  -9.107
  172    H    ASP  26           HN       ASP  26   2.204  -5.301  -2.841
  173    HA   ASP  26           HA       ASP  26   2.384  -8.213  -2.995
  174    HB2  ASP  26           HB2      ASP  26   0.607  -7.417  -1.603
  175    HB3  ASP  26           HB1      ASP  26   0.022  -6.338  -2.866
  176    HA   PRO  27           HA       PRO  27   2.462  -7.988  -7.464
  177    HB2  PRO  27           HB2      PRO  27   2.357 -10.691  -7.831
  178    HB3  PRO  27           HB1      PRO  27   3.841  -9.808  -7.458
  179    HG2  PRO  27           HG2      PRO  27   2.045 -11.355  -5.633
  180    HG3  PRO  27           HG1      PRO  27   3.818 -11.308  -5.686
  181    HD2  PRO  27           HD2      PRO  27   2.402  -9.921  -3.859
  182    HD3  PRO  27           HD1      PRO  27   3.925  -9.306  -4.535
  183    H    THR  28           HN       THR  28   0.070  -9.499  -5.435
  184    HA   THR  28           HA       THR  28  -1.687 -10.341  -7.505
  185    HB   THR  28           HB       THR  28  -2.737  -9.697  -4.815
  186    HG1  THR  28           HG1      THR  28  -0.920 -10.622  -4.076
  187   HG21  THR  28          HG21      THR  28  -3.007 -12.083  -6.641
  188   HG22  THR  28          HG22      THR  28  -4.178 -10.776  -6.462
  189   HG23  THR  28          HG23      THR  28  -3.860 -11.864  -5.111
  190    H    THR  29           HN       THR  29  -1.951  -7.659  -5.163
  191    HA   THR  29           HA       THR  29  -4.050  -6.450  -6.767
  192    HB   THR  29           HB       THR  29  -4.094  -4.749  -4.932
  193    HG1  THR  29           HG1      THR  29  -2.300  -6.525  -3.591
  194   HG21  THR  29          HG21      THR  29  -4.315  -7.626  -4.041
  195   HG22  THR  29          HG22      THR  29  -5.566  -6.710  -4.883
  196   HG23  THR  29          HG23      THR  29  -5.069  -6.239  -3.258
  197    H    GLY  30           HN       GLY  30  -0.677  -5.910  -5.992
  198    HA2  GLY  30           HA2      GLY  30   0.803  -4.695  -7.389
  199    HA3  GLY  30           HA1      GLY  30  -0.574  -3.815  -8.036
  200    H    LEU  31           HN       LEU  31  -0.549  -4.165  -4.643
  201    HA   LEU  31           HA       LEU  31  -0.028  -1.305  -4.427
  202    HB2  LEU  31           HB2      LEU  31  -1.578  -3.252  -2.809
  203    HB3  LEU  31           HB1      LEU  31  -0.896  -1.863  -1.986
  204    HG   LEU  31           HG       LEU  31  -2.078  -0.417  -3.703
  205   HD11  LEU  31          HD11      LEU  31  -3.565  -2.974  -4.240
  206   HD12  LEU  31          HD12      LEU  31  -2.469  -2.175  -5.365
  207   HD13  LEU  31          HD13      LEU  31  -3.963  -1.379  -4.873
  208   HD21  LEU  31          HD21      LEU  31  -2.864  -0.659  -1.419
  209   HD22  LEU  31          HD22      LEU  31  -3.745  -2.121  -1.859
  210   HD23  LEU  31          HD23      LEU  31  -4.221  -0.565  -2.540
  211    H    TYR  32           HN       TYR  32   1.293  -0.397  -3.033
  212    HA   TYR  32           HA       TYR  32   3.483  -1.946  -1.875
  213    HB2  TYR  32           HB2      TYR  32   3.011   1.030  -2.202
  214    HB3  TYR  32           HB1      TYR  32   4.438   0.331  -1.463
  215    HD1  TYR  32           HD1      TYR  32   2.606  -0.298  -4.702
  216    HD2  TYR  32           HD2      TYR  32   6.249   0.640  -2.756
  217    HE1  TYR  32           HE1      TYR  32   3.768  -0.269  -6.870
  218    HE2  TYR  32           HE2      TYR  32   7.418   0.692  -4.884
  219    HH   TYR  32           HH       TYR  32   7.138  -0.308  -7.142
  220    H    TYR  33           HN       TYR  33   3.945  -1.765   0.393
  221    HA   TYR  33           HA       TYR  33   2.269  -0.085   2.044
  222    HB2  TYR  33           HB2      TYR  33   0.812  -1.991   1.908
  223    HB3  TYR  33           HB1      TYR  33   2.139  -3.095   2.255
  224    HD1  TYR  33           HD1      TYR  33   0.602  -0.063   3.822
  225    HD2  TYR  33           HD2      TYR  33   2.158  -3.980   4.389
  226    HE1  TYR  33           HE1      TYR  33   0.079   0.081   6.221
  227    HE2  TYR  33           HE2      TYR  33   1.634  -3.848   6.785
  228    HH   TYR  33           HH       TYR  33  -0.285  -1.306   8.119
  229    H    ASP  34           HN       ASP  34   3.391   0.686   3.700
  230    HA   ASP  34           HA       ASP  34   5.496  -1.040   4.839
  231    HB2  ASP  34           HB2      ASP  34   6.671   0.795   3.851
  232    HB3  ASP  34           HB1      ASP  34   5.542   1.963   4.532
  233    HA   PRO  35           HA       PRO  35   2.744  -0.894   8.256
  234    HB2  PRO  35           HB2      PRO  35   4.441  -2.139  10.030
  235    HB3  PRO  35           HB1      PRO  35   3.405  -2.974   8.877
  236    HG2  PRO  35           HG2      PRO  35   6.315  -2.453   8.793
  237    HG3  PRO  35           HG1      PRO  35   5.388  -3.794   8.106
  238    HD2  PRO  35           HD2      PRO  35   6.407  -1.677   6.681
  239    HD3  PRO  35           HD1      PRO  35   5.068  -2.701   6.139
  240    H    ASN  36           HN       ASN  36   5.979   0.437   8.328
  241    HA   ASN  36           HA       ASN  36   5.621   1.671  10.915
  242    HB2  ASN  36           HB2      ASN  36   7.802   1.775   8.850
  243    HB3  ASN  36           HB1      ASN  36   7.800   2.864  10.233
  244   HD21  ASN  36          HD21      ASN  36   9.660   0.736   9.507
  245   HD22  ASN  36          HD22      ASN  36   9.704  -0.329  10.869
  246    H    SER  37           HN       SER  37   5.715   2.777   7.542
  247    HA   SER  37           HA       SER  37   5.127   5.497   8.301
  248    HB2  SER  37           HB2      SER  37   5.075   4.239   5.552
  249    HB3  SER  37           HB1      SER  37   5.176   5.959   5.924
  250    HG   SER  37           HG       SER  37   7.113   3.934   6.384
  251    H    GLN  38           HN       GLN  38   3.379   2.677   7.649
  252    HA   GLN  38           HA       GLN  38   1.200   2.149   7.784
  253    HB2  GLN  38           HB2      GLN  38   1.020   4.915   8.964
  254    HB3  GLN  38           HB1      GLN  38  -0.329   3.786   8.918
  255    HG2  GLN  38           HG2      GLN  38   0.927   2.205  10.267
  256    HG3  GLN  38           HG1      GLN  38   2.308   3.302  10.283
  257   HE21  GLN  38          HE21      GLN  38   2.260   3.419  12.530
  258   HE22  GLN  38          HE22      GLN  38   1.048   4.331  13.375
  259    H    TYR  39           HN       TYR  39   2.237   3.632   5.318
  260    HA   TYR  39           HA       TYR  39  -0.473   4.149   4.347
  261    HB2  TYR  39           HB2      TYR  39   0.243   5.845   2.806
  262    HB3  TYR  39           HB1      TYR  39   0.777   6.281   4.417
  263    HD1  TYR  39           HD1      TYR  39   1.816   5.264   1.045
  264    HD2  TYR  39           HD2      TYR  39   3.138   6.445   4.914
  265    HE1  TYR  39           HE1      TYR  39   4.102   5.531   0.179
  266    HE2  TYR  39           HE2      TYR  39   5.435   6.730   4.067
  267    HH   TYR  39           HH       TYR  39   6.152   6.340   0.610
  268    H    TYR  40           HN       TYR  40  -0.955   3.635   2.274
  269    HA   TYR  40           HA       TYR  40   0.570   1.394   1.171
  270    HB2  TYR  40           HB2      TYR  40  -2.321   2.218   0.856
  271    HB3  TYR  40           HB1      TYR  40  -1.569   0.934  -0.081
  272    HD1  TYR  40           HD1      TYR  40  -2.327   1.969   3.412
  273    HD2  TYR  40           HD2      TYR  40  -1.552  -1.255   0.743
  274    HE1  TYR  40           HE1      TYR  40  -2.871   0.372   5.196
  275    HE2  TYR  40           HE2      TYR  40  -2.100  -2.860   2.521
  276    HH   TYR  40           HH       TYR  40  -2.246  -3.003   4.897
  277    H    TYR  41           HN       TYR  41   0.370   1.297  -1.309
  278    HA   TYR  41           HA       TYR  41  -0.387   3.733  -2.584
  279    HB2  TYR  41           HB2      TYR  41   1.594   4.756  -2.612
  280    HB3  TYR  41           HB1      TYR  41   2.359   3.387  -1.842
  281    HD1  TYR  41           HD1      TYR  41   0.910   3.411  -5.261
  282    HD2  TYR  41           HD2      TYR  41   4.479   3.463  -2.927
  283    HE1  TYR  41           HE1      TYR  41   2.243   3.108  -7.280
  284    HE2  TYR  41           HE2      TYR  41   5.808   3.161  -4.953
  285    HH   TYR  41           HH       TYR  41   4.488   3.467  -8.066
  286    H    ASN  42           HN       ASN  42  -1.293   3.283  -4.478
  287    HA   ASN  42           HA       ASN  42  -0.880   0.584  -5.547
  288    HB2  ASN  42           HB2      ASN  42  -3.208   1.165  -5.092
  289    HB3  ASN  42           HB1      ASN  42  -3.073   2.587  -6.122
  290   HD21  ASN  42          HD21      ASN  42  -4.782   1.821  -7.388
  291   HD22  ASN  42          HD22      ASN  42  -4.571   0.534  -8.526
  292    H    SER  43           HN       SER  43   0.426   0.344  -7.228
  293    HA   SER  43           HA       SER  43   1.368   2.731  -8.569
  294    HB2  SER  43           HB2      SER  43   2.969   1.087  -9.682
  295    HB3  SER  43           HB1      SER  43   3.130   1.292  -7.931
  296    HG   SER  43           HG       SER  43   2.016  -0.663  -7.657
  297    H    LEU  44           HN       LEU  44  -1.061   0.507  -9.095
  298    HA   LEU  44           HA       LEU  44  -1.067   0.609 -11.955
  299    HB2  LEU  44           HB2      LEU  44  -3.151  -0.123  -9.910
  300    HB3  LEU  44           HB1      LEU  44  -3.545  -0.020 -11.614
  301    HG   LEU  44           HG       LEU  44  -1.767  -1.750 -12.045
  302   HD11  LEU  44          HD11      LEU  44  -1.836  -2.030  -9.044
  303   HD12  LEU  44          HD12      LEU  44  -0.471  -1.458 -10.002
  304   HD13  LEU  44          HD13      LEU  44  -1.028  -3.122 -10.169
  305   HD21  LEU  44          HD21      LEU  44  -4.033  -2.544 -10.223
  306   HD22  LEU  44          HD22      LEU  44  -3.163  -3.608 -11.329
  307   HD23  LEU  44          HD23      LEU  44  -4.145  -2.289 -11.965
  308    H    THR  45           HN       THR  45  -2.361   2.554  -9.346
  309    HA   THR  45           HA       THR  45  -3.483   4.437 -11.279
  310    HB   THR  45           HB       THR  45  -4.299   5.650  -9.227
  311    HG1  THR  45           HG1      THR  45  -3.815   4.893  -7.300
  312   HG21  THR  45          HG21      THR  45  -6.091   4.033  -8.749
  313   HG22  THR  45          HG22      THR  45  -5.161   2.776  -9.564
  314   HG23  THR  45          HG23      THR  45  -5.764   4.158 -10.477
  315    H    GLN  46           HN       GLN  46  -0.620   3.820  -9.771
  316    HA   GLN  46           HA       GLN  46   1.324   4.928  -9.424
  317    HB2  GLN  46           HB2      GLN  46   0.807   5.712 -11.777
  318    HB3  GLN  46           HB1      GLN  46   0.139   7.173 -11.066
  319    HG2  GLN  46           HG2      GLN  46   2.502   7.241  -9.885
  320    HG3  GLN  46           HG1      GLN  46   2.959   6.292 -11.298
  321   HE21  GLN  46          HE21      GLN  46   0.910   7.622 -12.958
  322   HE22  GLN  46          HE22      GLN  46   1.555   9.190 -13.308
  323    H    GLN  47           HN       GLN  47  -0.719   5.176  -7.478
  324    HA   GLN  47           HA       GLN  47  -0.309   7.938  -6.530
  325    HB2  GLN  47           HB2      GLN  47  -2.808   6.253  -6.403
  326    HB3  GLN  47           HB1      GLN  47  -2.594   7.745  -5.496
  327    HG2  GLN  47           HG2      GLN  47  -2.519   7.502  -8.495
  328    HG3  GLN  47           HG1      GLN  47  -3.891   8.068  -7.546
  329   HE21  GLN  47          HE21      GLN  47  -2.207   9.503  -5.649
  330   HE22  GLN  47          HE22      GLN  47  -1.664  10.924  -6.468
  331    H    TYR  48           HN       TYR  48   0.232   8.212  -4.446
  332    HA   TYR  48           HA       TYR  48   0.613   5.969  -2.681
  333    HB2  TYR  48           HB2      TYR  48   0.988   8.924  -2.545
  334    HB3  TYR  48           HB1      TYR  48   0.754   8.080  -1.026
  335    HD1  TYR  48           HD1      TYR  48   3.132   8.990  -0.445
  336    HD2  TYR  48           HD2      TYR  48   2.384   6.203  -3.572
  337    HE1  TYR  48           HE1      TYR  48   5.507   8.397  -0.455
  338    HE2  TYR  48           HE2      TYR  48   4.748   5.615  -3.612
  339    HH   TYR  48           HH       TYR  48   6.924   6.655  -2.962
  340    H    LEU  49           HN       LEU  49  -0.722   5.417  -0.932
  341    HA   LEU  49           HA       LEU  49  -3.309   6.791  -0.640
  342    HB2  LEU  49           HB2      LEU  49  -2.930   3.888  -1.388
  343    HB3  LEU  49           HB1      LEU  49  -4.411   4.493  -0.685
  344    HG   LEU  49           HG       LEU  49  -4.020   6.188  -2.828
  345   HD11  LEU  49          HD11      LEU  49  -2.191   4.866  -3.669
  346   HD12  LEU  49          HD12      LEU  49  -3.587   4.739  -4.740
  347   HD13  LEU  49          HD13      LEU  49  -3.197   3.419  -3.637
  348   HD21  LEU  49          HD21      LEU  49  -6.132   5.145  -2.143
  349   HD22  LEU  49          HD22      LEU  49  -5.582   3.621  -2.844
  350   HD23  LEU  49          HD23      LEU  49  -5.847   5.023  -3.880
  351    H    TYR  50           HN       TYR  50  -4.548   5.638   1.281
  352    HA   TYR  50           HA       TYR  50  -2.900   3.853   2.835
  353    HB2  TYR  50           HB2      TYR  50  -2.771   5.038   4.847
  354    HB3  TYR  50           HB1      TYR  50  -2.370   6.236   3.631
  355    HD1  TYR  50           HD1      TYR  50  -3.810   8.154   3.262
  356    HD2  TYR  50           HD2      TYR  50  -4.879   5.135   6.061
  357    HE1  TYR  50           HE1      TYR  50  -5.497   9.661   4.236
  358    HE2  TYR  50           HE2      TYR  50  -6.572   6.621   7.032
  359    HH   TYR  50           HH       TYR  50  -7.032   9.003   7.219
  360    H    TRP  51           HN       TRP  51  -4.105   2.671   4.421
  361    HA   TRP  51           HA       TRP  51  -6.855   2.345   3.571
  362    HB2  TRP  51           HB2      TRP  51  -5.434   0.348   3.852
  363    HB3  TRP  51           HB1      TRP  51  -5.251   0.726   5.547
  364    HD1  TRP  51           HD1      TRP  51  -6.936  -0.498   7.116
  365    HE1  TRP  51           HE1      TRP  51  -9.226  -1.632   6.777
  366    HE3  TRP  51           HE3      TRP  51  -7.618   0.602   2.215
  367    HZ2  TRP  51           HZ2      TRP  51 -11.066  -2.003   4.679
  368    HZ3  TRP  51           HZ3      TRP  51  -9.634  -0.163   1.112
  369    HH2  TRP  51           HH2      TRP  51 -11.344  -1.445   2.302
  370    H    ASP  52           HN       ASP  52  -8.293   3.638   4.450
  371    HA   ASP  52           HA       ASP  52  -8.048   4.785   7.046
  372    HB2  ASP  52           HB2      ASP  52  -9.293   6.053   5.491
  373    HB3  ASP  52           HB1      ASP  52 -10.268   4.666   5.019
  374    H    GLY  53           HN       GLY  53 -10.163   2.279   5.686
  375    HA2  GLY  53           HA2      GLY  53 -10.577   0.239   6.899
  376    HA3  GLY  53           HA1      GLY  53 -10.420   1.155   8.392
  377    H    GLU  54           HN       GLU  54 -12.050   3.196   8.219
  378    HA   GLU  54           HA       GLU  54 -14.599   1.997   8.605
  379    HB2  GLU  54           HB2      GLU  54 -13.837   4.916   8.454
  380    HB3  GLU  54           HB1      GLU  54 -15.365   4.289   9.059
  381    HG2  GLU  54           HG2      GLU  54 -14.263   3.223  10.900
  382    HG3  GLU  54           HG1      GLU  54 -12.679   3.652  10.256
  383    H    LYS  55           HN       LYS  55 -13.230   4.082   6.099
  384    HA   LYS  55           HA       LYS  55 -15.689   4.226   4.611
  385    HB2  LYS  55           HB2      LYS  55 -12.910   4.810   3.579
  386    HB3  LYS  55           HB1      LYS  55 -14.433   5.416   2.948
  387    HG2  LYS  55           HG2      LYS  55 -13.224   6.115   5.616
  388    HG3  LYS  55           HG1      LYS  55 -13.223   7.134   4.176
  389    HD2  LYS  55           HD2      LYS  55 -15.630   7.295   4.238
  390    HD3  LYS  55           HD1      LYS  55 -15.703   6.155   5.586
  391    HE2  LYS  55           HE2      LYS  55 -14.444   7.742   6.977
  392    HE3  LYS  55           HE1      LYS  55 -14.412   8.883   5.633
  393    HZ1  LYS  55           HZ1      LYS  55 -16.776   9.085   5.725
  394    HZ2  LYS  55           HZ2      LYS  55 -16.175   9.331   7.293
  395    HZ3  LYS  55           HZ3      LYS  55 -16.899   7.853   6.884
  396    H    GLU  56           HN       GLU  56 -13.367   1.898   5.053
  397    HA   GLU  56           HA       GLU  56 -12.628   0.036   4.015
  398    HB2  GLU  56           HB2      GLU  56 -15.107  -0.398   4.459
  399    HB3  GLU  56           HB1      GLU  56 -15.345  -0.127   2.737
  400    HG2  GLU  56           HG2      GLU  56 -13.861  -1.953   2.202
  401    HG3  GLU  56           HG1      GLU  56 -13.488  -2.189   3.908
  402    H    THR  57           HN       THR  57 -11.975   2.375   2.644
  403    HA   THR  57           HA       THR  57 -11.438   1.192   0.053
  404    HB   THR  57           HB       THR  57 -13.506   2.596  -0.245
  405    HG1  THR  57           HG1      THR  57 -12.572   2.529  -2.152
  406   HG21  THR  57          HG21      THR  57 -12.996   4.361   1.369
  407   HG22  THR  57          HG22      THR  57 -13.278   5.036  -0.234
  408   HG23  THR  57          HG23      THR  57 -11.633   4.883   0.381
  409    H    TYR  58           HN       TYR  58  -9.628   2.237  -1.013
  410    HA   TYR  58           HA       TYR  58  -7.715   3.232   0.928
  411    HB2  TYR  58           HB2      TYR  58  -7.464   2.407  -1.968
  412    HB3  TYR  58           HB1      TYR  58  -6.125   3.068  -1.039
  413    HD1  TYR  58           HD1      TYR  58  -5.204   1.808   0.870
  414    HD2  TYR  58           HD2      TYR  58  -8.159   0.138  -1.694
  415    HE1  TYR  58           HE1      TYR  58  -4.643  -0.436   1.698
  416    HE2  TYR  58           HE2      TYR  58  -7.612  -2.114  -0.868
  417    HH   TYR  58           HH       TYR  58  -5.732  -3.279   0.193
  418    H    VAL  59           HN       VAL  59  -7.469   5.321   1.281
  419    HA   VAL  59           HA       VAL  59  -8.288   7.206  -0.802
  420    HB   VAL  59           HB       VAL  59  -8.088   8.923   1.073
  421   HG11  VAL  59          HG11      VAL  59 -10.281   8.313   2.010
  422   HG12  VAL  59          HG12      VAL  59 -10.125   6.708   1.297
  423   HG13  VAL  59          HG13      VAL  59 -10.230   8.128   0.257
  424   HG21  VAL  59          HG21      VAL  59  -8.067   6.423   2.770
  425   HG22  VAL  59          HG22      VAL  59  -8.248   8.075   3.358
  426   HG23  VAL  59          HG23      VAL  59  -6.736   7.569   2.608
  427    HA   PRO  60           HA       PRO  60  -3.975   7.751  -1.690
  428    HB2  PRO  60           HB2      PRO  60  -4.314   9.673  -3.580
  429    HB3  PRO  60           HB1      PRO  60  -4.619   7.958  -3.886
  430    HG2  PRO  60           HG2      PRO  60  -6.554  10.141  -3.223
  431    HG3  PRO  60           HG1      PRO  60  -6.695   8.854  -4.435
  432    HD2  PRO  60           HD2      PRO  60  -7.915   8.716  -2.033
  433    HD3  PRO  60           HD1      PRO  60  -7.311   7.274  -2.869
  434    H    ALA  61           HN       ALA  61  -2.402   9.029  -1.019
  435    HA   ALA  61           HA       ALA  61  -2.981  11.366   0.561
  436    HB1  ALA  61           HB1      ALA  61  -1.199   9.799   1.209
  437    HB2  ALA  61           HB2      ALA  61  -0.574  11.430   0.967
  438    HB3  ALA  61           HB3      ALA  61  -0.320  10.197  -0.266
  439    H    ALA  62           HN       ALA  62  -4.030  12.072  -1.615
  440    HA   ALA  62           HA       ALA  62  -2.192  14.012  -2.821
  441    HB1  ALA  62           HB1      ALA  62  -3.192  13.641  -5.027
  442    HB2  ALA  62           HB2      ALA  62  -4.165  12.327  -4.366
  443    HB3  ALA  62           HB3      ALA  62  -2.409  12.180  -4.423
  444    H    GLU  63           HN       GLU  63  -5.413  12.995  -1.940
  445    HA   GLU  63           HA       GLU  63  -6.553  15.603  -2.446
  446    HB2  GLU  63           HB2      GLU  63  -7.892  13.520  -2.713
  447    HB3  GLU  63           HB1      GLU  63  -7.714  13.213  -0.992
  448    HG2  GLU  63           HG2      GLU  63  -9.887  14.155  -1.478
  449    HG3  GLU  63           HG1      GLU  63  -8.936  15.268  -0.493
  450    H    SER  64           HN       SER  64  -5.844  17.159  -1.143
  451    HA   SER  64           HA       SER  64  -5.966  16.705   1.749
  452    HB2  SER  64           HB2      SER  64  -3.589  16.490   0.858
  453    HB3  SER  64           HB1      SER  64  -3.690  18.199   0.438
  454    HG   SER  64           HG       SER  64  -3.422  16.984   2.905
  455    H1   GLY 100           HT1      GLY 100  11.345   7.607 -12.829
  456    H2   GLY 100           HT2      GLY 100  10.409   6.259 -12.382
  457    H3   GLY 100           HT3      GLY 100   9.671   7.767 -12.625
  458    HA2  GLY 100           HA1      GLY 100  10.173   7.727 -14.951
  459    HA3  GLY 100           HA2      GLY 100  11.068   6.231 -14.741
  460    H    MET 101           HN       MET 101   8.214   6.529 -12.851
  461    HA   MET 101           HA       MET 101   6.266   5.719 -14.678
  462    HB2  MET 101           HB2      MET 101   7.392   3.640 -14.989
  463    HB3  MET 101           HB1      MET 101   7.668   3.464 -13.261
  464    HG2  MET 101           HG2      MET 101   5.916   1.968 -14.062
  465    HG3  MET 101           HG1      MET 101   5.300   3.122 -12.876
  466    HE1  MET 101           HE1      MET 101   3.304   1.484 -14.563
  467    HE2  MET 101           HE2      MET 101   2.183   2.712 -15.151
  468    HE3  MET 101           HE3      MET 101   2.782   2.785 -13.494
  469    H    ARG 102           HN       ARG 102   7.355   4.886 -11.469
  470    HA   ARG 102           HA       ARG 102   4.818   5.779 -10.333
  471    HB2  ARG 102           HB2      ARG 102   4.487   3.625  -9.177
  472    HB3  ARG 102           HB1      ARG 102   4.552   3.379 -10.925
  473    HG2  ARG 102           HG2      ARG 102   7.039   2.866 -10.554
  474    HG3  ARG 102           HG1      ARG 102   6.596   2.733  -8.836
  475    HD2  ARG 102           HD2      ARG 102   5.166   0.915  -9.243
  476    HD3  ARG 102           HD1      ARG 102   5.107   1.226 -10.978
  477    HE   ARG 102           HE       ARG 102   7.692   0.658 -10.634
  478   HH11  ARG 102          HH11      ARG 102   4.830  -0.990  -9.451
  479   HH12  ARG 102          HH12      ARG 102   5.565  -2.560  -9.500
  480   HH21  ARG 102          HH21      ARG 102   8.645  -1.413 -10.715
  481   HH22  ARG 102          HH22      ARG 102   7.737  -2.800 -10.169
  482    HA   PRO 103           HA       PRO 103   7.366   6.839  -6.744
  483    HB2  PRO 103           HB2      PRO 103   5.687   5.978  -4.758
  484    HB3  PRO 103           HB1      PRO 103   5.512   7.532  -5.587
  485    HG2  PRO 103           HG2      PRO 103   4.165   4.923  -6.081
  486    HG3  PRO 103           HG1      PRO 103   3.436   6.509  -5.974
  487    HD2  PRO 103           HD2      PRO 103   3.885   5.433  -8.354
  488    HD3  PRO 103           HD1      PRO 103   4.254   7.154  -8.100
  489    HA   PRO 104           HA       PRO 104   8.915   2.894  -5.119
  490    HB2  PRO 104           HB2      PRO 104  10.343   3.703  -3.106
  491    HB3  PRO 104           HB1      PRO 104  10.645   4.471  -4.676
  492    HG2  PRO 104           HG2      PRO 104   8.933   5.451  -2.409
  493    HG3  PRO 104           HG1      PRO 104  10.201   6.316  -3.264
  494    HD2  PRO 104           HD2      PRO 104   7.528   6.488  -3.881
  495    HD3  PRO 104           HD1      PRO 104   8.825   6.806  -5.040
  496    HA   PRO 105           HA       PRO 105   6.376   1.356  -1.770
  497    HB2  PRO 105           HB2      PRO 105   8.798   0.325  -0.404
  498    HB3  PRO 105           HB1      PRO 105   7.376  -0.551  -0.980
  499    HG2  PRO 105           HG2      PRO 105   9.745  -0.721  -2.231
  500    HG3  PRO 105           HG1      PRO 105   8.210  -0.769  -3.110
  501    HD2  PRO 105           HD2      PRO 105  10.168   1.467  -2.837
  502    HD3  PRO 105           HD1      PRO 105   9.176   0.998  -4.233
  503    HA   PRO 106           HA       PRO 106   6.274   4.560   1.120
  504    HB2  PRO 106           HB2      PRO 106   5.330   2.502   3.059
  505    HB3  PRO 106           HB1      PRO 106   4.585   4.034   2.593
  506    HG2  PRO 106           HG2      PRO 106   3.640   1.704   1.693
  507    HG3  PRO 106           HG1      PRO 106   3.652   3.156   0.675
  508    HD2  PRO 106           HD2      PRO 106   5.400   0.763   0.576
  509    HD3  PRO 106           HD1      PRO 106   4.853   1.816  -0.735
  510    H    GLY 107           HN       GLY 107   7.813   5.418   2.369
  511    HA2  GLY 107           HA2      GLY 107   9.243   4.983   4.430
  512    HA3  GLY 107           HA1      GLY 107   9.778   3.554   3.533
  513    H    ILE 108           HN       ILE 108  11.310   3.705   2.092
  514    HA   ILE 108           HA       ILE 108  13.261   4.527   1.279
  515    HB   ILE 108           HB       ILE 108  12.925   5.937  -0.691
  516   HG12  ILE 108          HG12      ILE 108  10.961   7.255   0.431
  517   HG13  ILE 108          HG11      ILE 108  10.934   6.971  -1.306
  518   HG21  ILE 108          HG21      ILE 108  11.005   4.351  -1.667
  519   HG22  ILE 108          HG22      ILE 108  11.338   3.506  -0.148
  520   HG23  ILE 108          HG23      ILE 108  12.641   3.777  -1.303
  521   HD11  ILE 108          HD11      ILE 108   9.493   4.940  -0.809
  522   HD12  ILE 108          HD12      ILE 108   8.760   6.536  -0.547
  523   HD13  ILE 108          HD13      ILE 108   9.341   5.596   0.831
  524    H    ARG 109           HN       ARG 109  13.132   5.517   3.671
  525    HA   ARG 109           HA       ARG 109  13.084   8.395   3.733
  526    HB2  ARG 109           HB2      ARG 109  13.677   6.350   5.875
  527    HB3  ARG 109           HB1      ARG 109  13.554   8.081   6.155
  528    HG2  ARG 109           HG2      ARG 109  11.235   8.070   5.493
  529    HG3  ARG 109           HG1      ARG 109  11.337   6.361   5.066
  530    HD2  ARG 109           HD2      ARG 109  11.785   7.477   7.834
  531    HD3  ARG 109           HD1      ARG 109  10.272   6.767   7.271
  532    HE   ARG 109           HE       ARG 109  12.549   5.025   6.951
  533   HH11  ARG 109          HH11      ARG 109  10.103   6.142   9.196
  534   HH12  ARG 109          HH12      ARG 109  10.129   4.695  10.157
  535   HH21  ARG 109          HH21      ARG 109  12.597   3.112   8.215
  536   HH22  ARG 109          HH22      ARG 109  11.571   2.986   9.610
  537    H    GLY 110           HN       GLY 110  14.802   8.843   2.337
  538    HA2  GLY 110           HA2      GLY 110  17.381   8.824   3.730
  539    HA3  GLY 110           HA1      GLY 110  17.306   8.308   2.047
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1 -23.929  -6.228   3.284
    2    H2   GLY   1           HT2      GLY   1 -23.019  -5.644   1.978
    3    H3   GLY   1           HT3      GLY   1 -22.553  -7.072   2.763
    4    HA2  GLY   1           HA1      GLY   1 -24.596  -8.157   2.022
    5    HA3  GLY   1           HA2      GLY   1 -25.022  -6.677   1.168
    6    H    ALA   2           HN       ALA   2 -24.188  -6.302  -0.824
    7    HA   ALA   2           HA       ALA   2 -22.701  -8.463  -2.063
    8    HB1  ALA   2           HB1      ALA   2 -24.580  -7.420  -3.253
    9    HB2  ALA   2           HB2      ALA   2 -23.071  -7.267  -4.152
   10    HB3  ALA   2           HB3      ALA   2 -23.714  -5.885  -3.267
   11    H    MET   3           HN       MET   3 -20.583  -8.536  -1.944
   12    HA   MET   3           HA       MET   3 -19.086  -6.020  -1.626
   13    HB2  MET   3           HB2      MET   3 -18.302  -8.854  -0.906
   14    HB3  MET   3           HB1      MET   3 -17.302  -7.428  -0.662
   15    HG2  MET   3           HG2      MET   3 -18.882  -6.536   0.916
   16    HG3  MET   3           HG1      MET   3 -19.988  -7.874   0.610
   17    HE1  MET   3           HE1      MET   3 -15.887  -8.330   2.685
   18    HE2  MET   3           HE2      MET   3 -16.534  -6.795   2.103
   19    HE3  MET   3           HE3      MET   3 -16.044  -8.040   0.951
   20    H    GLY   4           HN       GLY   4 -18.916  -9.221  -3.188
   21    HA2  GLY   4           HA2      GLY   4 -17.901  -9.887  -5.142
   22    HA3  GLY   4           HA1      GLY   4 -17.983  -8.206  -5.654
   23    H    THR   5           HN       THR   5 -16.268  -9.812  -2.992
   24    HA   THR   5           HA       THR   5 -14.101  -9.841  -2.366
   25    HB   THR   5           HB       THR   5 -13.437  -9.373  -5.249
   26    HG1  THR   5           HG1      THR   5 -14.008 -11.787  -3.836
   27   HG21  THR   5          HG21      THR   5 -11.927 -10.750  -3.031
   28   HG22  THR   5          HG22      THR   5 -11.532  -9.176  -3.723
   29   HG23  THR   5          HG23      THR   5 -11.398 -10.634  -4.709
   30    H    LYS   6           HN       LYS   6 -14.699  -7.797  -1.300
   31    HA   LYS   6           HA       LYS   6 -13.676  -5.362  -2.449
   32    HB2  LYS   6           HB2      LYS   6 -14.818  -6.030   0.262
   33    HB3  LYS   6           HB1      LYS   6 -14.116  -4.459  -0.090
   34    HG2  LYS   6           HG2      LYS   6 -16.453  -5.697  -1.529
   35    HG3  LYS   6           HG1      LYS   6 -16.542  -4.432  -0.299
   36    HD2  LYS   6           HD2      LYS   6 -15.140  -2.993  -1.766
   37    HD3  LYS   6           HD1      LYS   6 -15.231  -4.242  -3.009
   38    HE2  LYS   6           HE2      LYS   6 -16.868  -2.525  -3.455
   39    HE3  LYS   6           HE1      LYS   6 -17.683  -4.026  -3.016
   40    HZ1  LYS   6           HZ1      LYS   6 -18.679  -2.102  -1.939
   41    HZ2  LYS   6           HZ2      LYS   6 -17.201  -1.732  -1.190
   42    HZ3  LYS   6           HZ3      LYS   6 -18.020  -3.162  -0.795
   43    H    TYR   7           HN       TYR   7 -12.017  -4.065  -1.319
   44    HA   TYR   7           HA       TYR   7  -9.646  -5.597  -1.012
   45    HB2  TYR   7           HB2      TYR   7 -10.094  -2.691  -0.298
   46    HB3  TYR   7           HB1      TYR   7  -8.546  -3.470  -0.595
   47    HD1  TYR   7           HD1      TYR   7 -11.018  -1.447  -2.012
   48    HD2  TYR   7           HD2      TYR   7  -8.390  -4.650  -2.984
   49    HE1  TYR   7           HE1      TYR   7 -11.190  -0.856  -4.394
   50    HE2  TYR   7           HE2      TYR   7  -8.549  -4.071  -5.367
   51    HH   TYR   7           HH       TYR   7  -9.885  -1.137  -6.464
   52    H    ALA   8           HN       ALA   8 -11.133  -3.322   1.277
   53    HA   ALA   8           HA       ALA   8 -10.911  -3.061   3.511
   54    HB1  ALA   8           HB1      ALA   8 -12.471  -4.962   3.439
   55    HB2  ALA   8           HB2      ALA   8 -11.465  -4.948   4.886
   56    HB3  ALA   8           HB3      ALA   8 -11.101  -6.065   3.568
   57    H    VAL   9           HN       VAL   9  -9.717  -5.219   5.256
   58    HA   VAL   9           HA       VAL   9  -7.060  -4.218   5.231
   59    HB   VAL   9           HB       VAL   9  -8.040  -4.747   7.351
   60   HG11  VAL   9          HG11      VAL   9  -9.624  -6.445   6.660
   61   HG12  VAL   9          HG12      VAL   9  -8.649  -7.029   8.010
   62   HG13  VAL   9          HG13      VAL   9  -8.310  -7.584   6.370
   63   HG21  VAL   9          HG21      VAL   9  -5.641  -5.064   7.224
   64   HG22  VAL   9          HG22      VAL   9  -5.865  -6.733   6.696
   65   HG23  VAL   9          HG23      VAL   9  -6.351  -6.250   8.322
   66    HA   PRO  10           HA       PRO  10  -5.664  -7.274   2.291
   67    HB2  PRO  10           HB2      PRO  10  -3.140  -5.910   2.222
   68    HB3  PRO  10           HB1      PRO  10  -4.441  -5.850   1.034
   69    HG2  PRO  10           HG2      PRO  10  -3.664  -3.730   2.612
   70    HG3  PRO  10           HG1      PRO  10  -5.255  -3.887   1.855
   71    HD2  PRO  10           HD2      PRO  10  -4.425  -4.456   4.667
   72    HD3  PRO  10           HD1      PRO  10  -5.927  -3.729   4.054
   73    H    ASP  11           HN       ASP  11  -4.227  -8.994   2.265
   74    HA   ASP  11           HA       ASP  11  -3.195  -9.744   4.845
   75    HB2  ASP  11           HB2      ASP  11  -3.244 -11.147   2.180
   76    HB3  ASP  11           HB1      ASP  11  -2.446 -11.829   3.592
   77    H    THR  12           HN       THR  12  -1.353  -8.998   5.540
   78    HA   THR  12           HA       THR  12   0.606  -7.781   3.946
   79    HB   THR  12           HB       THR  12   2.027  -8.035   6.068
   80    HG1  THR  12           HG1      THR  12   1.017  -8.860   7.851
   81   HG21  THR  12          HG21      THR  12  -0.682  -6.703   6.249
   82   HG22  THR  12          HG22      THR  12   0.770  -6.003   5.533
   83   HG23  THR  12          HG23      THR  12   0.713  -6.338   7.264
   84    H    SER  13           HN       SER  13   0.067 -11.075   4.770
   85    HA   SER  13           HA       SER  13   2.764 -11.960   4.324
   86    HB2  SER  13           HB2      SER  13   0.993 -13.067   5.817
   87    HB3  SER  13           HB1      SER  13   0.296 -13.697   4.326
   88    HG   SER  13           HG       SER  13   1.922 -15.047   4.110
   89    H    THR  14           HN       THR  14   0.216 -11.044   2.320
   90    HA   THR  14           HA       THR  14   0.777 -12.866   0.153
   91    HB   THR  14           HB       THR  14  -0.866 -10.322   0.137
   92    HG1  THR  14           HG1      THR  14  -2.633 -11.889   0.348
   93   HG21  THR  14          HG21      THR  14  -1.986 -11.321  -1.781
   94   HG22  THR  14          HG22      THR  14  -0.911 -12.717  -1.695
   95   HG23  THR  14          HG23      THR  14  -0.263 -11.126  -2.095
   96    H    TYR  15           HN       TYR  15   1.761  -9.687   1.179
   97    HA   TYR  15           HA       TYR  15   2.857  -8.853  -1.326
   98    HB2  TYR  15           HB2      TYR  15   3.433  -7.867   1.469
   99    HB3  TYR  15           HB1      TYR  15   3.972  -7.085  -0.002
  100    HD1  TYR  15           HD1      TYR  15   0.985  -7.927   2.005
  101    HD2  TYR  15           HD2      TYR  15   2.563  -5.584  -1.182
  102    HE1  TYR  15           HE1      TYR  15  -1.057  -6.559   2.007
  103    HE2  TYR  15           HE2      TYR  15   0.520  -4.216  -1.189
  104    HH   TYR  15           HH       TYR  15  -1.765  -4.307   1.314
  105    H    GLN  16           HN       GLN  16   4.972  -8.874  -1.994
  106    HA   GLN  16           HA       GLN  16   6.757 -10.715  -0.575
  107    HB2  GLN  16           HB2      GLN  16   6.954  -9.584  -3.376
  108    HB3  GLN  16           HB1      GLN  16   8.048 -10.767  -2.669
  109    HG2  GLN  16           HG2      GLN  16   5.116 -11.160  -3.217
  110    HG3  GLN  16           HG1      GLN  16   6.455 -11.843  -4.140
  111   HE21  GLN  16          HE21      GLN  16   4.256 -13.140  -2.677
  112   HE22  GLN  16          HE22      GLN  16   5.007 -14.210  -1.550
  113    H    TYR  17           HN       TYR  17   9.029 -10.076  -0.358
  114    HA   TYR  17           HA       TYR  17   9.093  -7.362   0.656
  115    HB2  TYR  17           HB2      TYR  17   9.838  -9.159   2.114
  116    HB3  TYR  17           HB1      TYR  17  11.042  -9.658   0.933
  117    HD1  TYR  17           HD1      TYR  17  10.090  -6.913   3.232
  118    HD2  TYR  17           HD2      TYR  17  13.179  -8.657   0.886
  119    HE1  TYR  17           HE1      TYR  17  11.727  -5.420   4.294
  120    HE2  TYR  17           HE2      TYR  17  14.827  -7.172   1.945
  121    HH   TYR  17           HH       TYR  17  14.138  -5.357   4.734
  122    H    ASP  18           HN       ASP  18   9.882  -5.729  -0.473
  123    HA   ASP  18           HA       ASP  18  11.881  -6.189  -2.553
  124    HB2  ASP  18           HB2      ASP  18  10.326  -4.587  -3.292
  125    HB3  ASP  18           HB1      ASP  18  10.274  -3.781  -1.725
  126    H    GLU  19           HN       GLU  19  13.951  -6.114  -2.116
  127    HA   GLU  19           HA       GLU  19  14.934  -5.547   0.466
  128    HB2  GLU  19           HB2      GLU  19  16.365  -6.018  -2.143
  129    HB3  GLU  19           HB1      GLU  19  17.127  -5.997  -0.566
  130    HG2  GLU  19           HG2      GLU  19  15.863  -7.928   0.126
  131    HG3  GLU  19           HG1      GLU  19  14.974  -7.919  -1.398
  132    H    SER  20           HN       SER  20  14.773  -3.649  -2.495
  133    HA   SER  20           HA       SER  20  16.940  -1.938  -1.854
  134    HB2  SER  20           HB2      SER  20  16.134  -0.534  -3.708
  135    HB3  SER  20           HB1      SER  20  16.192  -2.236  -4.158
  136    HG   SER  20           HG       SER  20  13.912  -2.327  -3.782
  137    H    SER  21           HN       SER  21  13.423  -1.482  -1.587
  138    HA   SER  21           HA       SER  21  13.808   0.974  -0.050
  139    HB2  SER  21           HB2      SER  21  11.215  -0.446  -0.614
  140    HB3  SER  21           HB1      SER  21  11.488   1.269  -0.296
  141    HG   SER  21           HG       SER  21  12.064  -0.228  -2.621
  142    H    GLY  22           HN       GLY  22  12.943  -2.390   0.399
  143    HA2  GLY  22           HA2      GLY  22  13.279  -3.602   2.383
  144    HA3  GLY  22           HA1      GLY  22  13.347  -2.087   3.273
  145    H    TYR  23           HN       TYR  23  10.789  -2.988   1.015
  146    HA   TYR  23           HA       TYR  23   8.909  -3.087   3.282
  147    HB2  TYR  23           HB2      TYR  23   8.324  -1.396   0.854
  148    HB3  TYR  23           HB1      TYR  23   7.465  -1.432   2.391
  149    HD1  TYR  23           HD1      TYR  23   9.214  -0.985   4.443
  150    HD2  TYR  23           HD2      TYR  23   9.517   0.545   0.495
  151    HE1  TYR  23           HE1      TYR  23  10.536   0.885   5.298
  152    HE2  TYR  23           HE2      TYR  23  10.847   2.440   1.324
  153    HH   TYR  23           HH       TYR  23  12.156   2.528   4.456
  154    H    TYR  24           HN       TYR  24   6.564  -3.387   2.202
  155    HA   TYR  24           HA       TYR  24   6.903  -5.918   0.780
  156    HB2  TYR  24           HB2      TYR  24   4.540  -4.852   2.337
  157    HB3  TYR  24           HB1      TYR  24   4.659  -6.458   1.621
  158    HD1  TYR  24           HD1      TYR  24   6.940  -7.727   2.346
  159    HD2  TYR  24           HD2      TYR  24   4.939  -4.717   4.594
  160    HE1  TYR  24           HE1      TYR  24   7.977  -8.579   4.405
  161    HE2  TYR  24           HE2      TYR  24   5.974  -5.563   6.657
  162    HH   TYR  24           HH       TYR  24   8.577  -7.597   6.698
  163    H    TYR  25           HN       TYR  25   6.179  -6.279  -1.181
  164    HA   TYR  25           HA       TYR  25   4.240  -4.419  -2.399
  165    HB2  TYR  25           HB2      TYR  25   6.420  -3.864  -3.319
  166    HB3  TYR  25           HB1      TYR  25   6.755  -5.559  -3.649
  167    HD1  TYR  25           HD1      TYR  25   5.555  -6.714  -5.503
  168    HD2  TYR  25           HD2      TYR  25   5.124  -2.539  -4.823
  169    HE1  TYR  25           HE1      TYR  25   4.624  -6.448  -7.756
  170    HE2  TYR  25           HE2      TYR  25   4.196  -2.261  -7.081
  171    HH   TYR  25           HH       TYR  25   3.129  -4.845  -8.966
  172    H    ASP  26           HN       ASP  26   2.488  -5.470  -3.177
  173    HA   ASP  26           HA       ASP  26   2.671  -8.382  -3.479
  174    HB2  ASP  26           HB2      ASP  26   0.798  -7.754  -2.144
  175    HB3  ASP  26           HB1      ASP  26   0.296  -6.528  -3.307
  176    HA   PRO  27           HA       PRO  27   3.063  -7.744  -7.876
  177    HB2  PRO  27           HB2      PRO  27   2.863 -10.684  -7.920
  178    HB3  PRO  27           HB1      PRO  27   4.169  -9.641  -8.489
  179    HG2  PRO  27           HG2      PRO  27   4.449 -11.134  -6.285
  180    HG3  PRO  27           HG1      PRO  27   5.157  -9.511  -6.398
  181    HD2  PRO  27           HD2      PRO  27   2.637 -10.387  -5.026
  182    HD3  PRO  27           HD1      PRO  27   3.900  -9.273  -4.445
  183    H    THR  28           HN       THR  28   0.559  -9.469  -6.187
  184    HA   THR  28           HA       THR  28  -0.973 -10.250  -8.450
  185    HB   THR  28           HB       THR  28  -2.184  -9.827  -5.769
  186    HG1  THR  28           HG1      THR  28  -0.489 -10.913  -5.029
  187   HG21  THR  28          HG21      THR  28  -3.598 -10.683  -7.560
  188   HG22  THR  28          HG22      THR  28  -3.341 -11.927  -6.334
  189   HG23  THR  28          HG23      THR  28  -2.448 -11.988  -7.855
  190    H    THR  29           HN       THR  29  -1.573  -7.756  -5.972
  191    HA   THR  29           HA       THR  29  -3.544  -6.512  -7.729
  192    HB   THR  29           HB       THR  29  -4.007  -5.046  -5.765
  193    HG1  THR  29           HG1      THR  29  -2.221  -6.801  -4.377
  194   HG21  THR  29          HG21      THR  29  -5.086  -6.766  -4.416
  195   HG22  THR  29          HG22      THR  29  -4.084  -8.007  -5.172
  196   HG23  THR  29          HG23      THR  29  -5.271  -7.126  -6.133
  197    H    GLY  30           HN       GLY  30  -0.308  -6.033  -6.596
  198    HA2  GLY  30           HA2      GLY  30   1.267  -4.569  -7.523
  199    HA3  GLY  30           HA1      GLY  30  -0.041  -3.706  -8.320
  200    H    LEU  31           HN       LEU  31  -0.263  -4.456  -4.952
  201    HA   LEU  31           HA       LEU  31  -0.182  -1.605  -4.388
  202    HB2  LEU  31           HB2      LEU  31  -1.419  -3.943  -3.072
  203    HB3  LEU  31           HB1      LEU  31  -0.872  -2.652  -2.019
  204    HG   LEU  31           HG       LEU  31  -2.228  -1.073  -3.486
  205   HD11  LEU  31          HD11      LEU  31  -3.471  -3.663  -4.375
  206   HD12  LEU  31          HD12      LEU  31  -2.517  -2.577  -5.386
  207   HD13  LEU  31          HD13      LEU  31  -4.065  -2.043  -4.732
  208   HD21  LEU  31          HD21      LEU  31  -3.715  -3.170  -1.916
  209   HD22  LEU  31          HD22      LEU  31  -4.278  -1.539  -2.293
  210   HD23  LEU  31          HD23      LEU  31  -2.889  -1.770  -1.231
  211    H    TYR  32           HN       TYR  32   0.982  -0.689  -2.828
  212    HA   TYR  32           HA       TYR  32   3.366  -2.113  -1.855
  213    HB2  TYR  32           HB2      TYR  32   2.786   0.835  -2.250
  214    HB3  TYR  32           HB1      TYR  32   4.243   0.217  -1.500
  215    HD1  TYR  32           HD1      TYR  32   2.350  -0.462  -4.622
  216    HD2  TYR  32           HD2      TYR  32   6.125   0.348  -2.876
  217    HE1  TYR  32           HE1      TYR  32   3.360  -0.603  -6.830
  218    HE2  TYR  32           HE2      TYR  32   7.166   0.252  -5.099
  219    HH   TYR  32           HH       TYR  32   5.339   0.280  -7.979
  220    H    TYR  33           HN       TYR  33   3.760  -2.073   0.391
  221    HA   TYR  33           HA       TYR  33   2.175  -0.280   2.034
  222    HB2  TYR  33           HB2      TYR  33   0.689  -2.172   1.997
  223    HB3  TYR  33           HB1      TYR  33   2.014  -3.280   2.340
  224    HD1  TYR  33           HD1      TYR  33   0.632  -0.151   3.877
  225    HD2  TYR  33           HD2      TYR  33   2.017  -4.127   4.485
  226    HE1  TYR  33           HE1      TYR  33   0.191   0.069   6.286
  227    HE2  TYR  33           HE2      TYR  33   1.575  -3.921   6.888
  228    HH   TYR  33           HH       TYR  33   1.330  -2.189   8.574
  229    H    ASP  34           HN       ASP  34   3.363   0.541   3.614
  230    HA   ASP  34           HA       ASP  34   5.470  -1.191   4.736
  231    HB2  ASP  34           HB2      ASP  34   6.636   0.550   3.588
  232    HB3  ASP  34           HB1      ASP  34   5.588   1.788   4.276
  233    HA   PRO  35           HA       PRO  35   2.919  -0.705   8.346
  234    HB2  PRO  35           HB2      PRO  35   5.177  -2.085   9.646
  235    HB3  PRO  35           HB1      PRO  35   3.484  -2.568   9.535
  236    HG2  PRO  35           HG2      PRO  35   5.391  -3.829   8.138
  237    HG3  PRO  35           HG1      PRO  35   3.771  -3.563   7.463
  238    HD2  PRO  35           HD2      PRO  35   6.314  -2.063   6.950
  239    HD3  PRO  35           HD1      PRO  35   5.064  -2.585   5.800
  240    H    ASN  36           HN       ASN  36   6.209   0.341   7.940
  241    HA   ASN  36           HA       ASN  36   6.417   1.584  10.536
  242    HB2  ASN  36           HB2      ASN  36   8.192   1.892   8.099
  243    HB3  ASN  36           HB1      ASN  36   8.575   2.425   9.732
  244   HD21  ASN  36          HD21      ASN  36   8.221  -0.314   7.613
  245   HD22  ASN  36          HD22      ASN  36   8.982  -1.474   8.666
  246    H    SER  37           HN       SER  37   5.996   2.689   7.191
  247    HA   SER  37           HA       SER  37   5.580   5.424   8.064
  248    HB2  SER  37           HB2      SER  37   5.255   4.265   5.292
  249    HB3  SER  37           HB1      SER  37   5.495   5.958   5.722
  250    HG   SER  37           HG       SER  37   7.343   3.812   5.971
  251    H    GLN  38           HN       GLN  38   3.756   2.641   7.583
  252    HA   GLN  38           HA       GLN  38   1.595   2.156   7.991
  253    HB2  GLN  38           HB2      GLN  38   1.275   5.109   8.506
  254    HB3  GLN  38           HB1      GLN  38   0.005   3.916   8.737
  255    HG2  GLN  38           HG2      GLN  38   1.501   2.761  10.366
  256    HG3  GLN  38           HG1      GLN  38   2.609   4.123  10.217
  257   HE21  GLN  38          HE21      GLN  38  -0.881   4.390  10.138
  258   HE22  GLN  38          HE22      GLN  38  -1.047   5.217  11.646
  259    H    TYR  39           HN       TYR  39   2.440   4.462   5.533
  260    HA   TYR  39           HA       TYR  39  -0.232   4.394   4.462
  261    HB2  TYR  39           HB2      TYR  39   0.475   5.913   2.722
  262    HB3  TYR  39           HB1      TYR  39   1.008   6.504   4.285
  263    HD1  TYR  39           HD1      TYR  39   1.976   5.300   1.000
  264    HD2  TYR  39           HD2      TYR  39   3.416   6.612   4.779
  265    HE1  TYR  39           HE1      TYR  39   4.174   5.739  -0.020
  266    HE2  TYR  39           HE2      TYR  39   5.629   7.037   3.794
  267    HH   TYR  39           HH       TYR  39   6.886   6.919   1.985
  268    H    TYR  40           HN       TYR  40  -0.854   3.714   2.532
  269    HA   TYR  40           HA       TYR  40   0.523   1.396   1.418
  270    HB2  TYR  40           HB2      TYR  40  -2.307   2.427   1.244
  271    HB3  TYR  40           HB1      TYR  40  -1.703   1.189   0.150
  272    HD1  TYR  40           HD1      TYR  40  -2.439   1.970   3.674
  273    HD2  TYR  40           HD2      TYR  40  -1.505  -1.079   0.859
  274    HE1  TYR  40           HE1      TYR  40  -2.985   0.270   5.352
  275    HE2  TYR  40           HE2      TYR  40  -2.049  -2.797   2.534
  276    HH   TYR  40           HH       TYR  40  -2.222  -3.044   4.935
  277    H    TYR  41           HN       TYR  41   0.145   1.248  -1.038
  278    HA   TYR  41           HA       TYR  41  -0.122   3.742  -2.413
  279    HB2  TYR  41           HB2      TYR  41   2.087   4.229  -2.161
  280    HB3  TYR  41           HB1      TYR  41   2.527   2.571  -1.828
  281    HD1  TYR  41           HD1      TYR  41   0.774   3.041  -4.922
  282    HD2  TYR  41           HD2      TYR  41   4.649   3.190  -3.149
  283    HE1  TYR  41           HE1      TYR  41   1.795   3.007  -7.139
  284    HE2  TYR  41           HE2      TYR  41   5.664   3.159  -5.363
  285    HH   TYR  41           HH       TYR  41   3.779   3.507  -8.232
  286    H    ASN  42           HN       ASN  42  -1.338   3.294  -4.104
  287    HA   ASN  42           HA       ASN  42  -1.274   0.564  -5.178
  288    HB2  ASN  42           HB2      ASN  42  -3.398   2.700  -5.382
  289    HB3  ASN  42           HB1      ASN  42  -3.457   1.176  -6.260
  290   HD21  ASN  42          HD21      ASN  42  -5.311   0.459  -5.274
  291   HD22  ASN  42          HD22      ASN  42  -5.363  -0.022  -3.616
  292    H    SER  43           HN       SER  43   0.180   0.433  -6.775
  293    HA   SER  43           HA       SER  43   0.724   2.671  -8.485
  294    HB2  SER  43           HB2      SER  43   2.556   1.206  -7.920
  295    HB3  SER  43           HB1      SER  43   1.697  -0.197  -8.589
  296    HG   SER  43           HG       SER  43   1.724   1.174 -10.617
  297    H    LEU  44           HN       LEU  44  -1.785   0.571  -8.398
  298    HA   LEU  44           HA       LEU  44  -2.360   0.190 -11.138
  299    HB2  LEU  44           HB2      LEU  44  -4.258   0.624  -8.824
  300    HB3  LEU  44           HB1      LEU  44  -4.713   0.020 -10.406
  301    HG   LEU  44           HG       LEU  44  -2.841  -1.389  -8.508
  302   HD11  LEU  44          HD11      LEU  44  -5.110  -1.285  -7.625
  303   HD12  LEU  44          HD12      LEU  44  -4.694  -2.925  -8.124
  304   HD13  LEU  44          HD13      LEU  44  -5.735  -1.930  -9.142
  305   HD21  LEU  44          HD21      LEU  44  -2.431  -1.898 -10.865
  306   HD22  LEU  44          HD22      LEU  44  -4.134  -2.307 -11.076
  307   HD23  LEU  44          HD23      LEU  44  -3.116  -3.284 -10.018
  308    H    THR  45           HN       THR  45  -2.816   2.831  -8.885
  309    HA   THR  45           HA       THR  45  -3.670   4.559 -11.108
  310    HB   THR  45           HB       THR  45  -4.669   6.027  -9.348
  311    HG1  THR  45           HG1      THR  45  -4.992   4.844  -7.262
  312   HG21  THR  45          HG21      THR  45  -5.678   3.178  -9.352
  313   HG22  THR  45          HG22      THR  45  -6.063   4.409 -10.556
  314   HG23  THR  45          HG23      THR  45  -6.613   4.602  -8.891
  315    H    GLN  46           HN       GLN  46  -1.071   3.684  -9.522
  316    HA   GLN  46           HA       GLN  46   0.933   4.511  -8.903
  317    HB2  GLN  46           HB2      GLN  46   0.194   6.647 -10.898
  318    HB3  GLN  46           HB1      GLN  46   1.803   6.409 -10.226
  319    HG2  GLN  46           HG2      GLN  46   2.029   5.242 -12.150
  320    HG3  GLN  46           HG1      GLN  46   1.428   3.958 -11.106
  321   HE21  GLN  46          HE21      GLN  46   0.583   2.801 -12.843
  322   HE22  GLN  46          HE22      GLN  46  -0.850   3.308 -13.671
  323    H    GLN  47           HN       GLN  47  -0.953   5.047  -7.046
  324    HA   GLN  47           HA       GLN  47  -0.283   7.770  -6.157
  325    HB2  GLN  47           HB2      GLN  47  -2.949   6.374  -6.077
  326    HB3  GLN  47           HB1      GLN  47  -2.586   7.786  -5.087
  327    HG2  GLN  47           HG2      GLN  47  -2.020   8.993  -7.230
  328    HG3  GLN  47           HG1      GLN  47  -2.725   7.616  -8.081
  329   HE21  GLN  47          HE21      GLN  47  -4.933   7.275  -7.978
  330   HE22  GLN  47          HE22      GLN  47  -6.033   8.488  -7.420
  331    H    TYR  48           HN       TYR  48   0.208   8.042  -4.067
  332    HA   TYR  48           HA       TYR  48   0.547   5.768  -2.344
  333    HB2  TYR  48           HB2      TYR  48   0.920   8.730  -2.062
  334    HB3  TYR  48           HB1      TYR  48   0.898   7.717  -0.627
  335    HD1  TYR  48           HD1      TYR  48   3.156   8.973  -0.518
  336    HD2  TYR  48           HD2      TYR  48   2.374   5.832  -3.281
  337    HE1  TYR  48           HE1      TYR  48   5.547   8.559  -0.723
  338    HE2  TYR  48           HE2      TYR  48   4.774   5.415  -3.525
  339    HH   TYR  48           HH       TYR  48   7.044   6.650  -1.377
  340    H    LEU  49           HN       LEU  49  -0.894   4.982  -0.932
  341    HA   LEU  49           HA       LEU  49  -3.384   6.493  -0.533
  342    HB2  LEU  49           HB2      LEU  49  -3.038   3.623  -1.360
  343    HB3  LEU  49           HB1      LEU  49  -4.506   4.188  -0.594
  344    HG   LEU  49           HG       LEU  49  -3.371   5.165  -3.196
  345   HD11  LEU  49          HD11      LEU  49  -5.258   4.186  -4.263
  346   HD12  LEU  49          HD12      LEU  49  -5.922   3.684  -2.713
  347   HD13  LEU  49          HD13      LEU  49  -4.432   2.955  -3.309
  348   HD21  LEU  49          HD21      LEU  49  -4.413   7.012  -2.068
  349   HD22  LEU  49          HD22      LEU  49  -5.846   6.037  -1.743
  350   HD23  LEU  49          HD23      LEU  49  -5.438   6.481  -3.401
  351    H    TYR  50           HN       TYR  50  -4.764   5.139   1.140
  352    HA   TYR  50           HA       TYR  50  -3.202   4.034   3.302
  353    HB2  TYR  50           HB2      TYR  50  -2.852   6.268   3.909
  354    HB3  TYR  50           HB1      TYR  50  -4.442   6.772   3.365
  355    HD1  TYR  50           HD1      TYR  50  -5.989   7.319   5.022
  356    HD2  TYR  50           HD2      TYR  50  -2.923   4.507   5.892
  357    HE1  TYR  50           HE1      TYR  50  -6.800   7.152   7.341
  358    HE2  TYR  50           HE2      TYR  50  -3.704   4.336   8.199
  359    HH   TYR  50           HH       TYR  50  -5.018   5.420   9.798
  360    H    TRP  51           HN       TRP  51  -4.407   2.578   4.429
  361    HA   TRP  51           HA       TRP  51  -7.076   2.065   3.523
  362    HB2  TRP  51           HB2      TRP  51  -5.688   0.163   4.096
  363    HB3  TRP  51           HB1      TRP  51  -5.442   0.783   5.708
  364    HD1  TRP  51           HD1      TRP  51  -6.716  -0.744   7.351
  365    HE1  TRP  51           HE1      TRP  51  -9.053  -1.807   7.425
  366    HE3  TRP  51           HE3      TRP  51  -8.353   0.738   2.783
  367    HZ2  TRP  51           HZ2      TRP  51 -11.301  -1.983   5.732
  368    HZ3  TRP  51           HZ3      TRP  51 -10.583   0.098   2.084
  369    HH2  TRP  51           HH2      TRP  51 -12.047  -1.245   3.515
  370    H    ASP  52           HN       ASP  52  -8.535   3.510   4.047
  371    HA   ASP  52           HA       ASP  52  -8.492   5.059   6.425
  372    HB2  ASP  52           HB2      ASP  52  -9.488   5.978   4.436
  373    HB3  ASP  52           HB1      ASP  52 -10.625   4.640   4.325
  374    H    GLY  53           HN       GLY  53 -10.422   2.296   5.363
  375    HA2  GLY  53           HA2      GLY  53 -11.207   0.594   6.775
  376    HA3  GLY  53           HA1      GLY  53 -10.916   1.637   8.158
  377    H    GLU  54           HN       GLU  54 -12.341   3.863   7.618
  378    HA   GLU  54           HA       GLU  54 -14.961   2.976   8.296
  379    HB2  GLU  54           HB2      GLU  54 -14.005   5.758   7.606
  380    HB3  GLU  54           HB1      GLU  54 -15.516   5.357   8.409
  381    HG2  GLU  54           HG2      GLU  54 -14.213   4.406  10.285
  382    HG3  GLU  54           HG1      GLU  54 -12.736   4.949   9.486
  383    H    LYS  55           HN       LYS  55 -13.637   4.749   5.515
  384    HA   LYS  55           HA       LYS  55 -16.152   4.660   4.101
  385    HB2  LYS  55           HB2      LYS  55 -13.431   5.362   2.991
  386    HB3  LYS  55           HB1      LYS  55 -14.997   5.820   2.336
  387    HG2  LYS  55           HG2      LYS  55 -13.875   6.738   4.975
  388    HG3  LYS  55           HG1      LYS  55 -13.885   7.677   3.483
  389    HD2  LYS  55           HD2      LYS  55 -16.244   7.842   3.493
  390    HD3  LYS  55           HD1      LYS  55 -16.396   6.596   4.734
  391    HE2  LYS  55           HE2      LYS  55 -16.762   8.873   5.615
  392    HE3  LYS  55           HE1      LYS  55 -15.407   8.045   6.381
  393    HZ1  LYS  55           HZ1      LYS  55 -13.882   9.305   5.025
  394    HZ2  LYS  55           HZ2      LYS  55 -14.906  10.361   5.860
  395    HZ3  LYS  55           HZ3      LYS  55 -15.164  10.058   4.207
  396    H    GLU  56           HN       GLU  56 -13.697   2.508   4.651
  397    HA   GLU  56           HA       GLU  56 -13.106   0.485   3.872
  398    HB2  GLU  56           HB2      GLU  56 -15.875   0.677   2.714
  399    HB3  GLU  56           HB1      GLU  56 -14.876  -0.760   2.536
  400    HG2  GLU  56           HG2      GLU  56 -14.742  -0.988   4.949
  401    HG3  GLU  56           HG1      GLU  56 -15.705   0.474   5.153
  402    H    THR  57           HN       THR  57 -12.188   2.723   2.426
  403    HA   THR  57           HA       THR  57 -11.375   1.289   0.045
  404    HB   THR  57           HB       THR  57 -13.305   2.697  -0.687
  405    HG1  THR  57           HG1      THR  57 -12.293   3.185  -2.534
  406   HG21  THR  57          HG21      THR  57 -13.027   4.571   0.853
  407   HG22  THR  57          HG22      THR  57 -13.018   5.126  -0.822
  408   HG23  THR  57          HG23      THR  57 -11.502   4.995   0.072
  409    H    TYR  58           HN       TYR  58  -9.701   2.900  -1.131
  410    HA   TYR  58           HA       TYR  58  -7.732   3.477   0.964
  411    HB2  TYR  58           HB2      TYR  58  -7.406   2.980  -1.987
  412    HB3  TYR  58           HB1      TYR  58  -6.096   3.364  -0.881
  413    HD1  TYR  58           HD1      TYR  58  -6.159   1.786   1.337
  414    HD2  TYR  58           HD2      TYR  58  -7.623   0.753  -2.520
  415    HE1  TYR  58           HE1      TYR  58  -5.907  -0.598   1.885
  416    HE2  TYR  58           HE2      TYR  58  -7.371  -1.634  -1.986
  417    HH   TYR  58           HH       TYR  58  -6.027  -3.049  -0.430
  418    H    VAL  59           HN       VAL  59  -7.601   5.465   1.603
  419    HA   VAL  59           HA       VAL  59  -8.288   7.669  -0.202
  420    HB   VAL  59           HB       VAL  59  -8.147   9.059   1.910
  421   HG11  VAL  59          HG11      VAL  59 -10.079   6.741   1.916
  422   HG12  VAL  59          HG12      VAL  59 -10.287   8.273   1.063
  423   HG13  VAL  59          HG13      VAL  59 -10.272   8.240   2.828
  424   HG21  VAL  59          HG21      VAL  59  -7.974   6.371   3.257
  425   HG22  VAL  59          HG22      VAL  59  -8.135   7.939   4.049
  426   HG23  VAL  59          HG23      VAL  59  -6.666   7.549   3.155
  427    HA   PRO  60           HA       PRO  60  -4.068   8.614  -1.036
  428    HB2  PRO  60           HB2      PRO  60  -4.288  11.381  -1.168
  429    HB3  PRO  60           HB1      PRO  60  -4.600  10.262  -2.498
  430    HG2  PRO  60           HG2      PRO  60  -6.518  11.614  -0.667
  431    HG3  PRO  60           HG1      PRO  60  -6.682  11.222  -2.386
  432    HD2  PRO  60           HD2      PRO  60  -7.917   9.791  -0.465
  433    HD3  PRO  60           HD1      PRO  60  -7.323   9.052  -1.966
  434    H    ALA  61           HN       ALA  61  -2.357   8.780   0.241
  435    HA   ALA  61           HA       ALA  61  -2.703   9.570   2.985
  436    HB1  ALA  61           HB1      ALA  61  -1.377   7.601   2.383
  437    HB2  ALA  61           HB2      ALA  61  -0.425   8.776   3.291
  438    HB3  ALA  61           HB3      ALA  61  -0.223   8.638   1.543
  439    H    ALA  62           HN       ALA  62  -3.230  11.829   2.288
  440    HA   ALA  62           HA       ALA  62  -0.761  13.427   2.071
  441    HB1  ALA  62           HB1      ALA  62  -3.546  14.150   1.157
  442    HB2  ALA  62           HB2      ALA  62  -2.194  13.700   0.118
  443    HB3  ALA  62           HB3      ALA  62  -2.127  15.193   1.053
  444    H    GLU  63           HN       GLU  63  -0.250  14.140   4.039
  445    HA   GLU  63           HA       GLU  63  -2.278  14.611   6.033
  446    HB2  GLU  63           HB2      GLU  63  -0.355  15.205   7.497
  447    HB3  GLU  63           HB1      GLU  63  -0.226  13.607   6.783
  448    HG2  GLU  63           HG2      GLU  63   1.362  14.430   5.154
  449    HG3  GLU  63           HG1      GLU  63   1.195  16.065   5.790
  450    H    SER  64           HN       SER  64  -3.167  16.485   6.554
  451    HA   SER  64           HA       SER  64  -2.507  18.806   4.958
  452    HB2  SER  64           HB2      SER  64  -4.582  19.668   6.355
  453    HB3  SER  64           HB1      SER  64  -4.801  18.537   5.019
  454    HG   SER  64           HG       SER  64  -5.485  18.206   7.554
  455    H1   GLY 100           HT1      GLY 100   8.099  11.306 -14.406
  456    H2   GLY 100           HT2      GLY 100   9.003  12.029 -13.165
  457    H3   GLY 100           HT3      GLY 100   7.479  11.361 -12.827
  458    HA2  GLY 100           HA1      GLY 100   9.850   9.826 -13.736
  459    HA3  GLY 100           HA2      GLY 100   9.291   9.925 -12.071
  460    H    MET 101           HN       MET 101   9.391   7.483 -12.688
  461    HA   MET 101           HA       MET 101   7.045   6.482 -14.022
  462    HB2  MET 101           HB2      MET 101   7.843   4.301 -13.404
  463    HB3  MET 101           HB1      MET 101   9.242   5.254 -13.869
  464    HG2  MET 101           HG2      MET 101   9.744   5.653 -11.496
  465    HG3  MET 101           HG1      MET 101   8.363   4.641 -11.040
  466    HE1  MET 101           HE1      MET 101   9.825   3.082  -9.539
  467    HE2  MET 101           HE2      MET 101  11.224   4.104  -9.875
  468    HE3  MET 101           HE3      MET 101  11.348   2.354 -10.054
  469    H    ARG 102           HN       ARG 102   6.300   4.437 -12.200
  470    HA   ARG 102           HA       ARG 102   4.532   5.596 -10.382
  471    HB2  ARG 102           HB2      ARG 102   4.352   3.406  -9.393
  472    HB3  ARG 102           HB1      ARG 102   4.565   3.181 -11.137
  473    HG2  ARG 102           HG2      ARG 102   6.950   2.721 -10.768
  474    HG3  ARG 102           HG1      ARG 102   6.703   2.966  -9.027
  475    HD2  ARG 102           HD2      ARG 102   6.743   0.626  -9.460
  476    HD3  ARG 102           HD1      ARG 102   5.104   1.094  -9.033
  477    HE   ARG 102           HE       ARG 102   5.375   1.059 -11.839
  478   HH11  ARG 102          HH11      ARG 102   5.255  -1.048  -9.060
  479   HH12  ARG 102          HH12      ARG 102   4.613  -2.403  -9.936
  480   HH21  ARG 102          HH21      ARG 102   4.533  -0.720 -13.021
  481   HH22  ARG 102          HH22      ARG 102   4.200  -2.218 -12.195
  482    HA   PRO 103           HA       PRO 103   7.160   6.645  -6.831
  483    HB2  PRO 103           HB2      PRO 103   5.488   5.750  -4.845
  484    HB3  PRO 103           HB1      PRO 103   5.326   7.330  -5.632
  485    HG2  PRO 103           HG2      PRO 103   3.939   4.753  -6.172
  486    HG3  PRO 103           HG1      PRO 103   3.233   6.343  -6.028
  487    HD2  PRO 103           HD2      PRO 103   3.650   5.302  -8.434
  488    HD3  PRO 103           HD1      PRO 103   4.032   7.017  -8.154
  489    HA   PRO 104           HA       PRO 104   8.688   2.631  -5.368
  490    HB2  PRO 104           HB2      PRO 104  10.279   3.398  -3.447
  491    HB3  PRO 104           HB1      PRO 104  10.511   4.105  -5.053
  492    HG2  PRO 104           HG2      PRO 104   9.106   5.247  -2.671
  493    HG3  PRO 104           HG1      PRO 104  10.252   6.031  -3.747
  494    HD2  PRO 104           HD2      PRO 104   7.480   6.175  -3.947
  495    HD3  PRO 104           HD1      PRO 104   8.607   6.576  -5.242
  496    HA   PRO 105           HA       PRO 105   6.369   1.067  -1.912
  497    HB2  PRO 105           HB2      PRO 105   8.861   0.215  -0.542
  498    HB3  PRO 105           HB1      PRO 105   7.469  -0.751  -1.040
  499    HG2  PRO 105           HG2      PRO 105   9.808  -0.880  -2.344
  500    HG3  PRO 105           HG1      PRO 105   8.260  -1.017  -3.191
  501    HD2  PRO 105           HD2      PRO 105  10.137   1.294  -3.032
  502    HD3  PRO 105           HD1      PRO 105   9.138   0.747  -4.390
  503    HA   PRO 106           HA       PRO 106   6.084   4.402   0.800
  504    HB2  PRO 106           HB2      PRO 106   5.200   2.405   2.830
  505    HB3  PRO 106           HB1      PRO 106   4.399   3.881   2.278
  506    HG2  PRO 106           HG2      PRO 106   3.566   1.474   1.476
  507    HG3  PRO 106           HG1      PRO 106   3.539   2.873   0.389
  508    HD2  PRO 106           HD2      PRO 106   5.389   0.553   0.440
  509    HD3  PRO 106           HD1      PRO 106   4.824   1.516  -0.933
  510    H    GLY 107           HN       GLY 107   7.581   5.388   1.958
  511    HA2  GLY 107           HA2      GLY 107   8.879   5.227   4.125
  512    HA3  GLY 107           HA1      GLY 107   9.469   3.698   3.464
  513    H    ILE 108           HN       ILE 108  10.674   3.726   1.538
  514    HA   ILE 108           HA       ILE 108  12.844   4.228   0.974
  515    HB   ILE 108           HB       ILE 108  12.809   5.983  -0.826
  516   HG12  ILE 108          HG12      ILE 108  10.788   7.210   0.207
  517   HG13  ILE 108          HG11      ILE 108  10.817   7.010  -1.540
  518   HG21  ILE 108          HG21      ILE 108  10.609   4.086  -1.439
  519   HG22  ILE 108          HG22      ILE 108  12.141   3.409  -0.862
  520   HG23  ILE 108          HG23      ILE 108  12.117   4.422  -2.304
  521   HD11  ILE 108          HD11      ILE 108   9.345   4.969  -1.200
  522   HD12  ILE 108          HD12      ILE 108   8.617   6.549  -0.863
  523   HD13  ILE 108          HD13      ILE 108   9.152   5.526   0.472
  524    H    ARG 109           HN       ARG 109  12.950   5.049   3.405
  525    HA   ARG 109           HA       ARG 109  13.634   7.882   3.527
  526    HB2  ARG 109           HB2      ARG 109  13.400   5.793   5.706
  527    HB3  ARG 109           HB1      ARG 109  13.798   7.482   5.981
  528    HG2  ARG 109           HG2      ARG 109  11.615   8.132   5.065
  529    HG3  ARG 109           HG1      ARG 109  11.220   6.427   4.838
  530    HD2  ARG 109           HD2      ARG 109  11.896   7.683   7.497
  531    HD3  ARG 109           HD1      ARG 109  10.256   7.433   6.902
  532    HE   ARG 109           HE       ARG 109  11.392   4.959   6.756
  533   HH11  ARG 109          HH11      ARG 109  11.163   7.306   9.349
  534   HH12  ARG 109          HH12      ARG 109  10.913   6.104  10.581
  535   HH21  ARG 109          HH21      ARG 109  11.104   3.392   8.356
  536   HH22  ARG 109          HH22      ARG 109  10.885   3.866  10.018
  537    H    GLY 110           HN       GLY 110  15.648   8.558   4.465
  538    HA2  GLY 110           HA2      GLY 110  17.789   7.029   5.216
  539    HA3  GLY 110           HA1      GLY 110  17.874   7.078   3.459