*HEADER    IMMUNE SYSTEM                           16-MAY-08   2K3U              
*TITLE     STRUCTURE OF THE TYROSINE-SULFATED C5A RECEPTOR N-TERMINUS            
*TITLE    2 IN COMPLEX WITH THE IMMUNE EVASION PROTEIN CHIPS.                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CHEMOTAXIS INHIBITORY PROTEIN;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: CHEMOTAXIS INHIBITING PROTEIN CHIPS(59-149).;              
*COMPND   5 SYNONYM: CHIPS;                                                      
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MOL_ID: 2;                                                           
*COMPND   8 MOLECULE: C5AR(P7-28S) PEPTIDE;                                      
*COMPND   9 CHAIN: B;                                                            
*COMPND  10 FRAGMENT: C5AR(P7-28S);                                              
*COMPND  11 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS             
*SOURCE   3 STR. NEWMAN;                                                         
*SOURCE   4 ORGANISM_TAXID: 426430;                                              
*SOURCE   5 GENE: CHP, NWMN_1877;                                                
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   9 EXPRESSION_SYSTEM_VARIANT: DE3;                                      
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  11 EXPRESSION_SYSTEM_PLASMID: PRSET B;                                  
*SOURCE  12 MOL_ID: 2;                                                           
*SOURCE  13 SYNTHETIC: YES;                                                      
*SOURCE  14 OTHER_DETAILS: FMOC/TBU-BASED PEPTIDE SYNTHESIS. SULFATED            
*SOURCE  15 TYROSINES 11 AND 14 WERE INTRODUCED AS FMOC-2-CHLOROTRITYL           
*SOURCE  16 PROTECTED BUILDING BLOCKS.                                           
*KEYWDS    CHEMOTAXIS INHIBITORY PROTEIN (CHIPS), SULFATED TYROSINE,             
*KEYWDS   2 GPCR MEMBRANE PROTEIN C5AR, ANAPHYLOTOXIN C5A,                       
*KEYWDS   3 STAPHYLOCOCCUS AUREUS, COMPLEMENT CASCADE, SECRETED,                 
*KEYWDS   4 VIRULENCE, IMMUNE SYSTEM                                             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    25                                                                    
*AUTHOR    J.H.IPPEL, A.BUNSCHOTEN, J.KEMMINK, R.LISKAMP                         
*REVDAT   2   15-NOV-23 2K3U    1                                                
*REVDAT   1   10-MAR-09 2K3U    0                                                


! CHIPS-C5aR(P7-28S) Aria1.2 protein-protein and peptide-peptide restraint file converted
! from XPLOR to Yasara XPLOR format.
!
! The difference lies in the order of the OR statement in the floating assignment protocol.
!
! Unambiguous and ambiguous restraints for both CHIPS(31-121) and C5aR(P7-28S) were separately
! taken directly from the Aria1.2 program, here merged here into one big file.
! Some restraint peaks of the two Aria runs are commented out, as they they show up as 
! relatively large distance violations in the final complex. These violations originate 
! from protein regions, that were flexible in first instance, but rather become conformationally 
! restricted during docking of the peptide substrate in the second docking stage of the
! structure calculation.
!
! Standard Aria1.2 parameters and protocols were used to generate the restraints.
!
! Note that residues of chain A (31-121) and B (7-28) do not overlap in sequence numbering.
! So, the "SEGID" statements in the restraints have not been used in this file. Please
! rename segid from "    " to "A   " for the residue range 31-131 (CHIPS protein) and 
! "B   " for the residue range 7-28 (C5aR peptide), in order to introduce the correct PDB
! chain numbers in the segment identification.  
!
! Unambiguous Aria1.2 Restraints CHIPS(31-121):
! -----------------------------------   
 ASSI !    3!
   (( segid "    " and resid 31   and name HD21))
   (( segid "    " and resid 31   and name HD22))
      2.300     0.700     0.700 peak     3 spectrum    1 weight  0.10000E+01 volume  0.32662E-02 ppm1      7.746 ppm2      7.008 CV     1
 ASSI !    9!
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.200     1.300     1.300 peak     9 spectrum    1 weight  0.10000E+01 volume  0.40357E-02 ppm1      8.147 ppm2      1.655 CV     1
 ASSI !   11!
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD1#))
      3.900     1.900     1.900 peak    11 spectrum    1 weight  0.10000E+01 volume  0.87889E-03 ppm1      8.146 ppm2      0.963 CV     1
 ASSI !   13!
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 35   and name HD1 ))
      4.900     3.000     1.100 peak    13 spectrum    1 weight  0.10000E+01 volume  0.48559E-03 ppm1      8.143 ppm2      3.868 CV     1
 ASSI !   18!
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35  and name HG1 ) or ( segid "    " and resid 35  and name HG2 ))
      5.100     3.300     0.900 peak    18 spectrum    1 weight  0.10000E+01 volume  0.39006E-03 ppm1      7.310 ppm2      1.944 CV     1
 ASSI !   20!
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HN  ))
      3.600     1.600     1.600 peak    20 spectrum    1 weight  0.10000E+01 volume  0.51927E-03 ppm1      7.303 ppm2      8.449 CV     1
 ASSI !   22!
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB  ))
      3.700     1.700     1.700 peak    22 spectrum    1 weight  0.10000E+01 volume  0.97409E-03 ppm1      7.296 ppm2      4.496 CV     1
 ASSI !   25!
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.400     2.400     1.600 peak    25 spectrum    1 weight  0.10000E+01 volume  0.46312E-03 ppm1      7.304 ppm2      9.071 CV     1
 ASSI !   26!
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 40  and name HB2 ) or ( segid "    " and resid 40  and name HB1 ))
      3.000     1.100     1.100 peak    26 spectrum    1 weight  0.10000E+01 volume  0.19554E-02 ppm1      7.294 ppm2      1.825 CV     1
 ASSI !   27!
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 40  and name HD1 ) or ( segid "    " and resid 40  and name HD2 ))
      5.000     3.100     1.000 peak    27 spectrum    1 weight  0.10000E+01 volume  0.33756E-03 ppm1      7.300 ppm2      1.709 CV     1
 ASSI !   28!
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 40   and name HG1 ))
      4.100     2.100     1.900 peak    28 spectrum    1 weight  0.10000E+01 volume  0.39909E-03 ppm1      7.302 ppm2      1.543 CV     1
 ASSI !   29!
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      4.500     2.500     1.500 peak    29 spectrum    1 weight  0.10000E+01 volume  0.34935E-03 ppm1      7.301 ppm2      1.432 CV     1
 ASSI !   30!
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      4.100     2.100     1.900 peak    30 spectrum    1 weight  0.10000E+01 volume  0.32407E-03 ppm1      7.306 ppm2      8.030 CV     1
 ASSI !   31!
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      4.600     2.600     1.400 peak    31 spectrum    1 weight  0.10000E+01 volume  0.37176E-03 ppm1      7.306 ppm2      4.333 CV     1
 ASSI !   33!
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 89   and name HD2#)
      5.200     3.400     0.800 peak    33 spectrum    1 weight  0.10000E+01 volume  0.24579E-03 ppm1      7.297 ppm2      0.223 CV     1
 ASSI !   34!
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      4.600     2.700     1.400 peak    34 spectrum    1 weight  0.10000E+01 volume  0.30710E-03 ppm1      7.303 ppm2      8.227 CV     1
 ASSI !   38!
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB  ))
      2.800     1.000     1.000 peak    38 spectrum    1 weight  0.10000E+01 volume  0.25464E-02 ppm1      9.069 ppm2      4.504 CV     1
 ASSI !   40!
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.600     0.900     0.900 peak    40 spectrum    1 weight  0.10000E+01 volume  0.19053E-02 ppm1      9.066 ppm2      3.830 CV     1
 ASSI !   42!
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      2.300     0.600     0.600 peak    42 spectrum    1 weight  0.10000E+01 volume  0.28808E-02 ppm1      9.065 ppm2      1.009 CV     1
 ASSI !   43!
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HD1#)
      4.000     2.000     2.000 peak    43 spectrum    1 weight  0.10000E+01 volume  0.13006E-02 ppm1      9.065 ppm2      0.847 CV     1
 ASSI !   47!
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      5.200     3.400     0.800 peak    47 spectrum    1 weight  0.10000E+01 volume  0.26522E-03 ppm1      9.066 ppm2      3.758 CV     1
 ASSI !   49!
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 80   and name HD1#)
      4.900     2.900     1.100 peak    49 spectrum    1 weight  0.10000E+01 volume  0.45440E-03 ppm1      9.070 ppm2      0.710 CV     1
 ASSI !   50!
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 87   and name HB  ))
      4.300     2.300     1.700 peak    50 spectrum    1 weight  0.10000E+01 volume  0.12108E-02 ppm1      9.065 ppm2      2.071 CV     1
 ASSI !   51!
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 87   and name HG2#)
      3.700     1.700     1.700 peak    51 spectrum    1 weight  0.10000E+01 volume  0.28808E-02 ppm1      9.065 ppm2      0.988 CV     1
 ASSI !   52!
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      3.900     1.900     1.900 peak    52 spectrum    1 weight  0.10000E+01 volume  0.88612E-03 ppm1      9.064 ppm2      6.987 CV     1
 ASSI !   53!
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      3.700     1.700     1.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.10544E-02 ppm1      9.062 ppm2      4.338 CV     1
 ASSI !   54!
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 89   and name HB1 ))
      5.400     3.600     0.600 peak    54 spectrum    1 weight  0.10000E+01 volume  0.36423E-03 ppm1      9.069 ppm2      1.753 CV     1
 ASSI !   55!
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 89   and name HD1#)
      3.800     1.800     1.800 peak    55 spectrum    1 weight  0.10000E+01 volume  0.74878E-03 ppm1      9.062 ppm2      0.640 CV     1
 ASSI !   56!
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 89   and name HD2#)
      3.500     1.500     1.500 peak    56 spectrum    1 weight  0.10000E+01 volume  0.12819E-02 ppm1      9.063 ppm2      0.233 CV     1
 ASSI !   57!
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 89   and name HG  ))
      3.400     1.400     1.400 peak    57 spectrum    1 weight  0.10000E+01 volume  0.65392E-03 ppm1      9.069 ppm2      1.312 CV     1
 ASSI !   58!
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      4.200     2.200     1.800 peak    58 spectrum    1 weight  0.10000E+01 volume  0.68062E-03 ppm1      9.069 ppm2      8.231 CV     1
 ASSI !   59!
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      4.200     2.200     1.800 peak    59 spectrum    1 weight  0.10000E+01 volume  0.56014E-03 ppm1      8.753 ppm2      5.234 CV     1
 ASSI !   60!
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HB  ))
      2.800     1.000     1.000 peak    60 spectrum    1 weight  0.10000E+01 volume  0.17533E-02 ppm1      8.754 ppm2      4.505 CV     1
 ASSI !   61!
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 37   and name HG2#)
      4.200     2.200     1.800 peak    61 spectrum    1 weight  0.10000E+01 volume  0.13726E-02 ppm1      8.752 ppm2      1.152 CV     1
 ASSI !   62!
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      3.300     1.300     1.300 peak    62 spectrum    1 weight  0.10000E+01 volume  0.15370E-02 ppm1      8.754 ppm2      2.158 CV     1
 ASSI !   63!
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB2 ))
      3.000     1.200     1.200 peak    63 spectrum    1 weight  0.10000E+01 volume  0.99136E-03 ppm1      8.752 ppm2      1.015 CV     1
 ASSI !   64!
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HD1#)
      4.800     2.800     1.200 peak    64 spectrum    1 weight  0.10000E+01 volume  0.74317E-03 ppm1      8.751 ppm2      0.846 CV     1
 ASSI !   66!
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG  ))
      4.100     2.100     1.900 peak    66 spectrum    1 weight  0.10000E+01 volume  0.79982E-03 ppm1      8.755 ppm2      1.418 CV     1
 ASSI !   67!
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.600     0.800     0.800 peak    67 spectrum    1 weight  0.10000E+01 volume  0.23279E-02 ppm1      8.753 ppm2      9.069 CV     1
 ASSI !   68!
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA1 ))
      2.300     0.600     0.600 peak    68 spectrum    1 weight  0.10000E+01 volume  0.46113E-02 ppm1      8.753 ppm2      3.971 CV     1
 ASSI !   69!
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      2.800     1.000     1.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.34368E-02 ppm1      8.751 ppm2      3.769 CV     1
 ASSI !   71!
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      4.800     2.900     1.200 peak    71 spectrum    1 weight  0.10000E+01 volume  0.46038E-03 ppm1      8.753 ppm2      4.231 CV     1
 ASSI !   72!
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HG1 ))
      5.500     3.800     0.500 peak    72 spectrum    1 weight  0.10000E+01 volume  0.21230E-03 ppm1      8.752 ppm2      1.541 CV     1
 ASSI !   74!
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      4.400     2.400     1.600 peak    74 spectrum    1 weight  0.10000E+01 volume  0.41706E-03 ppm1      8.752 ppm2      1.756 CV     1
 ASSI !   75!
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      4.300     2.300     1.700 peak    75 spectrum    1 weight  0.10000E+01 volume  0.46241E-03 ppm1      8.752 ppm2      8.037 CV     1
 ASSI !   76!
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 80   and name HD1#)
      3.700     1.700     1.700 peak    76 spectrum    1 weight  0.10000E+01 volume  0.19329E-02 ppm1      8.751 ppm2      0.711 CV     1
 ASSI !   77!
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.800     1.000     1.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.35763E-02 ppm1      8.754 ppm2      3.552 CV     1
 ASSI !   78!
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 85  and name HB1 ) or ( segid "    " and resid 85  and name HB2 ))
      4.400     2.400     1.600 peak    78 spectrum    1 weight  0.10000E+01 volume  0.10462E-02 ppm1      8.753 ppm2      1.841 CV     1
 ASSI !   79!
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 85  and name HD2 ) or ( segid "    " and resid 85  and name HD1 ))
      5.100     3.300     0.900 peak    79 spectrum    1 weight  0.10000E+01 volume  0.54473E-03 ppm1      8.752 ppm2      1.672 CV     1
 ASSI !   81!
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 85   and name HG2 ))
      4.700     2.800     1.300 peak    81 spectrum    1 weight  0.10000E+01 volume  0.67535E-03 ppm1      8.751 ppm2      1.331 CV     1
 ASSI !   82!
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 87   and name HB  ))
      4.700     2.700     1.300 peak    82 spectrum    1 weight  0.10000E+01 volume  0.51483E-03 ppm1      8.752 ppm2      2.068 CV     1
 ASSI !   83!
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      3.800     1.800     1.800 peak    83 spectrum    1 weight  0.10000E+01 volume  0.61147E-03 ppm1      8.754 ppm2      6.988 CV     1
 ASSI !   84!
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 89   and name HD1#)
      4.900     3.000     1.100 peak    84 spectrum    1 weight  0.10000E+01 volume  0.27634E-03 ppm1      8.751 ppm2      0.639 CV     1
 ASSI !   85!
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 89   and name HD2#)
      5.200     3.400     0.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.33656E-03 ppm1      8.751 ppm2      0.220 CV     1
 ASSI !   87!
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 37   and name HB  ))
      4.200     2.200     1.800 peak    87 spectrum    1 weight  0.10000E+01 volume  0.51857E-03 ppm1      7.346 ppm2      4.507 CV     1
 ASSI !   88!
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 37   and name HG2#)
      4.700     2.800     1.300 peak    88 spectrum    1 weight  0.10000E+01 volume  0.56737E-03 ppm1      7.344 ppm2      1.153 CV     1
 ASSI !   90!
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      3.700     1.700     1.700 peak    90 spectrum    1 weight  0.10000E+01 volume  0.88060E-03 ppm1      7.341 ppm2      3.765 CV     1
 ASSI !   91!
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.600     0.800     0.800 peak    91 spectrum    1 weight  0.10000E+01 volume  0.26664E-02 ppm1      7.342 ppm2      8.757 CV     1
 ASSI !   92!
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      2.800     1.000     1.000 peak    92 spectrum    1 weight  0.10000E+01 volume  0.22439E-02 ppm1      7.341 ppm2      4.241 CV     1
 ASSI !   93!
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40  and name HB2 ) or ( segid "    " and resid 40  and name HB1 ))
      2.400     0.700     0.700 peak    93 spectrum    1 weight  0.10000E+01 volume  0.50399E-02 ppm1      7.342 ppm2      1.829 CV     1
 ASSI !   94!
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40  and name HD2 ) or ( segid "    " and resid 40  and name HD1 ))
      4.100     2.100     1.900 peak    94 spectrum    1 weight  0.10000E+01 volume  0.85032E-03 ppm1      7.342 ppm2      1.711 CV     1
 ASSI !   95!
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40  and name HE1 ) or ( segid "    " and resid 40  and name HE2 ))
      5.600     3.900     0.400 peak    95 spectrum    1 weight  0.10000E+01 volume  0.20807E-03 ppm1      7.339 ppm2      2.975 CV     1
 ASSI !   96!
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG1 ))
      3.200     1.300     1.300 peak    96 spectrum    1 weight  0.10000E+01 volume  0.19494E-02 ppm1      7.343 ppm2      1.546 CV     1
 ASSI !   97!
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HG2 ))
      2.700     0.900     0.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.20926E-02 ppm1      7.342 ppm2      1.442 CV     1
 ASSI !   99!
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      5.200     3.400     0.800 peak    99 spectrum    1 weight  0.10000E+01 volume  0.35338E-03 ppm1      7.343 ppm2      4.062 CV     1
 ASSI !  100!
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      2.400     0.700     0.700 peak   100 spectrum    1 weight  0.10000E+01 volume  0.36861E-02 ppm1      7.343 ppm2      8.035 CV     1
 ASSI !  101!
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      3.800     1.800     1.800 peak   101 spectrum    1 weight  0.10000E+01 volume  0.67070E-03 ppm1      7.345 ppm2      9.030 CV     1
 ASSI !  102!
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 80   and name HD1#)
      4.800     2.900     1.200 peak   102 spectrum    1 weight  0.10000E+01 volume  0.54361E-03 ppm1      7.341 ppm2      0.710 CV     1
 ASSI !  103!
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      5.100     3.300     0.900 peak   103 spectrum    1 weight  0.10000E+01 volume  0.37989E-03 ppm1      7.340 ppm2      3.554 CV     1
 ASSI !  104!
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.200     3.200     2.800 peak   104 spectrum    1 weight  0.10000E+01 volume  0.37531E-03 ppm1      8.038 ppm2      2.226 CV     1
! Distance HN Leu41 - HG2# Thr36 not realistic, spin diffusion over Pro35 
! ASSI !  105!
!   (( segid "    " and resid 41   and name HN  ))
!   (  segid "    " and resid 36   and name HG2#)
!      4.600     2.600     1.400 peak   105 spectrum    1 weight  0.10000E+01 volume  0.43824E-03 ppm1      8.037 ppm2      1.196 CV     1
 ASSI !  106!
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.600     1.600     1.600 peak   106 spectrum    1 weight  0.10000E+01 volume  0.79284E-03 ppm1      8.038 ppm2      3.832 CV     1
 ASSI !  110!
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40  and name HB2 ) or ( segid "    " and resid 40  and name HB1 ))
      2.700     0.900     0.900 peak   110 spectrum    1 weight  0.10000E+01 volume  0.25107E-02 ppm1      8.035 ppm2      1.819 CV     1
 ASSI !  111!
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HG1 ))
      4.500     2.600     1.500 peak   111 spectrum    1 weight  0.10000E+01 volume  0.54091E-03 ppm1      8.033 ppm2      1.540 CV     1
 ASSI !  115!
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.600     0.800     0.800 peak   115 spectrum    1 weight  0.10000E+01 volume  0.25802E-02 ppm1      8.037 ppm2      1.431 CV     1
 ASSI !  116!
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HD1#)
      4.600     2.600     1.400 peak   116 spectrum    1 weight  0.10000E+01 volume  0.95261E-03 ppm1      8.032 ppm2      0.818 CV     1
 ASSI !  117!
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 41   and name HD2#)
      4.300     2.300     1.700 peak   117 spectrum    1 weight  0.10000E+01 volume  0.10378E-02 ppm1      8.034 ppm2      0.920 CV     1
 ASSI !  118!
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 41   and name HG  ))
      4.500     2.500     1.500 peak   118 spectrum    1 weight  0.10000E+01 volume  0.76705E-03 ppm1      8.034 ppm2      1.626 CV     1
 ASSI !  120!
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      5.000     3.100     1.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.33715E-03 ppm1      8.039 ppm2      2.713 CV     1
 ASSI !  121!
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      5.500     3.700     0.500 peak   121 spectrum    1 weight  0.10000E+01 volume  0.29252E-03 ppm1      8.032 ppm2      2.456 CV     1
 ASSI !  122!
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      2.600     0.800     0.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.31437E-02 ppm1      8.037 ppm2      9.024 CV     1
 ASSI !  123!
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      3.900     1.900     1.900 peak   123 spectrum    1 weight  0.10000E+01 volume  0.54120E-03 ppm1      8.041 ppm2      7.265 CV     1
 ASSI !  124!
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 89   and name HD1#)
      4.200     2.200     1.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.59120E-03 ppm1      8.038 ppm2      0.642 CV     1
 ASSI !  125!
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.200     1.300     1.300 peak   125 spectrum    1 weight  0.10000E+01 volume  0.10079E-02 ppm1      9.022 ppm2      3.830 CV     1
 ASSI !  126!
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      3.700     1.700     1.700 peak   126 spectrum    1 weight  0.10000E+01 volume  0.69125E-03 ppm1      9.021 ppm2      2.159 CV     1
 ASSI !  127!
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 38   and name HD2#)
      3.700     1.700     1.700 peak   127 spectrum    1 weight  0.10000E+01 volume  0.10603E-02 ppm1      9.019 ppm2      0.489 CV     1
 ASSI !  128!
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HA1 ))
      4.100     2.100     1.900 peak   128 spectrum    1 weight  0.10000E+01 volume  0.65487E-03 ppm1      9.022 ppm2      3.962 CV     1
 ASSI !  129!
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      3.600     1.600     1.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.67556E-03 ppm1      9.022 ppm2      3.770 CV     1
 ASSI !  130!
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      4.000     2.000     2.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.47134E-03 ppm1      9.023 ppm2      8.746 CV     1
 ASSI !  131!
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      4.200     2.300     1.800 peak   131 spectrum    1 weight  0.10000E+01 volume  0.36441E-03 ppm1      9.020 ppm2      4.235 CV     1
 ASSI !  132!
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 40  and name HB2 ) or ( segid "    " and resid 40  and name HB1 ))
      3.400     1.400     1.400 peak   132 spectrum    1 weight  0.10000E+01 volume  0.10709E-02 ppm1      9.021 ppm2      1.818 CV     1
 ASSI !  134!
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      2.800     1.000     1.000 peak   134 spectrum    1 weight  0.10000E+01 volume  0.33899E-02 ppm1      9.023 ppm2      4.051 CV     1
 ASSI !  136!
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.800     1.800     1.800 peak   136 spectrum    1 weight  0.10000E+01 volume  0.16983E-02 ppm1      9.024 ppm2      1.429 CV     1
 ASSI !  137!
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HD1#)
      4.600     2.700     1.400 peak   137 spectrum    1 weight  0.10000E+01 volume  0.89023E-03 ppm1      9.021 ppm2      0.824 CV     1
 ASSI !  138!
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 41   and name HD2#)
      3.100     1.200     1.200 peak   138 spectrum    1 weight  0.10000E+01 volume  0.15877E-02 ppm1      9.022 ppm2      0.922 CV     1
 ASSI !  139!
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HG  ))
      3.900     1.900     1.900 peak   139 spectrum    1 weight  0.10000E+01 volume  0.95062E-03 ppm1      9.023 ppm2      1.624 CV     1
 ASSI !  141!
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      2.400     0.700     0.700 peak   141 spectrum    1 weight  0.10000E+01 volume  0.47251E-02 ppm1      9.021 ppm2      2.707 CV     1
 ASSI !  142!
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.600     0.900     0.900 peak   142 spectrum    1 weight  0.10000E+01 volume  0.46669E-02 ppm1      9.021 ppm2      2.458 CV     1
 ASSI !  144!
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.500     0.800     0.800 peak   144 spectrum    1 weight  0.10000E+01 volume  0.35703E-02 ppm1      9.021 ppm2      7.253 CV     1
 ASSI !  145!
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 62   and name HE# )
      4.600     2.600     1.400 peak   145 spectrum    1 weight  0.10000E+01 volume  0.62688E-03 ppm1      9.023 ppm2      1.997 CV     1
 ASSI !  146!
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 80   and name HD1#)
      3.700     1.700     1.700 peak   146 spectrum    1 weight  0.10000E+01 volume  0.14921E-02 ppm1      9.020 ppm2      0.710 CV     1
 ASSI !  147!
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 89   and name HD1#)
      3.000     3.000     3.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.57202E-03 ppm1      9.023 ppm2      0.639 CV     1
 ASSI !  148!
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ) or ( segid "    " and resid 43   and name HG2 ))
      2.300     0.700     0.700 peak   148 spectrum    1 weight  0.10000E+01 volume  0.82220E-02 ppm1      7.258 ppm2      2.168 CV     1

 ASSI !  151!
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 38   and name HD2#)
      5.200     3.400     0.800 peak   151 spectrum    1 weight  0.10000E+01 volume  0.27254E-03 ppm1      7.259 ppm2      0.490 CV     1
 ASSI !  152!
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      3.700     1.700     1.700 peak   152 spectrum    1 weight  0.10000E+01 volume  0.41006E-03 ppm1      7.260 ppm2      3.768 CV     1
 ASSI !  154!
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      3.400     1.400     1.400 peak   154 spectrum    1 weight  0.10000E+01 volume  0.12024E-02 ppm1      7.262 ppm2      7.337 CV     1
 ASSI !  155!
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.400     1.500     1.500 peak   155 spectrum    1 weight  0.10000E+01 volume  0.11440E-02 ppm1      7.259 ppm2      4.048 CV     1
 ASSI !  156!
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      4.400     2.500     1.600 peak   156 spectrum    1 weight  0.10000E+01 volume  0.46624E-03 ppm1      7.261 ppm2      1.752 CV     1
 ASSI !  157!
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      3.300     3.300     2.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.33395E-03 ppm1      7.260 ppm2      1.421 CV     1
 ASSI !  158!
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HG  ))
      4.700     2.700     1.300 peak   158 spectrum    1 weight  0.10000E+01 volume  0.37213E-03 ppm1      7.258 ppm2      1.640 CV     1
 ASSI !  161!
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      2.700     0.900     0.900 peak   161 spectrum    1 weight  0.10000E+01 volume  0.25276E-02 ppm1      7.263 ppm2      2.711 CV     1
 ASSI !  162!
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.900     1.900     1.900 peak   162 spectrum    1 weight  0.10000E+01 volume  0.16003E-02 ppm1      7.262 ppm2      2.459 CV     1
 ASSI !  164!
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.700     0.900     0.900 peak   164 spectrum    1 weight  0.10000E+01 volume  0.34438E-02 ppm1      7.260 ppm2      3.865 CV     1
 ASSI !  168!
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      4.100     2.200     1.900 peak   168 spectrum    1 weight  0.10000E+01 volume  0.53721E-03 ppm1      7.262 ppm2      8.735 CV     1
 ASSI !  169!
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.800     3.800     2.200 peak   169 spectrum    1 weight  0.10000E+01 volume  0.12243E-02 ppm1      7.261 ppm2      7.436 CV     1
 ASSI !  170!
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 80   and name HD1#)
      4.100     2.100     1.900 peak   170 spectrum    1 weight  0.10000E+01 volume  0.59772E-03 ppm1      7.259 ppm2      0.710 CV     1
 ASSI !  171!
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 80   and name HD2#)
      4.000     2.000     2.000 peak   171 spectrum    1 weight  0.10000E+01 volume  0.55084E-03 ppm1      7.257 ppm2      0.922 CV     1
 ASSI !  172!
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      4.400     2.500     1.600 peak   172 spectrum    1 weight  0.10000E+01 volume  0.37730E-03 ppm1      7.239 ppm2      4.242 CV     1
 ASSI !  173!
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 41   and name HA  ))
      3.300     1.300     1.300 peak   173 spectrum    1 weight  0.10000E+01 volume  0.10102E-02 ppm1      7.234 ppm2      4.066 CV     1
 ASSI !  174!
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.500     1.500     1.500 peak   174 spectrum    1 weight  0.10000E+01 volume  0.98588E-03 ppm1      7.234 ppm2      4.049 CV     1
 ASSI !  175!
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      4.200     2.200     1.800 peak   175 spectrum    1 weight  0.10000E+01 volume  0.40795E-03 ppm1      7.231 ppm2      9.022 CV     1
 ASSI !  176!
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      3.400     1.400     1.400 peak   176 spectrum    1 weight  0.10000E+01 volume  0.12065E-02 ppm1      7.233 ppm2      3.867 CV     1
 ASSI !  177!
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.600     0.800     0.800 peak   177 spectrum    1 weight  0.10000E+01 volume  0.29510E-02 ppm1      7.232 ppm2      2.167 CV     1
 ASSI !  178!
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.600     1.600     1.600 peak   178 spectrum    1 weight  0.10000E+01 volume  0.25555E-02 ppm1      7.234 ppm2      2.090 CV     1
 ASSI !  179!
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HG1 ))
      4.800     2.900     1.200 peak   179 spectrum    1 weight  0.10000E+01 volume  0.49473E-03 ppm1      7.232 ppm2      2.391 CV     1
 ASSI !  180!
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      2.800     1.000     1.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.25508E-02 ppm1      7.232 ppm2      3.913 CV     1
 ASSI !  181!
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
      2.700     0.900     0.900 peak   181 spectrum    1 weight  0.10000E+01 volume  0.38867E-02 ppm1      7.234 ppm2      1.862 CV     1
 ASSI !  182!
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      2.500     0.800     0.800 peak   182 spectrum    1 weight  0.10000E+01 volume  0.31636E-02 ppm1      7.234 ppm2      1.629 CV     1
 ASSI !  185!
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HE  ))
      4.300     2.300     1.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.75143E-03 ppm1      7.235 ppm2      7.529 CV     1
 ASSI !  187!
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 44   and name HG2 ))
      4.300     2.300     1.700 peak   187 spectrum    1 weight  0.10000E+01 volume  0.91573E-03 ppm1      7.231 ppm2      1.217 CV     1
 ASSI !  189!
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      4.800     2.900     1.200 peak   189 spectrum    1 weight  0.10000E+01 volume  0.39566E-03 ppm1      7.234 ppm2      1.439 CV     1
 ASSI !  190!
   (( segid "    " and resid 44   and name HN  ))
   ((  segid "    " and resid 45   and name HD2#) or (  segid "    " and resid 45   and   name HD1#))
      4.500     2.500     1.500 peak   190 spectrum    1 weight  0.10000E+01 volume  0.85418E-03 ppm1      7.235 ppm2      0.922 CV     1
  
 ASSI !  191!
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HN  ))
      2.400     0.700     0.700 peak   191 spectrum    1 weight  0.10000E+01 volume  0.36766E-02 ppm1      7.235 ppm2      8.735 CV     1
 ASSI !  192!
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      4.300     2.300     1.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.39340E-03 ppm1      7.232 ppm2      8.275 CV     1
 ASSI !  193!
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 47   and name HD21))
      4.000     2.000     2.000 peak   193 spectrum    1 weight  0.10000E+01 volume  0.56064E-03 ppm1      7.234 ppm2      7.454 CV     1
 ASSI !  194!
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ) or ( segid "    " and resid 43   and name HG2 ))
      3.700     1.700     1.700 peak   194 spectrum    1 weight  0.10000E+01 volume  0.48953E-03 ppm1      8.732 ppm2      2.163 CV     1

 ASSI !  195!
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 41   and name HD1#)
      5.100     3.200     0.900 peak   195 spectrum    1 weight  0.10000E+01 volume  0.55009E-03 ppm1      8.732 ppm2      0.820 CV     1
 ASSI !  196!
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.300     1.300 peak   196 spectrum    1 weight  0.10000E+01 volume  0.13525E-02 ppm1      8.732 ppm2      4.041 CV     1
 ASSI !  197!
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HN  ))
      4.400     2.500     1.600 peak   197 spectrum    1 weight  0.10000E+01 volume  0.36713E-03 ppm1      8.733 ppm2      9.020 CV     1
 ASSI !  198!
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      3.000     3.000     3.000 peak   198 spectrum    1 weight  0.10000E+01 volume  0.52064E-03 ppm1      8.734 ppm2      2.070 CV     1
 ASSI !  199!
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.500     1.500     1.500 peak   199 spectrum    1 weight  0.10000E+01 volume  0.87350E-03 ppm1      8.734 ppm2      3.910 CV     1
 ASSI !  200!
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB1 ))
      2.400     0.700     0.700 peak   200 spectrum    1 weight  0.10000E+01 volume  0.32082E-02 ppm1      8.732 ppm2      1.853 CV     1
 ASSI !  201!
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HB2 ))
      3.200     1.300     1.300 peak   201 spectrum    1 weight  0.10000E+01 volume  0.27049E-02 ppm1      8.732 ppm2      1.624 CV     1
 ASSI !  202!
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HG1 ))
      4.500     2.500     1.500 peak   202 spectrum    1 weight  0.10000E+01 volume  0.58892E-03 ppm1      8.731 ppm2      1.345 CV     1
 ASSI !  206!
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      3.200     1.300     1.300 peak   206 spectrum    1 weight  0.10000E+01 volume  0.30998E-02 ppm1      8.732 ppm2      1.909 CV     1
 ASSI !  208!
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD1#)
      3.600     1.600     1.600 peak   208 spectrum    1 weight  0.10000E+01 volume  0.33313E-02 ppm1      8.731 ppm2      0.933 CV     1
 ASSI !  210!
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HG  ))
      2.100     0.600     0.600 peak   210 spectrum    1 weight  0.10000E+01 volume  0.49348E-02 ppm1      8.732 ppm2      1.801 CV     1
 ASSI !  212!
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.600     0.800     0.800 peak   212 spectrum    1 weight  0.10000E+01 volume  0.23547E-02 ppm1      8.734 ppm2      8.273 CV     1
 ASSI !  213!
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.800     1.800     1.800 peak   213 spectrum    1 weight  0.10000E+01 volume  0.59777E-03 ppm1      8.733 ppm2      7.423 CV     1
 ASSI !  214!
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      3.700     1.700     1.700 peak   214 spectrum    1 weight  0.10000E+01 volume  0.80592E-03 ppm1      8.736 ppm2      8.931 CV     1
 ASSI !  216!
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 64   and name HD1#)
      5.900     4.400     0.100 peak   216 spectrum    1 weight  0.10000E+01 volume  0.26735E-03 ppm1      8.734 ppm2      0.631 CV     1
 ASSI !  217!
   (( segid "    " and resid 46   and name HE  ))
   (( segid "    " and resid 46   and name HB1 ))
      4.200     2.200     1.800 peak   217 spectrum    1 weight  0.10000E+01 volume  0.85273E-03 ppm1      9.531 ppm2      1.939 CV     1
 ASSI !  218!
   (( segid "    " and resid 46   and name HE  ))
   (( segid "    " and resid 46   and name HB2 ))
      4.300     2.300     1.700 peak   218 spectrum    1 weight  0.10000E+01 volume  0.52982E-03 ppm1      9.530 ppm2      1.737 CV     1
 ASSI !  222!
   (( segid "    " and resid 46   and name HE  ))
   (( segid "    " and resid 46  and name HG1 ) or ( segid "    " and resid 46  and name HG2 ))
      3.400     1.400     1.400 peak   222 spectrum    1 weight  0.10000E+01 volume  0.65367E-03 ppm1      9.529 ppm2      1.411 CV     1
 ASSI !  223!
   (( segid "    " and resid 46   and name HE  ))
   (( segid "    " and resid 46  and name HH12) or ( segid "    " and resid 46  and name HH11))
      4.500     2.500     1.500 peak   223 spectrum    1 weight  0.10000E+01 volume  0.36743E-03 ppm1      9.531 ppm2      6.592 CV     1
 ASSI !  224!
   (( segid "    " and resid 46   and name HE  ))
   (( segid "    " and resid 46  and name HH21) or ( segid "    " and resid 46  and name HH22))
      2.800     1.000     1.000 peak   224 spectrum    1 weight  0.10000E+01 volume  0.17631E-02 ppm1      9.531 ppm2      6.217 CV     1
 ASSI !  228!
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      5.900     4.300     0.100 peak   228 spectrum    1 weight  0.10000E+01 volume  0.35050E-03 ppm1      8.279 ppm2      2.962 CV     1
 ASSI !  229!
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HB1 ) or ( segid "    " and resid 43   and name HG2 ))
      4.200     2.300     1.800 peak   229 spectrum    1 weight  0.10000E+01 volume  0.31833E-03 ppm1      8.282 ppm2      2.171 CV     1

 ASSI !  231!
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      4.000     2.000     2.000 peak   231 spectrum    1 weight  0.10000E+01 volume  0.47031E-03 ppm1      8.278 ppm2      7.259 CV     1
 ASSI !  233!
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HD2#) or (  segid "    " and resid 45   and name HD1#))
      4.400     2.400     1.600 peak   233 spectrum    1 weight  0.10000E+01 volume  0.10201E-02 ppm1      8.280 ppm2      0.923 CV     1

 ASSI !  236!
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      3.200     1.300     1.300 peak   236 spectrum    1 weight  0.10000E+01 volume  0.31651E-02 ppm1      8.279 ppm2      1.931 CV     1
 ASSI !  237!
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.600     0.800     0.800 peak   237 spectrum    1 weight  0.10000E+01 volume  0.22837E-02 ppm1      8.277 ppm2      1.735 CV     1
 ASSI !  238!
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HD1 ))
      5.300     3.600     0.700 peak   238 spectrum    1 weight  0.10000E+01 volume  0.40358E-03 ppm1      8.279 ppm2      3.283 CV     1
 ASSI !  239!
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HD2 ))
      4.400     2.400     1.600 peak   239 spectrum    1 weight  0.10000E+01 volume  0.59760E-03 ppm1      8.279 ppm2      2.853 CV     1
 ASSI !  240!
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HE  ))
      4.800     2.900     1.200 peak   240 spectrum    1 weight  0.10000E+01 volume  0.36201E-03 ppm1      8.284 ppm2      9.537 CV     1
 ASSI !  241!
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46  and name HG1 ) or ( segid "    " and resid 46  and name HG2 ))
      3.100     1.200     1.200 peak   241 spectrum    1 weight  0.10000E+01 volume  0.15142E-02 ppm1      8.277 ppm2      1.422 CV     1
 ASSI !  243!
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.500     0.800     0.800 peak   243 spectrum    1 weight  0.10000E+01 volume  0.34995E-02 ppm1      8.276 ppm2      7.434 CV     1
 ASSI !  244!
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      4.200     2.200     1.800 peak   244 spectrum    1 weight  0.10000E+01 volume  0.43642E-03 ppm1      8.274 ppm2      8.944 CV     1
 ASSI !  246!
   (( segid "    " and resid 47   and name HD21))
   (( segid "    " and resid 43   and name HG2 ))
      4.000     2.000     2.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.52019E-03 ppm1      7.474 ppm2      2.168 CV     1
 ASSI !  247!
   (( segid "    " and resid 47   and name HD21))
   (( segid "    " and resid 44   and name HA  ))
      3.700     1.700     1.700 peak   247 spectrum    1 weight  0.10000E+01 volume  0.53875E-03 ppm1      7.469 ppm2      3.922 CV     1
 ASSI !  248!
   (( segid "    " and resid 47   and name HD21))
   (( segid "    " and resid 45   and name HN  ))
      4.400     2.400     1.600 peak   248 spectrum    1 weight  0.10000E+01 volume  0.24512E-03 ppm1      7.465 ppm2      8.733 CV     1
 ASSI !  249!
   (( segid "    " and resid 47   and name HD21))
   (( segid "    " and resid 47   and name HA  ))
      3.900     1.900     1.900 peak   249 spectrum    1 weight  0.10000E+01 volume  0.44256E-03 ppm1      7.470 ppm2      4.457 CV     1
 ASSI !  250!
   (( segid "    " and resid 47   and name HD21))
   (( segid "    " and resid 47   and name HB1 ))
      3.400     1.500     1.500 peak   250 spectrum    1 weight  0.10000E+01 volume  0.13963E-02 ppm1      7.469 ppm2      2.966 CV     1
 ASSI !  251!
   (( segid "    " and resid 47   and name HD21))
   (( segid "    " and resid 47   and name HB2 ))
      3.200     1.300     1.300 peak   251 spectrum    1 weight  0.10000E+01 volume  0.70841E-03 ppm1      7.469 ppm2      2.855 CV     1
 ASSI !  253!
   (( segid "    " and resid 47   and name HD22))
   (( segid "    " and resid 43   and name HG2 ))
      3.700     1.700     1.700 peak   253 spectrum    1 weight  0.10000E+01 volume  0.52376E-03 ppm1      7.058 ppm2      2.171 CV     1
 ASSI !  254!
   (( segid "    " and resid 47   and name HD22))
   (( segid "    " and resid 44   and name HA  ))
      3.400     3.400     2.600 peak   254 spectrum    1 weight  0.10000E+01 volume  0.24987E-03 ppm1      7.062 ppm2      3.907 CV     1
 ASSI !  255!
   (( segid "    " and resid 47   and name HD22))
   (( segid "    " and resid 47   and name HA  ))
      4.800     2.800     1.200 peak   255 spectrum    1 weight  0.10000E+01 volume  0.32958E-03 ppm1      7.056 ppm2      4.451 CV     1
 ASSI !  256!
   (( segid "    " and resid 47   and name HD22))
   (( segid "    " and resid 47   and name HB1 ))
      4.400     2.400     1.600 peak   256 spectrum    1 weight  0.10000E+01 volume  0.82441E-03 ppm1      7.056 ppm2      2.968 CV     1
 ASSI !  257!
   (( segid "    " and resid 47   and name HD22))
   (( segid "    " and resid 47   and name HB2 ))
      4.400     2.400     1.600 peak   257 spectrum    1 weight  0.10000E+01 volume  0.67327E-03 ppm1      7.057 ppm2      2.856 CV     1
 ASSI !  258!
   (( segid "    " and resid 47   and name HD22))
   (( segid "    " and resid 47   and name HD21))
      1.700     0.300     0.500 peak   258 spectrum    1 weight  0.10000E+01 volume  0.21520E-01 ppm1      7.058 ppm2      7.467 CV     1
 ASSI !  261!
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      3.800     1.800     1.800 peak   261 spectrum    1 weight  0.10000E+01 volume  0.58448E-03 ppm1      7.429 ppm2      7.241 CV     1
 ASSI !  263!
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.300     1.300     1.300 peak   263 spectrum    1 weight  0.10000E+01 volume  0.13166E-02 ppm1      7.430 ppm2      3.853 CV     1
 ASSI !  264!
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      3.700     1.700     1.700 peak   264 spectrum    1 weight  0.10000E+01 volume  0.72568E-03 ppm1      7.429 ppm2      1.925 CV     1
 ASSI !  265!
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      3.000     1.100     1.100 peak   265 spectrum    1 weight  0.10000E+01 volume  0.14257E-02 ppm1      7.429 ppm2      1.731 CV     1
 ASSI !  266!
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HD1 ))
      5.000     3.100     1.000 peak   266 spectrum    1 weight  0.10000E+01 volume  0.36167E-03 ppm1      7.428 ppm2      3.281 CV     1
 ASSI !  267!
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46  and name HG1 ) or ( segid "    " and resid 46  and name HG2 ))
      4.600     2.600     1.400 peak   267 spectrum    1 weight  0.10000E+01 volume  0.41408E-03 ppm1      7.430 ppm2      1.417 CV     1
 ASSI !  272!
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HD22))
      5.200     3.400     0.800 peak   272 spectrum    1 weight  0.10000E+01 volume  0.31796E-03 ppm1      7.433 ppm2      7.064 CV     1
 ASSI !  277!
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.700     1.700     1.700 peak   277 spectrum    1 weight  0.10000E+01 volume  0.72124E-03 ppm1      8.946 ppm2      3.913 CV     1
 ASSI !  278!
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
      3.200     1.200     1.200 peak   278 spectrum    1 weight  0.10000E+01 volume  0.14976E-02 ppm1      8.947 ppm2      3.816 CV     1
 ASSI !  279!
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      4.600     2.700     1.400 peak   279 spectrum    1 weight  0.10000E+01 volume  0.41860E-03 ppm1      8.949 ppm2      1.906 CV     1
 ASSI !  280!
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      4.700     2.800     1.300 peak   280 spectrum    1 weight  0.10000E+01 volume  0.31643E-03 ppm1      8.953 ppm2      1.457 CV     1
 ASSI !  281!
   (( segid "    " and resid 48   and name HN  ))
   ((  segid "    " and resid 45   and name HD2#) or (  segid "    " and resid 45   and name HD1#))
      4.400     2.400     1.600 peak   281 spectrum    1 weight  0.10000E+01 volume  0.77619E-03 ppm1      8.943 ppm2      0.916 CV     1

 ASSI !  283!
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.200     1.300     1.300 peak   283 spectrum    1 weight  0.10000E+01 volume  0.16731E-02 ppm1      8.945 ppm2      4.463 CV     1
 ASSI !  284!
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      3.200     1.300     1.300 peak   284 spectrum    1 weight  0.10000E+01 volume  0.25635E-02 ppm1      8.946 ppm2      2.972 CV     1
 ASSI !  285!
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.700     0.900     0.900 peak   285 spectrum    1 weight  0.10000E+01 volume  0.29539E-02 ppm1      8.945 ppm2      2.870 CV     1
 ASSI !  286!
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.300     0.600     0.600 peak   286 spectrum    1 weight  0.10000E+01 volume  0.60150E-02 ppm1      8.945 ppm2      7.434 CV     1
 ASSI !  287!
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.900     1.000     1.000 peak   287 spectrum    1 weight  0.10000E+01 volume  0.24823E-02 ppm1      8.944 ppm2      4.184 CV     1
 ASSI !  288!
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.000     1.100     1.100 peak   288 spectrum    1 weight  0.10000E+01 volume  0.27869E-02 ppm1      8.945 ppm2      3.410 CV     1
 ASSI !  289!
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      2.500     0.800     0.800 peak   289 spectrum    1 weight  0.10000E+01 volume  0.21808E-02 ppm1      8.945 ppm2      3.292 CV     1
 ASSI !  290!
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HD# )
      4.100     2.100     1.900 peak   290 spectrum    1 weight  0.10000E+01 volume  0.14710E-02 ppm1      8.946 ppm2      7.012 CV     1
 ASSI !  292!
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.400     0.700     0.700 peak   292 spectrum    1 weight  0.10000E+01 volume  0.41366E-02 ppm1      8.945 ppm2      8.294 CV     1
 ASSI !  293!
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.900     1.900     1.900 peak   293 spectrum    1 weight  0.10000E+01 volume  0.58053E-03 ppm1      8.949 ppm2      7.325 CV     1
 ASSI !  294!
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 110  and name HD1#)
      4.500     2.500     1.500 peak   294 spectrum    1 weight  0.10000E+01 volume  0.85211E-03 ppm1      8.944 ppm2      1.032 CV     1
 ASSI !  295!
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 110  and name HG2#)
      5.300     3.500     0.700 peak   295 spectrum    1 weight  0.10000E+01 volume  0.35330E-03 ppm1      8.952 ppm2      0.816 CV     1
 ASSI !  296!
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.300     1.300     1.300 peak   296 spectrum    1 weight  0.10000E+01 volume  0.11619E-02 ppm1      8.298 ppm2      3.867 CV     1
 ASSI !  298!
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      4.900     3.000     1.100 peak   298 spectrum    1 weight  0.10000E+01 volume  0.23664E-03 ppm1      8.300 ppm2      2.970 CV     1
 ASSI !  299!
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.300     3.300     2.700 peak   299 spectrum    1 weight  0.10000E+01 volume  0.29581E-03 ppm1      8.302 ppm2      2.865 CV     1
 ASSI !  300!
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      3.400     1.400     1.400 peak   300 spectrum    1 weight  0.10000E+01 volume  0.13875E-02 ppm1      8.298 ppm2      7.433 CV     1
 ASSI !  302!
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HB2 ))
      3.700     1.700     1.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.12222E-02 ppm1      8.299 ppm2      3.299 CV     1
 ASSI !  303!
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 48   and name HD# )
      4.900     3.000     1.100 peak   303 spectrum    1 weight  0.10000E+01 volume  0.25275E-03 ppm1      8.304 ppm2      7.013 CV     1
 ASSI !  305!
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.800     0.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.31960E-02 ppm1      8.298 ppm2      3.405 CV     1
 ASSI !  306!
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB1 ))
      3.300     1.300     1.300 peak   306 spectrum    1 weight  0.10000E+01 volume  0.33774E-02 ppm1      8.300 ppm2      1.611 CV     1
 ASSI !  307!
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HB2 ))
      2.300     0.700     0.700 peak   307 spectrum    1 weight  0.10000E+01 volume  0.40479E-02 ppm1      8.299 ppm2      1.048 CV     1
 ASSI !  308!
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 49   and name HD1#)
      4.000     2.000     2.000 peak   308 spectrum    1 weight  0.10000E+01 volume  0.13843E-02 ppm1      8.301 ppm2      0.601 CV     1
 ASSI !  310!
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HG  ))
      3.000     1.100     1.100 peak   310 spectrum    1 weight  0.10000E+01 volume  0.89439E-03 ppm1      8.297 ppm2      0.804 CV     1
 ASSI !  312!
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      4.600     2.700     1.400 peak   312 spectrum    1 weight  0.10000E+01 volume  0.44173E-03 ppm1      8.297 ppm2      1.905 CV     1
 ASSI !  313!
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.500     0.800     0.800 peak   313 spectrum    1 weight  0.10000E+01 volume  0.37124E-02 ppm1      8.299 ppm2      7.324 CV     1
 ASSI !  314!
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 76  and name HD2#) or ( segid "    " and resid 76  and name HD1#))
      4.600     2.600     1.400 peak   314 spectrum    1 weight  0.10000E+01 volume  0.74417E-03 ppm1      8.297 ppm2      0.920 CV     1
 ASSI !  315!
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.400     1.400     1.400 peak   315 spectrum    1 weight  0.10000E+01 volume  0.10413E-02 ppm1      7.319 ppm2      4.454 CV     1
 ASSI !  316!
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      4.200     2.200     1.800 peak   316 spectrum    1 weight  0.10000E+01 volume  0.30915E-03 ppm1      7.320 ppm2      4.198 CV     1
 ASSI !  318!
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.600     1.600     1.600 peak   318 spectrum    1 weight  0.10000E+01 volume  0.68316E-03 ppm1      7.325 ppm2      3.402 CV     1
 ASSI !  321!
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HD1#)
      5.000     3.200     1.000 peak   321 spectrum    1 weight  0.10000E+01 volume  0.43380E-03 ppm1      7.319 ppm2      0.593 CV     1
 ASSI !  322!
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HD2#)
      5.000     3.200     1.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.50627E-03 ppm1      7.318 ppm2     -1.144 CV     1
 ASSI !  325!
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.800     1.000     1.000 peak   325 spectrum    1 weight  0.10000E+01 volume  0.26549E-02 ppm1      7.323 ppm2      3.894 CV     1
 ASSI !  326!
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB1 ))
      3.200     1.300     1.300 peak   326 spectrum    1 weight  0.10000E+01 volume  0.33132E-02 ppm1      7.317 ppm2      1.948 CV     1
 ASSI !  327!
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.500     0.800     0.800 peak   327 spectrum    1 weight  0.10000E+01 volume  0.40376E-02 ppm1      7.317 ppm2      1.903 CV     1
 ASSI !  328!
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50  and name HD2 ) or ( segid "    " and resid 50  and name HD1 ))
      4.100     2.100     1.900 peak   328 spectrum    1 weight  0.10000E+01 volume  0.99705E-03 ppm1      7.318 ppm2      1.684 CV     1
 ASSI !  329!
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50  and name HE1 ) or ( segid "    " and resid 50  and name HE2 ))
      5.000     3.200     1.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.36107E-03 ppm1      7.320 ppm2      2.975 CV     1
 ASSI !  333!
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51  and name HB1 ) or ( segid "    " and resid 51  and name HB2 ))
      5.000     3.100     1.000 peak   333 spectrum    1 weight  0.10000E+01 volume  0.42786E-03 ppm1      7.314 ppm2      1.297 CV     1
 ASSI !  334!
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51  and name HG1 ) or ( segid "    " and resid 51  and name HG2 ))
      4.800     2.800     1.200 peak   334 spectrum    1 weight  0.10000E+01 volume  0.35133E-03 ppm1      7.319 ppm2      1.169 CV     1
 ASSI !  335!
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      2.400     0.700     0.700 peak   335 spectrum    1 weight  0.10000E+01 volume  0.48351E-02 ppm1      7.321 ppm2      7.436 CV     1
 ASSI !  336!
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.800     2.900     1.200 peak   336 spectrum    1 weight  0.10000E+01 volume  0.26418E-03 ppm1      7.320 ppm2      3.625 CV     1
 ASSI !  337!
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      4.500     2.600     1.500 peak   337 spectrum    1 weight  0.10000E+01 volume  0.33361E-03 ppm1      7.314 ppm2      7.136 CV     1
 ASSI !  338!
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      4.700     2.800     1.300 peak   338 spectrum    1 weight  0.10000E+01 volume  0.32889E-03 ppm1      7.317 ppm2      3.733 CV     1
 ASSI !  342!
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.200     3.200     2.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.36363E-03 ppm1      7.432 ppm2      4.457 CV     1
 ASSI !  343!
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.200     1.300     1.300 peak   343 spectrum    1 weight  0.10000E+01 volume  0.13042E-02 ppm1      7.435 ppm2      4.178 CV     1
 ASSI !  344!
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 48   and name HN  ))
      3.200     3.200     2.800 peak   344 spectrum    1 weight  0.10000E+01 volume  0.38072E-03 ppm1      7.433 ppm2      8.940 CV     1
 ASSI !  345!
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      4.600     2.600     1.400 peak   345 spectrum    1 weight  0.10000E+01 volume  0.32750E-03 ppm1      7.432 ppm2      3.409 CV     1
 ASSI !  346!
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.400     1.400     1.400 peak   346 spectrum    1 weight  0.10000E+01 volume  0.13027E-02 ppm1      7.436 ppm2      3.891 CV     1
 ASSI !  347!
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB1 ))
      3.500     1.500     1.500 peak   347 spectrum    1 weight  0.10000E+01 volume  0.16748E-02 ppm1      7.435 ppm2      1.947 CV     1
 ASSI !  348!
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HB2 ))
      2.700     0.900     0.900 peak   348 spectrum    1 weight  0.10000E+01 volume  0.16871E-02 ppm1      7.436 ppm2      1.905 CV     1
 ASSI !  349!
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50  and name HD2 ) or ( segid "    " and resid 50  and name HD1 ))
      3.100     3.100     2.900 peak   349 spectrum    1 weight  0.10000E+01 volume  0.42595E-03 ppm1      7.432 ppm2      1.684 CV     1
 ASSI !  350!
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HG1 ))
      4.400     2.400     1.600 peak   350 spectrum    1 weight  0.10000E+01 volume  0.47325E-03 ppm1      7.436 ppm2      1.551 CV     1
 ASSI !  351!
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HG2 ))
      4.500     2.500     1.500 peak   351 spectrum    1 weight  0.10000E+01 volume  0.53564E-03 ppm1      7.436 ppm2      1.446 CV     1
 ASSI !  354!
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51  and name HB1 ) or ( segid "    " and resid 51  and name HB2 ))
      2.600     0.800     0.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.58352E-02 ppm1      7.435 ppm2      1.309 CV     1
 ASSI !  355!
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51  and name HE2 ) or ( segid "    " and resid 51  and name HE1 ))
      4.900     3.000     1.100 peak   355 spectrum    1 weight  0.10000E+01 volume  0.40424E-03 ppm1      7.428 ppm2      2.842 CV     1
 ASSI !  359!
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.300     0.600     0.600 peak   359 spectrum    1 weight  0.10000E+01 volume  0.53900E-02 ppm1      7.436 ppm2      8.293 CV     1
 ASSI !  360!
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      4.600     2.600     1.400 peak   360 spectrum    1 weight  0.10000E+01 volume  0.73789E-03 ppm1      7.433 ppm2      7.140 CV     1
 ASSI !  364!
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HB1 ))
      3.100     3.100     2.900 peak   364 spectrum    1 weight  0.10000E+01 volume  0.43218E-03 ppm1      8.305 ppm2      1.962 CV     1
 ASSI !  365!
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      3.800     1.800     1.800 peak   365 spectrum    1 weight  0.10000E+01 volume  0.65678E-03 ppm1      8.291 ppm2      7.326 CV     1
 ASSI !  373!
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.900     3.000     1.100 peak   373 spectrum    1 weight  0.10000E+01 volume  0.43455E-03 ppm1      8.287 ppm2      3.613 CV     1
 ASSI !  374!
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 53   and name HG2#)
      4.800     2.900     1.200 peak   374 spectrum    1 weight  0.10000E+01 volume  0.46520E-03 ppm1      8.289 ppm2      0.245 CV     1
 ASSI !  378!
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      4.200     2.300     1.800 peak   378 spectrum    1 weight  0.10000E+01 volume  0.42857E-03 ppm1      7.139 ppm2      4.082 CV     1
 ASSI !  382!
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   382 spectrum    1 weight  0.10000E+01 volume  0.39706E-02 ppm1      7.146 ppm2      8.288 CV     1
 ASSI !  384!
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB  ))
      3.800     1.800     1.800 peak   384 spectrum    1 weight  0.10000E+01 volume  0.90776E-03 ppm1      7.145 ppm2      4.330 CV     1
 ASSI !  385!
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.400     0.700     0.700 peak   385 spectrum    1 weight  0.10000E+01 volume  0.50278E-02 ppm1      7.149 ppm2      3.622 CV     1
 ASSI !  388!
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      4.300     2.300     1.700 peak   388 spectrum    1 weight  0.10000E+01 volume  0.69458E-03 ppm1      7.143 ppm2      8.412 CV     1
 ASSI !  389!
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      4.300     2.400     1.700 peak   389 spectrum    1 weight  0.10000E+01 volume  0.37900E-03 ppm1      7.146 ppm2      3.792 CV     1
 ASSI !  392!
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.800     2.800     1.200 peak   392 spectrum    1 weight  0.10000E+01 volume  0.41021E-03 ppm1      8.413 ppm2      3.625 CV     1
 ASSI !  393!
   (( segid "    " and resid 54   and name HN  ))
   (  segid "    " and resid 53   and name HG2#)
      4.100     2.100     1.900 peak   393 spectrum    1 weight  0.10000E+01 volume  0.17729E-02 ppm1      8.413 ppm2      0.244 CV     1
 ASSI !  395!
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.500     0.800     0.800 peak   395 spectrum    1 weight  0.10000E+01 volume  0.49165E-02 ppm1      8.411 ppm2      4.343 CV     1
 ASSI !  396!
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      2.900     1.000     1.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.32060E-02 ppm1      8.413 ppm2      1.877 CV     1
 ASSI !  397!
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.600     0.800     0.800 peak   397 spectrum    1 weight  0.10000E+01 volume  0.35028E-02 ppm1      8.414 ppm2      1.840 CV     1
 ASSI !  399!
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HG1 ))
      2.800     1.000     1.000 peak   399 spectrum    1 weight  0.10000E+01 volume  0.21037E-02 ppm1      8.412 ppm2      1.576 CV     1
 ASSI !  400!
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HG2 ))
      2.900     1.100     1.100 peak   400 spectrum    1 weight  0.10000E+01 volume  0.16213E-02 ppm1      8.413 ppm2      1.521 CV     1
 ASSI !  403!
   (( segid "    " and resid 55   and name HD21))
   (( segid "    " and resid 55   and name HA  ))
      5.000     3.100     1.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.30111E-03 ppm1      7.541 ppm2      4.991 CV     1
 ASSI !  406!
   (( segid "    " and resid 55   and name HD21))
   (( segid "    " and resid 55   and name HD22))
      1.400     0.200     0.800 peak   406 spectrum    1 weight  0.10000E+01 volume  0.32753E-01 ppm1      7.534 ppm2      6.834 CV     1
 ASSI !  407!
   (( segid "    " and resid 55   and name HD21))
   (  segid "    " and resid 57   and name HB# )
      5.400     3.600     0.600 peak   407 spectrum    1 weight  0.10000E+01 volume  0.61662E-03 ppm1      7.536 ppm2      1.490 CV     1
 ASSI !  408!
   (( segid "    " and resid 55   and name HD21))
   (( segid "    " and resid 58   and name HB1 ))
      3.200     1.300     1.300 peak   408 spectrum    1 weight  0.10000E+01 volume  0.52492E-03 ppm1      7.539 ppm2      2.092 CV     1
 ASSI !  409!
   (( segid "    " and resid 55   and name HD21))
   (( segid "    " and resid 58   and name HB2 ))
      4.800     2.900     1.200 peak   409 spectrum    1 weight  0.10000E+01 volume  0.63955E-03 ppm1      7.533 ppm2      1.647 CV     1
 ASSI !  410!
   (( segid "    " and resid 55   and name HD21))
   (( segid "    " and resid 58   and name HE21))
      4.000     2.000     2.000 peak   410 spectrum    1 weight  0.10000E+01 volume  0.32058E-03 ppm1      7.529 ppm2      7.148 CV     1
 ASSI !  411!
   (( segid "    " and resid 55   and name HD21))
   (( segid "    " and resid 58   and name HN  ))
      4.200     2.200     1.800 peak   411 spectrum    1 weight  0.10000E+01 volume  0.24277E-03 ppm1      7.529 ppm2      7.108 CV     1
 ASSI !  413!
   (( segid "    " and resid 55   and name HD22))
   (( segid "    " and resid 55   and name HB2 ))
      4.400     2.400     1.600 peak   413 spectrum    1 weight  0.10000E+01 volume  0.10921E-02 ppm1      6.834 ppm2      2.660 CV     1
 ASSI !  416!
   (( segid "    " and resid 55   and name HD22))
   (( segid "    " and resid 57   and name HN  ))
      3.900     1.900     1.900 peak   416 spectrum    1 weight  0.10000E+01 volume  0.29645E-03 ppm1      6.828 ppm2      8.124 CV     1
 ASSI !  417!
   (( segid "    " and resid 55   and name HD22))
   (( segid "    " and resid 58   and name HB1 ))
      3.900     1.900     1.900 peak   417 spectrum    1 weight  0.10000E+01 volume  0.41989E-03 ppm1      6.837 ppm2      2.101 CV     1
 ASSI !  419!
   (( segid "    " and resid 55   and name HD22))
   (( segid "    " and resid 58   and name HE21))
      5.300     3.500     0.700 peak   419 spectrum    1 weight  0.10000E+01 volume  0.29662E-03 ppm1      6.827 ppm2      7.150 CV     1
 ASSI !  422!
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      4.300     2.300     1.700 peak   422 spectrum    1 weight  0.10000E+01 volume  0.13337E-02 ppm1      7.828 ppm2      4.842 CV     1
 ASSI !  423!
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.100     2.100     1.900 peak   423 spectrum    1 weight  0.10000E+01 volume  0.34468E-03 ppm1      7.824 ppm2      3.613 CV     1
 ASSI !  424!
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 53   and name HG2#)
      4.200     2.200     1.800 peak   424 spectrum    1 weight  0.10000E+01 volume  0.14529E-02 ppm1      7.825 ppm2      0.244 CV     1
 ASSI !  425!
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      2.700     0.900     0.900 peak   425 spectrum    1 weight  0.10000E+01 volume  0.52372E-02 ppm1      7.826 ppm2      4.337 CV     1
 ASSI !  426!
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      3.300     1.400     1.400 peak   426 spectrum    1 weight  0.10000E+01 volume  0.25209E-02 ppm1      7.825 ppm2      1.886 CV     1
 ASSI !  427!
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
      2.900     1.000     1.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.26750E-02 ppm1      7.826 ppm2      1.844 CV     1
 ASSI !  428!
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54  and name HD2 ) or ( segid "    " and resid 54  and name HD1 ))
      3.200     3.200     2.800 peak   428 spectrum    1 weight  0.10000E+01 volume  0.39388E-03 ppm1      7.827 ppm2      1.707 CV     1
 ASSI !  429!
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HG1 ))
      3.800     1.800     1.800 peak   429 spectrum    1 weight  0.10000E+01 volume  0.70268E-03 ppm1      7.827 ppm2      1.575 CV     1
 ASSI !  430!
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HG2 ))
      4.200     2.200     1.800 peak   430 spectrum    1 weight  0.10000E+01 volume  0.63049E-03 ppm1      7.826 ppm2      1.512 CV     1
 ASSI !  431!
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      2.200     0.600     0.600 peak   431 spectrum    1 weight  0.10000E+01 volume  0.82258E-02 ppm1      7.826 ppm2      8.416 CV     1
 ASSI !  432!
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.800     1.000     1.000 peak   432 spectrum    1 weight  0.10000E+01 volume  0.26278E-02 ppm1      7.826 ppm2      4.993 CV     1
 ASSI !  433!
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.700     0.900     0.900 peak   433 spectrum    1 weight  0.10000E+01 volume  0.28084E-02 ppm1      7.826 ppm2      2.892 CV     1
 ASSI !  434!
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.200     1.300     1.300 peak   434 spectrum    1 weight  0.10000E+01 volume  0.24203E-02 ppm1      7.827 ppm2      2.658 CV     1
 ASSI !  435!
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HD21))
      4.500     2.500     1.500 peak   435 spectrum    1 weight  0.10000E+01 volume  0.54315E-03 ppm1      7.821 ppm2      7.531 CV     1
 ASSI !  436!
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HD22))
      5.700     4.000     0.300 peak   436 spectrum    1 weight  0.10000E+01 volume  0.30839E-03 ppm1      7.827 ppm2      6.822 CV     1
 ASSI !  438!
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      4.000     2.000     2.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.35213E-03 ppm1      7.824 ppm2      4.144 CV     1
 ASSI !  439!
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      4.200     2.200     1.800 peak   439 spectrum    1 weight  0.10000E+01 volume  0.58061E-03 ppm1      7.823 ppm2      8.561 CV     1
 ASSI !  440!
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 58   and name HE21))
      3.000     1.100     1.100 peak   440 spectrum    1 weight  0.10000E+01 volume  0.16219E-02 ppm1      7.831 ppm2      7.154 CV     1
 ASSI !  441!
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 58   and name HE22))
      4.000     2.000     2.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.64569E-03 ppm1      7.828 ppm2      6.746 CV     1
 ASSI !  442!
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      4.800     2.800     1.200 peak   442 spectrum    1 weight  0.10000E+01 volume  0.36165E-03 ppm1      8.567 ppm2      7.121 CV     1
 ASSI !  443!
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.900     1.900     1.900 peak   443 spectrum    1 weight  0.10000E+01 volume  0.44049E-03 ppm1      8.553 ppm2      3.892 CV     1
 ASSI !  444!
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.300     2.400     1.700 peak   444 spectrum    1 weight  0.10000E+01 volume  0.25759E-03 ppm1      8.554 ppm2      3.618 CV     1
 ASSI !  445!
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 54   and name HN  ))
      5.700     4.100     0.300 peak   445 spectrum    1 weight  0.10000E+01 volume  0.20297E-03 ppm1      8.559 ppm2      8.424 CV     1
 ASSI !  447!
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      5.500     3.800     0.500 peak   447 spectrum    1 weight  0.10000E+01 volume  0.25111E-03 ppm1      8.555 ppm2      2.886 CV     1
 ASSI !  448!
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      5.500     3.700     0.500 peak   448 spectrum    1 weight  0.10000E+01 volume  0.35458E-03 ppm1      8.557 ppm2      2.653 CV     1
 ASSI !  450!
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.000     1.100     1.100 peak   450 spectrum    1 weight  0.10000E+01 volume  0.12848E-02 ppm1      8.559 ppm2      4.145 CV     1
 ASSI !  451!
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      3.000     1.100     1.100 peak   451 spectrum    1 weight  0.10000E+01 volume  0.12645E-02 ppm1      8.559 ppm2      3.786 CV     1
 ASSI !  452!
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.900     1.900     1.900 peak   452 spectrum    1 weight  0.10000E+01 volume  0.72274E-03 ppm1      8.557 ppm2      3.723 CV     1
 ASSI !  454!
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      5.000     3.100     1.000 peak   454 spectrum    1 weight  0.10000E+01 volume  0.30107E-03 ppm1      8.559 ppm2      4.282 CV     1
 ASSI !  455!
   (( segid "    " and resid 56   and name HN  ))
   (  segid "    " and resid 57   and name HB# )
      4.300     2.300     1.700 peak   455 spectrum    1 weight  0.10000E+01 volume  0.70359E-03 ppm1      8.556 ppm2      1.492 CV     1
 ASSI !  456!
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.800     1.000     1.000 peak   456 spectrum    1 weight  0.10000E+01 volume  0.22430E-02 ppm1      8.557 ppm2      8.134 CV     1
 ASSI !  457!
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.600     1.600     1.600 peak   457 spectrum    1 weight  0.10000E+01 volume  0.11825E-02 ppm1      8.132 ppm2      4.991 CV     1
 ASSI !  458!
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      4.500     2.500     1.500 peak   458 spectrum    1 weight  0.10000E+01 volume  0.28955E-03 ppm1      8.121 ppm2      2.902 CV     1
 ASSI !  459!
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      4.700     2.800     1.300 peak   459 spectrum    1 weight  0.10000E+01 volume  0.37222E-03 ppm1      8.133 ppm2      2.662 CV     1
 ASSI !  461!
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.100     1.200     1.200 peak   461 spectrum    1 weight  0.10000E+01 volume  0.91922E-03 ppm1      8.135 ppm2      4.144 CV     1
 ASSI !  462!
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB1 ))
      4.300     2.300     1.700 peak   462 spectrum    1 weight  0.10000E+01 volume  0.46640E-03 ppm1      8.133 ppm2      3.786 CV     1
 ASSI !  463!
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      4.200     2.200     1.800 peak   463 spectrum    1 weight  0.10000E+01 volume  0.49261E-03 ppm1      8.135 ppm2      3.723 CV     1
 ASSI !  465!
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.700     0.900     0.900 peak   465 spectrum    1 weight  0.10000E+01 volume  0.46117E-02 ppm1      8.133 ppm2      4.281 CV     1
 ASSI !  468!
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.300     0.700     0.700 peak   468 spectrum    1 weight  0.10000E+01 volume  0.42034E-02 ppm1      8.133 ppm2      7.116 CV     1
 ASSI !  474!
   (( segid "    " and resid 58   and name HE21))
   (( segid "    " and resid 58   and name HE22))
      1.900     0.400     0.400 peak   474 spectrum    1 weight  0.10000E+01 volume  0.93276E-02 ppm1      7.161 ppm2      6.743 CV     1
 ASSI !  480!
   (( segid "    " and resid 58   and name HE22))
   (( segid "    " and resid 58   and name HG1 ))
      4.500     2.500     1.500 peak   480 spectrum    1 weight  0.10000E+01 volume  0.87121E-03 ppm1      6.743 ppm2      2.299 CV     1
 ASSI !  482!
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      4.500     2.600     1.500 peak   482 spectrum    1 weight  0.10000E+01 volume  0.60732E-03 ppm1      7.114 ppm2      4.987 CV     1
 ASSI !  483!
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      4.400     2.400     1.600 peak   483 spectrum    1 weight  0.10000E+01 volume  0.40366E-03 ppm1      7.120 ppm2      2.889 CV     1
 ASSI !  484!
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      5.500     3.800     0.500 peak   484 spectrum    1 weight  0.10000E+01 volume  0.29083E-03 ppm1      7.110 ppm2      2.657 CV     1
 ASSI !  485!
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 55   and name HD22))
      3.500     1.500     1.500 peak   485 spectrum    1 weight  0.10000E+01 volume  0.72373E-03 ppm1      7.109 ppm2      6.837 CV     1
 ASSI !  486!
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.800     1.800     1.800 peak   486 spectrum    1 weight  0.10000E+01 volume  0.36793E-03 ppm1      7.110 ppm2      4.149 CV     1
 ASSI !  487!
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.500     0.800     0.800 peak   487 spectrum    1 weight  0.10000E+01 volume  0.46648E-02 ppm1      7.111 ppm2      4.272 CV     1
 ASSI !  496!
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      6.000     4.500     0.000 peak   496 spectrum    1 weight  0.10000E+01 volume  0.42304E-03 ppm1      7.114 ppm2      3.000 CV     1
 ASSI !  498!
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      5.200     3.400     0.800 peak   498 spectrum    1 weight  0.10000E+01 volume  0.32931E-03 ppm1      7.118 ppm2      1.865 CV     1
 ASSI !  499!
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 100  and name HG1 ))
      5.500     3.800     0.500 peak   499 spectrum    1 weight  0.10000E+01 volume  0.29195E-03 ppm1      7.106 ppm2      1.343 CV     1
 ASSI !  501!
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 100  and name HG2 ))
      5.800     4.200     0.200 peak   501 spectrum    1 weight  0.10000E+01 volume  0.28441E-03 ppm1      7.116 ppm2      0.491 CV     1
 ASSI !  502!
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 49   and name HD1#)
      3.900     1.900     1.900 peak   502 spectrum    1 weight  0.10000E+01 volume  0.11564E-02 ppm1      7.367 ppm2      0.598 CV     1
 ASSI !  503!
   (( segid "    " and resid 59   and name HN  ))
   (  segid "    " and resid 49   and name HD2#)
      5.400     3.700     0.600 peak   503 spectrum    1 weight  0.10000E+01 volume  0.27006E-03 ppm1      7.366 ppm2     -1.152 CV     1
 ASSI !  504!
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      4.100     2.100     1.900 peak   504 spectrum    1 weight  0.10000E+01 volume  0.71630E-03 ppm1      7.367 ppm2      4.148 CV     1
 ASSI !  505!
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 57   and name HA  ))
      2.900     1.000     1.000 peak   505 spectrum    1 weight  0.10000E+01 volume  0.29660E-02 ppm1      7.368 ppm2      4.270 CV     1
 ASSI !  507!
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      4.500     2.500     1.500 peak   507 spectrum    1 weight  0.10000E+01 volume  0.73112E-03 ppm1      7.367 ppm2      8.135 CV     1
 ASSI !  508!
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB1 ))
      4.200     2.200     1.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.76128E-03 ppm1      7.365 ppm2      2.088 CV     1
 ASSI !  509!
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HB2 ))
      4.300     2.300     1.700 peak   509 spectrum    1 weight  0.10000E+01 volume  0.63319E-03 ppm1      7.364 ppm2      1.649 CV     1
 ASSI !  510!
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HG1 ))
      3.300     1.400     1.400 peak   510 spectrum    1 weight  0.10000E+01 volume  0.12187E-02 ppm1      7.367 ppm2      2.297 CV     1
 ASSI !  511!
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HG2 ))
      3.200     1.300     1.300 peak   511 spectrum    1 weight  0.10000E+01 volume  0.15862E-02 ppm1      7.366 ppm2      0.933 CV     1
 ASSI !  512!
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 58   and name HN  ))
      2.000     0.500     0.500 peak   512 spectrum    1 weight  0.10000E+01 volume  0.63606E-02 ppm1      7.368 ppm2      7.116 CV     1
 ASSI !  513!
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.600     0.900     0.900 peak   513 spectrum    1 weight  0.10000E+01 volume  0.17752E-02 ppm1      7.367 ppm2      4.620 CV     1
 ASSI !  514!
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      3.100     1.200     1.200 peak   514 spectrum    1 weight  0.10000E+01 volume  0.42815E-02 ppm1      7.367 ppm2      2.998 CV     1
 ASSI !  515!
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      2.500     0.800     0.800 peak   515 spectrum    1 weight  0.10000E+01 volume  0.22889E-02 ppm1      7.364 ppm2      2.803 CV     1
 ASSI !  518!
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      4.600     2.600     1.400 peak   518 spectrum    1 weight  0.10000E+01 volume  0.67526E-03 ppm1      7.365 ppm2      9.226 CV     1
 ASSI !  519!
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      4.500     2.500     1.500 peak   519 spectrum    1 weight  0.10000E+01 volume  0.79853E-03 ppm1      7.368 ppm2      4.542 CV     1
 ASSI !  520!
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 100  and name HG1 ))
      4.700     2.700     1.300 peak   520 spectrum    1 weight  0.10000E+01 volume  0.26192E-03 ppm1      7.363 ppm2      1.352 CV     1
 ASSI !  521!
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 100  and name HG2 ))
      5.300     3.500     0.700 peak   521 spectrum    1 weight  0.10000E+01 volume  0.26227E-03 ppm1      7.364 ppm2      0.482 CV     1
 ASSI !  523!
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      2.900     1.100     1.100 peak   523 spectrum    1 weight  0.10000E+01 volume  0.56608E-03 ppm1      9.222 ppm2      2.998 CV     1
 ASSI !  524!
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      4.200     2.200     1.800 peak   524 spectrum    1 weight  0.10000E+01 volume  0.84376E-03 ppm1      9.229 ppm2      2.814 CV     1
 ASSI !  527!
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.800     1.000     1.000 peak   527 spectrum    1 weight  0.10000E+01 volume  0.19243E-02 ppm1      9.227 ppm2      4.492 CV     1
 ASSI !  529!
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG1 ))
      4.800     2.900     1.200 peak   529 spectrum    1 weight  0.10000E+01 volume  0.52779E-03 ppm1      9.229 ppm2      2.465 CV     1
 ASSI !  530!
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
      4.500     2.500     1.500 peak   530 spectrum    1 weight  0.10000E+01 volume  0.61542E-03 ppm1      9.228 ppm2      2.275 CV     1
 ASSI !  532!
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 61   and name HN  ))
      2.200     0.600     0.600 peak   532 spectrum    1 weight  0.10000E+01 volume  0.43434E-02 ppm1      9.228 ppm2      7.998 CV     1
 ASSI !  533!
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      5.100     3.300     0.900 peak   533 spectrum    1 weight  0.10000E+01 volume  0.29389E-03 ppm1      9.229 ppm2      9.044 CV     1
 ASSI !  534!
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 76  and name HD1#) or ( segid "    " and resid 76  and name HD2#))
      3.900     1.900     1.900 peak   534 spectrum    1 weight  0.10000E+01 volume  0.69989E-03 ppm1      9.230 ppm2      0.919 CV     1
 ASSI !  537!
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      5.000     3.200     1.000 peak   537 spectrum    1 weight  0.10000E+01 volume  0.41901E-03 ppm1      9.229 ppm2      1.875 CV     1
 ASSI !  538!
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      5.500     3.800     0.500 peak   538 spectrum    1 weight  0.10000E+01 volume  0.34167E-03 ppm1      9.231 ppm2      1.486 CV     1
 ASSI !  539!
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 100  and name HG1 ))
      4.900     3.000     1.100 peak   539 spectrum    1 weight  0.10000E+01 volume  0.30345E-03 ppm1      9.227 ppm2      1.367 CV     1
 ASSI !  542!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      4.600     2.700     1.400 peak   542 spectrum    1 weight  0.10000E+01 volume  0.90485E-03 ppm1      7.993 ppm2      4.618 CV     1
 ASSI !  543!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HB1 ))
      4.100     2.100     1.900 peak   543 spectrum    1 weight  0.10000E+01 volume  0.70218E-03 ppm1      7.994 ppm2      3.001 CV     1
 ASSI !  544!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 59   and name HB2 ))
      5.400     3.700     0.600 peak   544 spectrum    1 weight  0.10000E+01 volume  0.59831E-03 ppm1      7.996 ppm2      2.818 CV     1
 ASSI !  545!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      3.600     1.600     1.600 peak   545 spectrum    1 weight  0.10000E+01 volume  0.11497E-02 ppm1      7.993 ppm2      4.488 CV     1
 ASSI !  547!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 60   and name HG1 ))
      5.100     3.200     0.900 peak   547 spectrum    1 weight  0.10000E+01 volume  0.39977E-03 ppm1      7.996 ppm2      2.475 CV     1
 ASSI !  550!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.700     0.900     0.900 peak   550 spectrum    1 weight  0.10000E+01 volume  0.14465E-02 ppm1      7.996 ppm2      5.077 CV     1
 ASSI !  551!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.100     1.200     1.200 peak   551 spectrum    1 weight  0.10000E+01 volume  0.93592E-03 ppm1      7.993 ppm2      1.263 CV     1
 ASSI !  552!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.700     1.700     1.700 peak   552 spectrum    1 weight  0.10000E+01 volume  0.97778E-03 ppm1      7.994 ppm2      1.099 CV     1
 ASSI !  553!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HD1 ))
      4.900     3.000     1.100 peak   553 spectrum    1 weight  0.10000E+01 volume  0.39763E-03 ppm1      7.994 ppm2      0.981 CV     1
 ASSI !  554!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HD2 ))
      4.400     2.400     1.600 peak   554 spectrum    1 weight  0.10000E+01 volume  0.61849E-03 ppm1      7.994 ppm2      0.881 CV     1
 ASSI !  555!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HE2 ))
      4.500     2.500     1.500 peak   555 spectrum    1 weight  0.10000E+01 volume  0.70733E-03 ppm1      7.994 ppm2      2.092 CV     1
 ASSI !  556!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG1 ))
      2.800     1.000     1.000 peak   556 spectrum    1 weight  0.10000E+01 volume  0.15427E-02 ppm1      7.993 ppm2      1.133 CV     1
 ASSI !  557!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      3.700     1.700     1.700 peak   557 spectrum    1 weight  0.10000E+01 volume  0.95768E-03 ppm1      7.997 ppm2      0.741 CV     1
 ASSI !  559!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      3.800     1.900     1.900 peak   559 spectrum    1 weight  0.10000E+01 volume  0.71501E-03 ppm1      7.998 ppm2      9.047 CV     1
 ASSI !  560!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      4.300     2.300     1.700 peak   560 spectrum    1 weight  0.10000E+01 volume  0.93849E-03 ppm1      7.993 ppm2      4.521 CV     1
 ASSI !  561!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      5.400     3.600     0.600 peak   561 spectrum    1 weight  0.10000E+01 volume  0.32902E-03 ppm1      8.001 ppm2      1.698 CV     1
 ASSI !  562!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      4.200     2.200     1.800 peak   562 spectrum    1 weight  0.10000E+01 volume  0.25468E-03 ppm1      7.995 ppm2      1.549 CV     1
 ASSI !  563!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 76  and name HD1#) or ( segid "    " and resid 76  and name HD2#))
      3.200     1.300     1.300 peak   563 spectrum    1 weight  0.10000E+01 volume  0.20321E-02 ppm1      7.994 ppm2      0.924 CV     1
 ASSI !  564!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 76   and name HG  ))
      4.400     2.400     1.600 peak   564 spectrum    1 weight  0.10000E+01 volume  0.35445E-03 ppm1      7.995 ppm2      1.502 CV     1
 ASSI !  565!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      4.600     2.600     1.400 peak   565 spectrum    1 weight  0.10000E+01 volume  0.33269E-03 ppm1      7.996 ppm2      8.531 CV     1
 ASSI !  566!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      4.500     2.500     1.500 peak   566 spectrum    1 weight  0.10000E+01 volume  0.45560E-03 ppm1      7.997 ppm2      5.187 CV     1
 ASSI !  567!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
      4.500     2.500     1.500 peak   567 spectrum    1 weight  0.10000E+01 volume  0.47504E-03 ppm1      7.995 ppm2      3.221 CV     1
 ASSI !  568!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      3.100     1.200     1.200 peak   568 spectrum    1 weight  0.10000E+01 volume  0.10322E-02 ppm1      7.993 ppm2      2.975 CV     1
 ASSI !  569!
   (( segid "    " and resid 61   and name HN  ))
   (  segid "    " and resid 99   and name HD# )
      4.700     2.800     1.300 peak   569 spectrum    1 weight  0.10000E+01 volume  0.35562E-03 ppm1      7.993 ppm2      7.030 CV     1
 ASSI !  570!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      3.100     1.200     1.200 peak   570 spectrum    1 weight  0.10000E+01 volume  0.11118E-02 ppm1      7.998 ppm2      8.976 CV     1
 ASSI !  571!
   (( segid "    " and resid 61   and name HN  ))
   (( segid "    " and resid 101  and name HA  ))
      6.000     5.400     0.000 peak   571 spectrum    1 weight  0.10000E+01 volume  0.20828E-03 ppm1      7.996 ppm2      4.189 CV     1
 ASSI !  572!
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      2.200     0.600     0.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.40648E-02 ppm1      9.054 ppm2      5.078 CV     1
 ASSI !  573!
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB1 ))
      3.800     1.800     1.800 peak   573 spectrum    1 weight  0.10000E+01 volume  0.15937E-02 ppm1      9.051 ppm2      1.266 CV     1
 ASSI !  575!
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HD1 ))
      3.200     1.300     1.300 peak   575 spectrum    1 weight  0.10000E+01 volume  0.79675E-03 ppm1      9.051 ppm2      0.983 CV     1
 ASSI !  576!
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HD2 ))
      3.300     1.400     1.400 peak   576 spectrum    1 weight  0.10000E+01 volume  0.96154E-03 ppm1      9.051 ppm2      0.883 CV     1
 ASSI !  577!
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG1 ))
      3.100     1.200     1.200 peak   577 spectrum    1 weight  0.10000E+01 volume  0.15221E-02 ppm1      9.051 ppm2      1.138 CV     1
 ASSI !  578!
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      4.100     2.100     1.900 peak   578 spectrum    1 weight  0.10000E+01 volume  0.11519E-02 ppm1      9.052 ppm2      0.756 CV     1
 ASSI !  581!
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      3.000     1.100     1.100 peak   581 spectrum    1 weight  0.10000E+01 volume  0.15937E-02 ppm1      9.051 ppm2      1.249 CV     1
 ASSI !  582!
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      4.000     2.000     2.000 peak   582 spectrum    1 weight  0.10000E+01 volume  0.81485E-03 ppm1      9.052 ppm2      0.858 CV     1
 ASSI !  587!
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      3.900     1.900     1.900 peak   587 spectrum    1 weight  0.10000E+01 volume  0.78939E-03 ppm1      9.056 ppm2      9.184 CV     1
 ASSI !  588!
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      4.000     2.000     2.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.96109E-03 ppm1      9.054 ppm2      4.878 CV     1
 ASSI !  591!
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.700     1.700     1.700 peak   591 spectrum    1 weight  0.10000E+01 volume  0.85879E-03 ppm1      9.050 ppm2      4.532 CV     1
 ASSI !  592!
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      4.800     2.800     1.200 peak   592 spectrum    1 weight  0.10000E+01 volume  0.55000E-03 ppm1      9.053 ppm2      1.550 CV     1
 ASSI !  593!
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 76  and name HD1#) or ( segid "    " and resid 76  and name HD2#))
      3.500     1.500     1.500 peak   593 spectrum    1 weight  0.10000E+01 volume  0.22740E-02 ppm1      9.051 ppm2      0.921 CV     1
 ASSI !  594!
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 76   and name HG  ))
      3.300     1.300     1.300 peak   594 spectrum    1 weight  0.10000E+01 volume  0.88654E-03 ppm1      9.052 ppm2      1.502 CV     1
 ASSI !  595!
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      4.300     2.300     1.700 peak   595 spectrum    1 weight  0.10000E+01 volume  0.60433E-03 ppm1      9.060 ppm2      8.527 CV     1
 ASSI !  596!
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 99   and name HN  ))
      4.200     2.200     1.800 peak   596 spectrum    1 weight  0.10000E+01 volume  0.51142E-03 ppm1      9.051 ppm2      8.969 CV     1
 ASSI !  600!
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      4.600     2.600     1.400 peak   600 spectrum    1 weight  0.10000E+01 volume  0.61774E-03 ppm1      9.184 ppm2      1.239 CV     1
 ASSI !  601!
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.000     1.100     1.100 peak   601 spectrum    1 weight  0.10000E+01 volume  0.17603E-02 ppm1      9.185 ppm2      0.868 CV     1
 ASSI !  602!
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HG1 ))
      4.600     2.600     1.400 peak   602 spectrum    1 weight  0.10000E+01 volume  0.23745E-03 ppm1      9.183 ppm2      2.440 CV     1
 ASSI !  603!
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HG2 ))
      5.500     3.800     0.500 peak   603 spectrum    1 weight  0.10000E+01 volume  0.21857E-03 ppm1      9.187 ppm2      2.117 CV     1
 ASSI !  605!
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.200     1.300     1.300 peak   605 spectrum    1 weight  0.10000E+01 volume  0.77777E-03 ppm1      9.187 ppm2      4.699 CV     1
 ASSI !  608!
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 63   and name HG2#)
      4.400     2.400     1.600 peak   608 spectrum    1 weight  0.10000E+01 volume  0.91349E-03 ppm1      9.179 ppm2      0.247 CV     1
 ASSI !  610!
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      4.000     2.000     2.000 peak   610 spectrum    1 weight  0.10000E+01 volume  0.84201E-03 ppm1      9.184 ppm2      9.248 CV     1
 ASSI !  611!
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      4.300     2.300     1.700 peak   611 spectrum    1 weight  0.10000E+01 volume  0.57538E-03 ppm1      9.189 ppm2      5.145 CV     1
 ASSI !  613!
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      5.300     3.500     0.700 peak   613 spectrum    1 weight  0.10000E+01 volume  0.28968E-03 ppm1      9.184 ppm2      2.736 CV     1
 ASSI !  614!
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 97   and name HB2 ))
      4.000     2.000     2.000 peak   614 spectrum    1 weight  0.10000E+01 volume  0.53663E-03 ppm1      9.186 ppm2      2.589 CV     1
 ASSI !  615!
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      3.100     1.200     1.200 peak   615 spectrum    1 weight  0.10000E+01 volume  0.14870E-02 ppm1      9.186 ppm2      8.972 CV     1
 ASSI !  616!
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      4.000     2.000     2.000 peak   616 spectrum    1 weight  0.10000E+01 volume  0.67061E-03 ppm1      9.188 ppm2      5.185 CV     1
 ASSI !  618!
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
      5.000     3.100     1.000 peak   618 spectrum    1 weight  0.10000E+01 volume  0.44036E-03 ppm1      9.246 ppm2      1.778 CV     1
 ASSI !  621!
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.000     1.100     1.100 peak   621 spectrum    1 weight  0.10000E+01 volume  0.10415E-02 ppm1      9.245 ppm2      4.302 CV     1
 ASSI !  623!
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HD1#)
      3.700     1.700     1.700 peak   623 spectrum    1 weight  0.10000E+01 volume  0.16218E-02 ppm1      9.245 ppm2      0.635 CV     1
 ASSI !  624!
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG11))
      2.500     0.800     0.800 peak   624 spectrum    1 weight  0.10000E+01 volume  0.17110E-02 ppm1      9.244 ppm2      1.444 CV     1
 ASSI !  625!
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 64   and name HG12))
      4.300     2.300     1.700 peak   625 spectrum    1 weight  0.10000E+01 volume  0.81427E-03 ppm1      9.246 ppm2      1.112 CV     1
 ASSI !  626!
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 64   and name HG2#)
      3.900     1.900     1.900 peak   626 spectrum    1 weight  0.10000E+01 volume  0.15567E-02 ppm1      9.246 ppm2      0.681 CV     1
 ASSI !  628!
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 65   and name HD2#)
      3.800     1.800     1.800 peak   628 spectrum    1 weight  0.10000E+01 volume  0.79974E-03 ppm1      9.246 ppm2      0.944 CV     1
 ASSI !  629!
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      3.800     1.800     1.800 peak   629 spectrum    1 weight  0.10000E+01 volume  0.12684E-02 ppm1      9.249 ppm2      9.121 CV     1
 ASSI !  630!
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      4.300     2.300     1.700 peak   630 spectrum    1 weight  0.10000E+01 volume  0.68083E-03 ppm1      9.249 ppm2      2.879 CV     1
 ASSI !  631!
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      4.200     2.200     1.800 peak   631 spectrum    1 weight  0.10000E+01 volume  0.47255E-03 ppm1      9.244 ppm2      2.696 CV     1
 ASSI !  632!
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.900     1.000     1.000 peak   632 spectrum    1 weight  0.10000E+01 volume  0.19243E-02 ppm1      9.247 ppm2      9.090 CV     1
 ASSI !  633!
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.900     1.100     1.100 peak   633 spectrum    1 weight  0.10000E+01 volume  0.16390E-02 ppm1      9.246 ppm2      4.875 CV     1
 ASSI !  634!
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HG  ))
      2.800     1.000     1.000 peak   634 spectrum    1 weight  0.10000E+01 volume  0.21453E-02 ppm1      9.119 ppm2      1.875 CV     1
 ASSI !  635!
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 63   and name HG2#)
      4.400     2.500     1.600 peak   635 spectrum    1 weight  0.10000E+01 volume  0.37829E-03 ppm1      9.112 ppm2      0.245 CV     1
 ASSI !  636!
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      2.200     0.600     0.600 peak   636 spectrum    1 weight  0.10000E+01 volume  0.55457E-02 ppm1      9.119 ppm2      4.304 CV     1
 ASSI !  637!
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 64   and name HD1#)
      5.000     3.100     1.000 peak   637 spectrum    1 weight  0.10000E+01 volume  0.88064E-03 ppm1      9.117 ppm2      0.627 CV     1
 ASSI !  638!
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG11))
      5.400     3.700     0.600 peak   638 spectrum    1 weight  0.10000E+01 volume  0.33570E-03 ppm1      9.115 ppm2      1.435 CV     1
 ASSI !  639!
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 64   and name HG12))
      4.800     2.900     1.200 peak   639 spectrum    1 weight  0.10000E+01 volume  0.49552E-03 ppm1      9.117 ppm2      1.113 CV     1
 ASSI !  644!
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      2.900     1.100     1.100 peak   644 spectrum    1 weight  0.10000E+01 volume  0.11032E-02 ppm1      9.118 ppm2      1.682 CV     1
 ASSI !  645!
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HD1#)
      4.000     2.000     2.000 peak   645 spectrum    1 weight  0.10000E+01 volume  0.14121E-02 ppm1      9.120 ppm2      1.135 CV     1
 ASSI !  648!
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 66   and name HG2#)
      3.900     1.900     1.900 peak   648 spectrum    1 weight  0.10000E+01 volume  0.61970E-03 ppm1      9.119 ppm2      1.050 CV     1
 ASSI !  649!
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 66   and name HN  ))
      4.400     2.400     1.600 peak   649 spectrum    1 weight  0.10000E+01 volume  0.49934E-03 ppm1      9.118 ppm2      8.634 CV     1
 ASSI !  650!
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 93   and name HG2 ) or ( segid "    " and resid 93  and name HG1 ))
      4.100     2.100     1.900 peak   650 spectrum    1 weight  0.10000E+01 volume  0.41177E-03 ppm1      9.120 ppm2      2.440 CV     1
 ASSI !  651!
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      3.200     1.300     1.300 peak   651 spectrum    1 weight  0.10000E+01 volume  0.99581E-03 ppm1      9.123 ppm2      7.293 CV     1
 ASSI !  652!
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.000     1.100     1.100 peak   652 spectrum    1 weight  0.10000E+01 volume  0.16095E-02 ppm1      9.117 ppm2      5.144 CV     1
 ASSI !  653!
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 96   and name HG1 ))
      3.800     1.800     1.800 peak   653 spectrum    1 weight  0.10000E+01 volume  0.70342E-03 ppm1      9.119 ppm2      3.307 CV     1
 ASSI !  654!
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      4.700     2.700     1.300 peak   654 spectrum    1 weight  0.10000E+01 volume  0.24564E-03 ppm1      9.117 ppm2      8.725 CV     1
 ASSI !  655!
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      4.600     2.600     1.400 peak   655 spectrum    1 weight  0.10000E+01 volume  0.56238E-03 ppm1      9.120 ppm2      8.974 CV     1
 ASSI !  656!
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 64   and name HG2#)
      4.100     2.100     1.900 peak   656 spectrum    1 weight  0.10000E+01 volume  0.48895E-03 ppm1      8.637 ppm2      0.685 CV     1
 ASSI !  657!
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      2.200     0.600     0.600 peak   657 spectrum    1 weight  0.10000E+01 volume  0.73304E-02 ppm1      8.637 ppm2      5.534 CV     1
 ASSI !  658!
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      4.000     2.000     2.000 peak   658 spectrum    1 weight  0.10000E+01 volume  0.64553E-03 ppm1      8.637 ppm2      2.165 CV     1
 ASSI !  659!
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      4.000     2.000     2.000 peak   659 spectrum    1 weight  0.10000E+01 volume  0.14264E-02 ppm1      8.635 ppm2      1.679 CV     1
 ASSI !  660!
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 65   and name HD1#)
      5.400     3.700     0.600 peak   660 spectrum    1 weight  0.10000E+01 volume  0.64781E-03 ppm1      8.633 ppm2      1.137 CV     1
 ASSI !  661!
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 65   and name HD2#)
      4.300     2.300     1.700 peak   661 spectrum    1 weight  0.10000E+01 volume  0.17674E-02 ppm1      8.634 ppm2      0.951 CV     1
 ASSI !  662!
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HG  ))
      5.400     3.700     0.600 peak   662 spectrum    1 weight  0.10000E+01 volume  0.43093E-03 ppm1      8.632 ppm2      1.868 CV     1
 ASSI !  664!
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      3.000     1.100     1.100 peak   664 spectrum    1 weight  0.10000E+01 volume  0.12314E-02 ppm1      8.634 ppm2      5.217 CV     1
 ASSI !  665!
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 66   and name HB  ))
      4.100     2.100     1.900 peak   665 spectrum    1 weight  0.10000E+01 volume  0.46835E-03 ppm1      8.637 ppm2      4.161 CV     1
 ASSI !  666!
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 66   and name HG2#)
      2.600     0.800     0.800 peak   666 spectrum    1 weight  0.10000E+01 volume  0.32646E-02 ppm1      8.638 ppm2      1.049 CV     1
 ASSI !  668!
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      3.600     1.600     1.600 peak   668 spectrum    1 weight  0.10000E+01 volume  0.12303E-02 ppm1      8.636 ppm2      8.574 CV     1
 ASSI !  669!
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 70   and name HA1 ))
      3.300     1.400     1.400 peak   669 spectrum    1 weight  0.10000E+01 volume  0.65475E-03 ppm1      8.637 ppm2      4.365 CV     1
 ASSI !  670!
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 70   and name HA2 ))
      4.100     2.100     1.900 peak   670 spectrum    1 weight  0.10000E+01 volume  0.56952E-03 ppm1      8.641 ppm2      3.872 CV     1
 ASSI !  671!
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      3.100     1.200     1.200 peak   671 spectrum    1 weight  0.10000E+01 volume  0.14289E-02 ppm1      8.639 ppm2      7.004 CV     1
 ASSI !  672!
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.600     1.700     1.700 peak   672 spectrum    1 weight  0.10000E+01 volume  0.76061E-03 ppm1      8.634 ppm2      5.097 CV     1
 ASSI !  673!
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      4.600     2.700     1.400 peak   673 spectrum    1 weight  0.10000E+01 volume  0.26550E-03 ppm1      8.633 ppm2      7.676 CV     1
 ASSI !  674!
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      4.900     3.000     1.100 peak   674 spectrum    1 weight  0.10000E+01 volume  0.35218E-03 ppm1      8.637 ppm2      9.417 CV     1
 ASSI !  675!
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 117  and name HD21))
      3.200     1.200     1.200 peak   675 spectrum    1 weight  0.10000E+01 volume  0.12775E-02 ppm1      8.633 ppm2      8.265 CV     1
 ASSI !  676!
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 117  and name HD22))
      3.000     1.100     1.100 peak   676 spectrum    1 weight  0.10000E+01 volume  0.16792E-02 ppm1      8.636 ppm2      6.852 CV     1
 ASSI !  677!
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      5.600     3.900     0.400 peak   677 spectrum    1 weight  0.10000E+01 volume  0.29368E-03 ppm1      8.586 ppm2      7.299 CV     1
 ASSI !  678!
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      2.400     0.700     0.700 peak   678 spectrum    1 weight  0.10000E+01 volume  0.28646E-02 ppm1      8.581 ppm2      5.216 CV     1
 ASSI !  679!
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 66   and name HB  ))
      2.300     0.600     0.600 peak   679 spectrum    1 weight  0.10000E+01 volume  0.36602E-02 ppm1      8.580 ppm2      4.158 CV     1
 ASSI !  683!
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      2.300     0.700     0.700 peak   683 spectrum    1 weight  0.10000E+01 volume  0.15725E-02 ppm1      8.579 ppm2      2.659 CV     1
 ASSI !  684!
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.300     1.300     1.300 peak   684 spectrum    1 weight  0.10000E+01 volume  0.21558E-02 ppm1      8.579 ppm2      2.569 CV     1
 ASSI !  686!
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      4.300     2.300     1.700 peak   686 spectrum    1 weight  0.10000E+01 volume  0.24995E-03 ppm1      8.580 ppm2      6.991 CV     1
 ASSI !  688!
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      4.300     2.300     1.700 peak   688 spectrum    1 weight  0.10000E+01 volume  0.50361E-03 ppm1      8.580 ppm2      7.225 CV     1
 ASSI !  689!
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 92   and name HB1 ))
      4.300     2.300     1.700 peak   689 spectrum    1 weight  0.10000E+01 volume  0.51815E-03 ppm1      8.581 ppm2      1.580 CV     1
 ASSI !  690!
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      4.800     2.900     1.200 peak   690 spectrum    1 weight  0.10000E+01 volume  0.56143E-03 ppm1      8.569 ppm2      1.470 CV     1
 ASSI !  692!
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      4.000     2.000     2.000 peak   692 spectrum    1 weight  0.10000E+01 volume  0.82906E-03 ppm1      8.579 ppm2      3.841 CV     1
 ASSI !  693!
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      4.400     2.400     1.600 peak   693 spectrum    1 weight  0.10000E+01 volume  0.44983E-03 ppm1      8.582 ppm2      2.899 CV     1
 ASSI !  694!
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      4.100     2.100     1.900 peak   694 spectrum    1 weight  0.10000E+01 volume  0.44439E-03 ppm1      8.571 ppm2      2.317 CV     1
 ASSI !  695!
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      4.100     2.100     1.900 peak   695 spectrum    1 weight  0.10000E+01 volume  0.63838E-03 ppm1      8.580 ppm2      9.417 CV     1
 ASSI !  696!
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 116  and name HG2#)
      4.900     3.000     1.100 peak   696 spectrum    1 weight  0.10000E+01 volume  0.47346E-03 ppm1      8.576 ppm2      0.874 CV     1
 ASSI !  700!
   (( segid "    " and resid 68   and name HD21))
   (( segid "    " and resid 68   and name HD22))
      1.700     0.400     0.500 peak   700 spectrum    1 weight  0.10000E+01 volume  0.11369E-01 ppm1      7.844 ppm2      7.150 CV     1
 ASSI !  703!
   (( segid "    " and resid 68   and name HD21))
   (  segid "    " and resid 120  and name HB# )
      5.300     3.500     0.700 peak   703 spectrum    1 weight  0.10000E+01 volume  0.22597E-03 ppm1      7.857 ppm2      1.270 CV     1
 ASSI !  705!
   (( segid "    " and resid 68   and name HD22))
   (( segid "    " and resid 68   and name HB1 ))
      4.300     2.300     1.700 peak   705 spectrum    1 weight  0.10000E+01 volume  0.12079E-02 ppm1      7.156 ppm2      3.197 CV     1
 ASSI !  710!
   (( segid "    " and resid 68   and name HD22))
   (( segid "    " and resid 92   and name HN  ))
      5.900     4.400     0.100 peak   710 spectrum    1 weight  0.10000E+01 volume  0.19827E-03 ppm1      7.151 ppm2      8.769 CV     1
 ASSI !  711!
   (( segid "    " and resid 68   and name HD22))
   (  segid "    " and resid 120  and name HB# )
      4.200     2.200     1.800 peak   711 spectrum    1 weight  0.10000E+01 volume  0.60229E-03 ppm1      7.151 ppm2      1.262 CV     1
 ASSI !  713!
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      2.400     0.700     0.700 peak   713 spectrum    1 weight  0.10000E+01 volume  0.31633E-02 ppm1      8.578 ppm2      4.464 CV     1
 ASSI !  714!
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67  and name HB1 ) or ( segid "    " and resid 67  and name HB2 ))
      2.700     0.900     0.900 peak   714 spectrum    1 weight  0.10000E+01 volume  0.18016E-02 ppm1      8.578 ppm2      2.017 CV     1
 ASSI !  718!
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB1 ))
      4.700     2.800     1.300 peak   718 spectrum    1 weight  0.10000E+01 volume  0.41748E-03 ppm1      8.574 ppm2      3.202 CV     1
 ASSI !  719!
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HB2 ))
      3.700     1.700     1.700 peak   719 spectrum    1 weight  0.10000E+01 volume  0.69881E-03 ppm1      8.581 ppm2      2.840 CV     1
 ASSI !  720!
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 68   and name HD22))
      4.600     2.600     1.400 peak   720 spectrum    1 weight  0.10000E+01 volume  0.39256E-03 ppm1      8.578 ppm2      7.141 CV     1
 ASSI !  722!
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      4.600     2.700     1.400 peak   722 spectrum    1 weight  0.10000E+01 volume  0.83591E-03 ppm1      8.574 ppm2      3.939 CV     1
 ASSI !  723!
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69  and name HD1 ) or ( segid "    " and resid 69  and name HD2 ))
      5.200     3.300     0.800 peak   723 spectrum    1 weight  0.10000E+01 volume  0.34709E-03 ppm1      8.577 ppm2      1.538 CV     1
 ASSI !  724!
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HG1 ))
      4.400     2.500     1.600 peak   724 spectrum    1 weight  0.10000E+01 volume  0.31143E-03 ppm1      8.577 ppm2      1.054 CV     1
 ASSI !  725!
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HG2 ))
      5.100     3.200     0.900 peak   725 spectrum    1 weight  0.10000E+01 volume  0.35269E-03 ppm1      8.576 ppm2      0.944 CV     1
 ASSI !  726!
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.700     0.900     0.900 peak   726 spectrum    1 weight  0.10000E+01 volume  0.21026E-02 ppm1      8.578 ppm2      7.891 CV     1
 ASSI !  727!
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      4.700     2.700     1.300 peak   727 spectrum    1 weight  0.10000E+01 volume  0.26425E-03 ppm1      8.575 ppm2      6.985 CV     1
 ASSI !  728!
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 91   and name HA1 ))
      5.400     3.600     0.600 peak   728 spectrum    1 weight  0.10000E+01 volume  0.25263E-03 ppm1      8.575 ppm2      4.181 CV     1
 ASSI !  729!
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 91   and name HA2 ))
      5.800     4.200     0.200 peak   729 spectrum    1 weight  0.10000E+01 volume  0.51441E-03 ppm1      8.575 ppm2      3.910 CV     1
 ASSI !  730!
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 92   and name HN  ))
      5.800     4.200     0.200 peak   730 spectrum    1 weight  0.10000E+01 volume  0.32799E-03 ppm1      8.575 ppm2      8.777 CV     1
 ASSI !  732!
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      4.400     2.400     1.600 peak   732 spectrum    1 weight  0.10000E+01 volume  0.38113E-03 ppm1      8.574 ppm2      4.121 CV     1
 ASSI !  734!
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 120  and name HB# )
      4.400     2.400     1.600 peak   734 spectrum    1 weight  0.10000E+01 volume  0.58161E-03 ppm1      8.577 ppm2      1.254 CV     1
 ASSI !  736!
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.500     1.500     1.500 peak   736 spectrum    1 weight  0.10000E+01 volume  0.57858E-03 ppm1      7.889 ppm2      4.469 CV     1
 ASSI !  740!
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      4.600     2.700     1.400 peak   740 spectrum    1 weight  0.10000E+01 volume  0.57767E-03 ppm1      7.890 ppm2      1.927 CV     1
 ASSI !  741!
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.900     1.900     1.900 peak   741 spectrum    1 weight  0.10000E+01 volume  0.76659E-03 ppm1      7.890 ppm2      1.888 CV     1
 ASSI !  742!
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69  and name HD1 ) or ( segid "    " and resid 69  and name HD2 ))
      4.800     2.800     1.200 peak   742 spectrum    1 weight  0.10000E+01 volume  0.67630E-03 ppm1      7.902 ppm2      1.543 CV     1
 ASSI !  743!
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 69  and name HE2 ) or ( segid "    " and resid 69  and name HE1 ))
      5.100     3.300     0.900 peak   743 spectrum    1 weight  0.10000E+01 volume  0.33028E-03 ppm1      7.885 ppm2      2.826 CV     1
 ASSI !  747!
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 70   and name HA1 ))
      5.100     3.300     0.900 peak   747 spectrum    1 weight  0.10000E+01 volume  0.36383E-03 ppm1      7.885 ppm2      4.361 CV     1
 ASSI !  749!
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      3.800     1.800     1.800 peak   749 spectrum    1 weight  0.10000E+01 volume  0.30435E-03 ppm1      7.881 ppm2      4.909 CV     1
 ASSI !  750!
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 117  and name HD21))
      4.500     2.600     1.500 peak   750 spectrum    1 weight  0.10000E+01 volume  0.28928E-03 ppm1      7.885 ppm2      8.270 CV     1
 ASSI !  751!
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 117  and name HD22))
      5.400     3.600     0.600 peak   751 spectrum    1 weight  0.10000E+01 volume  0.37096E-03 ppm1      7.886 ppm2      6.853 CV     1
 ASSI !  752!
   (( segid "    " and resid 69   and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      3.800     1.800     1.800 peak   752 spectrum    1 weight  0.10000E+01 volume  0.53651E-03 ppm1      7.883 ppm2      4.123 CV     1
 ASSI !  754!
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      4.600     2.600     1.400 peak   754 spectrum    1 weight  0.10000E+01 volume  0.42022E-03 ppm1      7.000 ppm2      5.527 CV     1
 ASSI !  756!
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      4.500     2.600     1.500 peak   756 spectrum    1 weight  0.10000E+01 volume  0.33225E-03 ppm1      6.999 ppm2      3.754 CV     1
 ASSI !  758!
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      2.800     1.000     1.000 peak   758 spectrum    1 weight  0.10000E+01 volume  0.27759E-02 ppm1      6.999 ppm2      3.930 CV     1
 ASSI !  759!
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
      4.400     2.400     1.600 peak   759 spectrum    1 weight  0.10000E+01 volume  0.49078E-03 ppm1      6.997 ppm2      1.933 CV     1
 ASSI !  760!
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.700     1.700     1.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.70259E-03 ppm1      7.000 ppm2      1.879 CV     1
 ASSI !  761!
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69  and name HE1 ) or ( segid "    " and resid 69  and name HE2 ))
      3.300     3.300     2.700 peak   761 spectrum    1 weight  0.10000E+01 volume  0.31186E-03 ppm1      6.999 ppm2      2.826 CV     1
 ASSI !  762!
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.800     1.000     1.000 peak   762 spectrum    1 weight  0.10000E+01 volume  0.18839E-02 ppm1      6.998 ppm2      7.887 CV     1
 ASSI !  763!
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA1 ))
      2.400     0.700     0.700 peak   763 spectrum    1 weight  0.10000E+01 volume  0.31140E-02 ppm1      7.000 ppm2      4.359 CV     1
 ASSI !  766!
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HN  ))
      4.500     2.500     1.500 peak   766 spectrum    1 weight  0.10000E+01 volume  0.89227E-03 ppm1      6.997 ppm2      7.676 CV     1
 ASSI !  767!
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 90   and name HA  ))
      4.900     3.000     1.100 peak   767 spectrum    1 weight  0.10000E+01 volume  0.77934E-03 ppm1      6.999 ppm2      4.145 CV     1
 ASSI !  768!
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 90   and name HB1 ))
      4.200     2.200     1.800 peak   768 spectrum    1 weight  0.10000E+01 volume  0.58655E-03 ppm1      6.999 ppm2      1.668 CV     1
 ASSI !  769!
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 90   and name HB2 ))
      3.700     1.700     1.700 peak   769 spectrum    1 weight  0.10000E+01 volume  0.92641E-03 ppm1      6.997 ppm2      1.541 CV     1
 ASSI !  770!
   (( segid "    " and resid 70   and name HN  ))
   (  segid "    " and resid 90   and name HD1#)
      4.000     2.000     2.000 peak   770 spectrum    1 weight  0.10000E+01 volume  0.18683E-02 ppm1      6.999 ppm2      0.951 CV     1
 ASSI !  771!
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 117  and name HD21))
      3.700     1.800     1.800 peak   771 spectrum    1 weight  0.10000E+01 volume  0.65026E-03 ppm1      6.998 ppm2      8.268 CV     1
 ASSI !  772!
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 117  and name HD22))
      4.100     2.100     1.900 peak   772 spectrum    1 weight  0.10000E+01 volume  0.78503E-03 ppm1      6.998 ppm2      6.848 CV     1
 ASSI !  773!
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      4.900     2.900     1.100 peak   773 spectrum    1 weight  0.10000E+01 volume  0.24917E-03 ppm1      7.681 ppm2      5.538 CV     1
 ASSI !  775!
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 70   and name HA2 ))
      2.200     0.600     0.600 peak   775 spectrum    1 weight  0.10000E+01 volume  0.44987E-02 ppm1      7.679 ppm2      3.874 CV     1
 ASSI !  777!
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.100     1.200     1.200 peak   777 spectrum    1 weight  0.10000E+01 volume  0.13511E-02 ppm1      7.683 ppm2      5.098 CV     1
 ASSI !  778!
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.800     1.000     1.000 peak   778 spectrum    1 weight  0.10000E+01 volume  0.19345E-02 ppm1      7.680 ppm2      2.968 CV     1
 ASSI !  779!
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      3.200     1.300     1.300 peak   779 spectrum    1 weight  0.10000E+01 volume  0.14195E-02 ppm1      7.682 ppm2      2.578 CV     1
 ASSI !  780!
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 71   and name HD# )
      4.900     3.000     1.100 peak   780 spectrum    1 weight  0.10000E+01 volume  0.50947E-03 ppm1      7.683 ppm2      6.936 CV     1
 ASSI !  783!
   (( segid "    " and resid 71   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      4.400     2.400     1.600 peak   783 spectrum    1 weight  0.10000E+01 volume  0.70006E-03 ppm1      7.677 ppm2      9.101 CV     1
 ASSI !  784!
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 90   and name HD1#)
      3.600     1.600     1.600 peak   784 spectrum    1 weight  0.10000E+01 volume  0.21467E-02 ppm1      7.679 ppm2      0.951 CV     1
 ASSI !  785!
   (( segid "    " and resid 71   and name HN  ))
   (  segid "    " and resid 90   and name HD2#)
      6.000     4.600     0.000 peak   785 spectrum    1 weight  0.10000E+01 volume  0.50067E-03 ppm1      7.680 ppm2      1.046 CV     1
 ASSI !  786!
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 63   and name HG1#)
      3.100     3.100     2.900 peak   786 spectrum    1 weight  0.10000E+01 volume  0.44069E-03 ppm1      9.103 ppm2      0.752 CV     1
 ASSI !  788!
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 64   and name HA  ))
      3.400     3.400     2.600 peak   788 spectrum    1 weight  0.10000E+01 volume  0.25846E-03 ppm1      9.099 ppm2      4.299 CV     1
 ASSI !  790!
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 64   and name HD1#)
      4.600     2.600     1.400 peak   790 spectrum    1 weight  0.10000E+01 volume  0.46138E-03 ppm1      9.096 ppm2      0.633 CV     1
 ASSI !  791!
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 64   and name HG2#)
      3.800     1.800     1.800 peak   791 spectrum    1 weight  0.10000E+01 volume  0.95610E-03 ppm1      9.094 ppm2      0.686 CV     1
 ASSI !  793!
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.600     1.600     1.600 peak   793 spectrum    1 weight  0.10000E+01 volume  0.73150E-03 ppm1      9.100 ppm2      5.531 CV     1
 ASSI !  794!
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 65   and name HD2#)
      3.600     1.600     1.600 peak   794 spectrum    1 weight  0.10000E+01 volume  0.12685E-02 ppm1      9.096 ppm2      0.956 CV     1
 ASSI !  796!
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
      4.500     2.500     1.500 peak   796 spectrum    1 weight  0.10000E+01 volume  0.71082E-03 ppm1      9.099 ppm2      2.968 CV     1
 ASSI !  797!
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      4.700     2.700     1.300 peak   797 spectrum    1 weight  0.10000E+01 volume  0.78603E-03 ppm1      9.101 ppm2      2.582 CV     1
 ASSI !  798!
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 71   and name HD# )
      3.600     1.700     1.700 peak   798 spectrum    1 weight  0.10000E+01 volume  0.10254E-02 ppm1      9.098 ppm2      6.934 CV     1
 ASSI !  799!
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 71   and name HE# )
      4.600     2.700     1.400 peak   799 spectrum    1 weight  0.10000E+01 volume  0.32115E-03 ppm1      9.098 ppm2      6.612 CV     1
 ASSI !  801!
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      2.800     1.000     1.000 peak   801 spectrum    1 weight  0.10000E+01 volume  0.21333E-02 ppm1      9.099 ppm2      4.876 CV     1
 ASSI !  802!
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.700     1.700     1.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.13738E-02 ppm1      9.097 ppm2      2.868 CV     1
 ASSI !  803!
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.000     1.100     1.100 peak   803 spectrum    1 weight  0.10000E+01 volume  0.10892E-02 ppm1      9.100 ppm2      2.692 CV     1
 ASSI !  804!
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 72   and name HD# )
      3.600     1.600     1.600 peak   804 spectrum    1 weight  0.10000E+01 volume  0.10172E-02 ppm1      9.101 ppm2      7.002 CV     1
 ASSI !  805!
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 72   and name HE# )
      5.200     3.300     0.800 peak   805 spectrum    1 weight  0.10000E+01 volume  0.21676E-03 ppm1      9.094 ppm2      6.811 CV     1
 ASSI !  808!
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 38   and name HD1#)
      4.700     2.800     1.300 peak   808 spectrum    1 weight  0.10000E+01 volume  0.43397E-03 ppm1      9.018 ppm2      0.851 CV     1
 ASSI !  809!
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 63   and name HG2#)
      4.600     2.700     1.400 peak   809 spectrum    1 weight  0.10000E+01 volume  0.35204E-03 ppm1      9.025 ppm2      0.245 CV     1
 ASSI !  810!
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 64   and name HD1#)
      4.400     2.400     1.600 peak   810 spectrum    1 weight  0.10000E+01 volume  0.34746E-03 ppm1      9.018 ppm2      0.631 CV     1
 ASSI !  811!
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.800     1.800     1.800 peak   811 spectrum    1 weight  0.10000E+01 volume  0.66376E-03 ppm1      9.017 ppm2      2.875 CV     1
 ASSI !  812!
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      4.000     2.000     2.000 peak   812 spectrum    1 weight  0.10000E+01 volume  0.12499E-02 ppm1      9.023 ppm2      2.690 CV     1
 ASSI !  813!
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 72   and name HD# )
      5.000     3.100     1.000 peak   813 spectrum    1 weight  0.10000E+01 volume  0.37179E-03 ppm1      9.019 ppm2      6.992 CV     1
 ASSI !  814!
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      2.800     1.000     1.000 peak   814 spectrum    1 weight  0.10000E+01 volume  0.36418E-02 ppm1      9.020 ppm2      4.033 CV     1
 ASSI !  817!
   (( segid "    " and resid 73   and name HN  ))
   (  segid "    " and resid 74   and name HG2#)
      3.400     1.500     1.500 peak   817 spectrum    1 weight  0.10000E+01 volume  0.95610E-03 ppm1      9.020 ppm2      0.759 CV     1
 ASSI !  818!
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      4.200     2.200     1.800 peak   818 spectrum    1 weight  0.10000E+01 volume  0.74898E-03 ppm1      9.025 ppm2      9.246 CV     1
 ASSI !  820!
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      4.800     2.900     1.200 peak   820 spectrum    1 weight  0.10000E+01 volume  0.37578E-03 ppm1      9.247 ppm2      1.259 CV     1
 ASSI !  821!
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 62   and name HE# )
      4.200     2.200     1.800 peak   821 spectrum    1 weight  0.10000E+01 volume  0.74458E-03 ppm1      9.240 ppm2      1.997 CV     1
 ASSI !  824!
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.900     1.000     1.000 peak   824 spectrum    1 weight  0.10000E+01 volume  0.18455E-02 ppm1      9.236 ppm2      9.044 CV     1
 ASSI !  825!
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.700     1.700     1.700 peak   825 spectrum    1 weight  0.10000E+01 volume  0.92171E-03 ppm1      9.239 ppm2      4.698 CV     1
 ASSI !  826!
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 63   and name HG2#)
      3.200     3.200     2.800 peak   826 spectrum    1 weight  0.10000E+01 volume  0.40009E-03 ppm1      9.235 ppm2      0.252 CV     1
 ASSI !  827!
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.600     2.600     3.400 peak   827 spectrum    1 weight  0.10000E+01 volume  0.13148E-02 ppm1      9.236 ppm2      9.178 CV     1
 ASSI !  828!
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 64   and name HD1#)
      3.900     1.900     1.900 peak   828 spectrum    1 weight  0.10000E+01 volume  0.56575E-03 ppm1      9.238 ppm2      0.624 CV     1
 ASSI !  829!
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.100     0.500     0.500 peak   829 spectrum    1 weight  0.10000E+01 volume  0.93829E-02 ppm1      9.238 ppm2      4.877 CV     1
 ASSI !  830!
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB  ))
      4.500     2.500     1.500 peak   830 spectrum    1 weight  0.10000E+01 volume  0.65051E-03 ppm1      9.239 ppm2      4.045 CV     1
 ASSI !  831!
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 73   and name HG2#)
      3.200     1.200     1.200 peak   831 spectrum    1 weight  0.10000E+01 volume  0.42371E-02 ppm1      9.237 ppm2      0.928 CV     1
 ASSI !  832!
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.900     1.100     1.100 peak   832 spectrum    1 weight  0.10000E+01 volume  0.14637E-02 ppm1      9.238 ppm2      4.429 CV     1
 ASSI !  834!
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 74   and name HG1#)
      3.800     1.800     1.800 peak   834 spectrum    1 weight  0.10000E+01 volume  0.15287E-02 ppm1      9.237 ppm2      0.971 CV     1
 ASSI !  835!
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 74   and name HG2#)
      2.600     0.900     0.900 peak   835 spectrum    1 weight  0.10000E+01 volume  0.44642E-02 ppm1      9.237 ppm2      0.755 CV     1
 ASSI !  838!
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      4.700     2.800     1.300 peak   838 spectrum    1 weight  0.10000E+01 volume  0.51587E-03 ppm1      9.379 ppm2      5.076 CV     1
 ASSI !  839!
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HA  ))
      2.100     0.500     0.500 peak   839 spectrum    1 weight  0.10000E+01 volume  0.81278E-02 ppm1      9.379 ppm2      4.423 CV     1
 ASSI !  840!
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB  ))
      4.300     2.300     1.700 peak   840 spectrum    1 weight  0.10000E+01 volume  0.55179E-03 ppm1      9.376 ppm2      1.834 CV     1
 ASSI !  841!
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HG1#)
      2.700     0.900     0.900 peak   841 spectrum    1 weight  0.10000E+01 volume  0.38699E-02 ppm1      9.381 ppm2      0.977 CV     1
 ASSI !  842!
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HG2#)
      4.000     2.000     2.000 peak   842 spectrum    1 weight  0.10000E+01 volume  0.20014E-02 ppm1      9.380 ppm2      0.760 CV     1
 ASSI !  843!
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HN  ))
      3.900     1.900     1.900 peak   843 spectrum    1 weight  0.10000E+01 volume  0.83819E-03 ppm1      9.384 ppm2      9.241 CV     1
 ASSI !  844!
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      2.800     0.900     0.900 peak   844 spectrum    1 weight  0.10000E+01 volume  0.17045E-02 ppm1      9.381 ppm2      4.522 CV     1
 ASSI !  845!
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      3.500     1.500     1.500 peak   845 spectrum    1 weight  0.10000E+01 volume  0.26771E-02 ppm1      9.380 ppm2      3.352 CV     1
 ASSI !  847!
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD# )
      3.600     1.700     1.700 peak   847 spectrum    1 weight  0.10000E+01 volume  0.45357E-03 ppm1      9.379 ppm2      7.289 CV     1
 ASSI !  849!
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76  and name HD2#) or ( segid "    " and resid 76  and name HD1#))
      3.700     1.700     1.700 peak   849 spectrum    1 weight  0.10000E+01 volume  0.17018E-02 ppm1      9.382 ppm2      0.928 CV     1
 ASSI !  850!
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      4.200     2.200     1.800 peak   850 spectrum    1 weight  0.10000E+01 volume  0.59997E-03 ppm1      9.381 ppm2      8.530 CV     1
 ASSI !  851!
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 78   and name HG2#)
      4.800     2.900     1.200 peak   851 spectrum    1 weight  0.10000E+01 volume  0.57090E-03 ppm1      9.384 ppm2      1.180 CV     1
 ASSI !  853!
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 60   and name HG1 ))
      4.900     3.100     1.100 peak   853 spectrum    1 weight  0.10000E+01 volume  0.32597E-03 ppm1      8.527 ppm2      2.460 CV     1
 ASSI !  855!
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      4.100     2.100     1.900 peak   855 spectrum    1 weight  0.10000E+01 volume  0.58963E-03 ppm1      8.524 ppm2      1.105 CV     1
 ASSI !  856!
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 61   and name HG1 ))
      5.400     3.600     0.600 peak   856 spectrum    1 weight  0.10000E+01 volume  0.37784E-03 ppm1      8.519 ppm2      1.139 CV     1
 ASSI !  857!
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      6.000     5.300     0.000 peak   857 spectrum    1 weight  0.10000E+01 volume  0.20082E-03 ppm1      8.520 ppm2      0.749 CV     1
 ASSI !  858!
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      4.600     2.600     1.400 peak   858 spectrum    1 weight  0.10000E+01 volume  0.61862E-03 ppm1      8.517 ppm2      1.261 CV     1
 ASSI !  861!
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      4.400     2.400     1.600 peak   861 spectrum    1 weight  0.10000E+01 volume  0.67257E-03 ppm1      8.528 ppm2      3.057 CV     1
 ASSI !  865!
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76  and name HD2#) or ( segid "    " and resid 76  and name HD1#))
      3.400     1.500     1.500 peak   865 spectrum    1 weight  0.10000E+01 volume  0.23031E-02 ppm1      8.523 ppm2      0.923 CV     1
 ASSI !  866!
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HG  ))
      2.400     0.700     0.700 peak   866 spectrum    1 weight  0.10000E+01 volume  0.22577E-02 ppm1      8.523 ppm2      1.509 CV     1
 ASSI !  869!
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      4.700     2.700     1.300 peak   869 spectrum    1 weight  0.10000E+01 volume  0.35447E-03 ppm1      8.524 ppm2      7.426 CV     1
 ASSI !  873!
   (( segid "    " and resid 77   and name HD21))
   (( segid "    " and resid 77   and name HD22))
      1.800     0.400     0.400 peak   873 spectrum    1 weight  0.10000E+01 volume  0.16787E-01 ppm1      7.748 ppm2      6.985 CV     1
 ASSI !  879!
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
      4.500     2.500     1.500 peak   879 spectrum    1 weight  0.10000E+01 volume  0.52824E-03 ppm1      8.606 ppm2      5.081 CV     1
 ASSI !  881!
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.400     1.500     1.500 peak   881 spectrum    1 weight  0.10000E+01 volume  0.27985E-02 ppm1      8.600 ppm2      3.056 CV     1
 ASSI !  882!
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.900     1.000     1.000 peak   882 spectrum    1 weight  0.10000E+01 volume  0.19127E-02 ppm1      8.602 ppm2      4.535 CV     1
 ASSI !  883!
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      4.100     2.100     1.900 peak   883 spectrum    1 weight  0.10000E+01 volume  0.59320E-03 ppm1      8.604 ppm2      1.718 CV     1
 ASSI !  884!
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.300     1.400     1.400 peak   884 spectrum    1 weight  0.10000E+01 volume  0.79554E-03 ppm1      8.597 ppm2      1.552 CV     1
 ASSI !  885!
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76  and name HD2#) or ( segid "    " and resid 76  and name HD1#))
      2.800     2.800     3.200 peak   885 spectrum    1 weight  0.10000E+01 volume  0.81813E-03 ppm1      8.601 ppm2      0.927 CV     1
 ASSI !  886!
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HG  ))
      4.300     2.300     1.700 peak   886 spectrum    1 weight  0.10000E+01 volume  0.66783E-03 ppm1      8.600 ppm2      1.499 CV     1
 ASSI !  887!
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HN  ))
      2.200     0.600     0.600 peak   887 spectrum    1 weight  0.10000E+01 volume  0.37533E-02 ppm1      8.599 ppm2      8.524 CV     1
 ASSI !  890!
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      3.000     1.100     1.100 peak   890 spectrum    1 weight  0.10000E+01 volume  0.27985E-02 ppm1      8.601 ppm2      3.043 CV     1
 ASSI !  891!
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HD21))
      4.700     2.700     1.300 peak   891 spectrum    1 weight  0.10000E+01 volume  0.33637E-03 ppm1      8.605 ppm2      7.751 CV     1
 ASSI !  892!
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HD22))
      5.300     3.500     0.700 peak   892 spectrum    1 weight  0.10000E+01 volume  0.34922E-03 ppm1      8.598 ppm2      6.991 CV     1
 ASSI !  894!
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 78   and name HG2#)
      4.100     2.100     1.900 peak   894 spectrum    1 weight  0.10000E+01 volume  0.83574E-03 ppm1      8.601 ppm2      1.180 CV     1
 ASSI !  895!
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.300     0.700     0.700 peak   895 spectrum    1 weight  0.10000E+01 volume  0.55935E-02 ppm1      8.601 ppm2      7.430 CV     1
 ASSI !  896!
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 46  and name HH11) or ( segid "    " and resid 46  and name HH12))
      4.200     2.200     1.800 peak   896 spectrum    1 weight  0.10000E+01 volume  0.49701E-03 ppm1      7.429 ppm2      6.579 CV     1
 ASSI !  897!
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 46  and name HH22) or ( segid "    " and resid 46  and name HH21))
      3.800     1.800     1.800 peak   897 spectrum    1 weight  0.10000E+01 volume  0.49581E-03 ppm1      7.427 ppm2      6.204 CV     1
 ASSI !  898!
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      3.700     1.700     1.700 peak   898 spectrum    1 weight  0.10000E+01 volume  0.55964E-03 ppm1      7.427 ppm2      3.339 CV     1
 ASSI !  900!
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76  and name HD2#) or ( segid "    " and resid 76  and name HD1#))
      3.000     3.000     3.000 peak   900 spectrum    1 weight  0.10000E+01 volume  0.53356E-03 ppm1      7.429 ppm2      0.914 CV     1
 ASSI !  903!
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.900     1.900     1.900 peak   903 spectrum    1 weight  0.10000E+01 volume  0.67086E-03 ppm1      7.429 ppm2      3.185 CV     1
 ASSI !  904!
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
      4.300     2.300     1.700 peak   904 spectrum    1 weight  0.10000E+01 volume  0.90531E-03 ppm1      7.427 ppm2      3.049 CV     1
 ASSI !  906!
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      2.400     0.700     0.700 peak   906 spectrum    1 weight  0.10000E+01 volume  0.51167E-02 ppm1      7.427 ppm2      4.830 CV     1
 ASSI !  907!
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      3.700     1.700     1.700 peak   907 spectrum    1 weight  0.10000E+01 volume  0.11691E-02 ppm1      7.428 ppm2      4.247 CV     1
 ASSI !  911!
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HD2 ))
      5.300     3.600     0.700 peak   911 spectrum    1 weight  0.10000E+01 volume  0.37760E-03 ppm1      7.427 ppm2      3.680 CV     1
 ASSI !  912!
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HG1 ))
      5.600     3.900     0.400 peak   912 spectrum    1 weight  0.10000E+01 volume  0.21783E-03 ppm1      7.433 ppm2      1.995 CV     1
 ASSI !  913!
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 46   and name HE  ))
      3.500     3.500     2.500 peak   913 spectrum    1 weight  0.10000E+01 volume  0.21337E-03 ppm1      9.050 ppm2      9.522 CV     1
 ASSI !  914!
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 46  and name HH11) or ( segid "    " and resid 46  and name HH12))
      4.400     2.400     1.600 peak   914 spectrum    1 weight  0.10000E+01 volume  0.30395E-03 ppm1      9.051 ppm2      6.581 CV     1
 ASSI !  915!
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 46  and name HH22) or ( segid "    " and resid 46  and name HH21))
      3.000     1.200     1.200 peak   915 spectrum    1 weight  0.10000E+01 volume  0.96358E-03 ppm1      9.050 ppm2      6.217 CV     1
 ASSI !  916!
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.000     0.500     0.500 peak   916 spectrum    1 weight  0.10000E+01 volume  0.76223E-02 ppm1      9.051 ppm2      4.461 CV     1
 ASSI !  919!
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HD1 ))
      3.500     3.500     2.500 peak   919 spectrum    1 weight  0.10000E+01 volume  0.22984E-03 ppm1      9.044 ppm2      3.784 CV     1
 ASSI !  920!
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HG1 ))
      3.100     3.100     2.900 peak   920 spectrum    1 weight  0.10000E+01 volume  0.43189E-03 ppm1      9.054 ppm2      2.009 CV     1
 ASSI !  921!
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HG2 ))
      3.000     3.000     3.000 peak   921 spectrum    1 weight  0.10000E+01 volume  0.56786E-03 ppm1      9.050 ppm2      1.903 CV     1
 ASSI !  922!
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.700     0.900     0.900 peak   922 spectrum    1 weight  0.10000E+01 volume  0.22101E-02 ppm1      9.049 ppm2      4.082 CV     1
 ASSI !  925!
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 80   and name HD1#)
      4.400     2.400     1.600 peak   925 spectrum    1 weight  0.10000E+01 volume  0.12701E-02 ppm1      9.048 ppm2      0.710 CV     1
 ASSI !  927!
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 80   and name HG  ))
      3.600     1.600     1.600 peak   927 spectrum    1 weight  0.10000E+01 volume  0.16622E-02 ppm1      9.048 ppm2      1.808 CV     1
 ASSI !  929!
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      4.300     2.300     1.700 peak   929 spectrum    1 weight  0.10000E+01 volume  0.87865E-03 ppm1      9.050 ppm2      8.411 CV     1
 ASSI !  930!
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HA  ))
      2.100     0.600     0.600 peak   930 spectrum    1 weight  0.10000E+01 volume  0.99784E-02 ppm1      8.413 ppm2      4.087 CV     1
 ASSI !  931!
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB1 ))
      4.200     2.200     1.800 peak   931 spectrum    1 weight  0.10000E+01 volume  0.11484E-02 ppm1      8.410 ppm2      1.540 CV     1
 ASSI !  932!
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HB2 ))
      3.000     1.100     1.100 peak   932 spectrum    1 weight  0.10000E+01 volume  0.11075E-02 ppm1      8.410 ppm2      1.405 CV     1
 ASSI !  933!
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 80   and name HD1#)
      4.200     2.200     1.800 peak   933 spectrum    1 weight  0.10000E+01 volume  0.11574E-02 ppm1      8.412 ppm2      0.713 CV     1
 ASSI !  934!
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 80   and name HD2#)
      3.400     1.400     1.400 peak   934 spectrum    1 weight  0.10000E+01 volume  0.51258E-02 ppm1      8.412 ppm2      0.917 CV     1
 ASSI !  935!
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 80   and name HG  ))
      3.000     1.100     1.100 peak   935 spectrum    1 weight  0.10000E+01 volume  0.23547E-02 ppm1      8.413 ppm2      1.814 CV     1
 ASSI !  937!
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      2.700     0.900     0.900 peak   937 spectrum    1 weight  0.10000E+01 volume  0.35412E-02 ppm1      8.411 ppm2      4.185 CV     1
 ASSI !  941!
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      4.300     2.300     1.700 peak   941 spectrum    1 weight  0.10000E+01 volume  0.68976E-03 ppm1      8.411 ppm2      8.510 CV     1
 ASSI !  942!
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      5.400     3.600     0.600 peak   942 spectrum    1 weight  0.10000E+01 volume  0.30422E-03 ppm1      8.410 ppm2      2.176 CV     1
 ASSI !  943!
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.700     1.700     1.700 peak   943 spectrum    1 weight  0.10000E+01 volume  0.59046E-03 ppm1      8.410 ppm2      1.727 CV     1
 ASSI !  944!
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 84   and name HD1 ))
      4.800     2.900     1.200 peak   944 spectrum    1 weight  0.10000E+01 volume  0.53451E-03 ppm1      8.416 ppm2      3.442 CV     1
 ASSI !  946!
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 84   and name HG1 ))
      3.800     1.800     1.800 peak   946 spectrum    1 weight  0.10000E+01 volume  0.40777E-03 ppm1      8.413 ppm2      1.931 CV     1
 ASSI !  947!
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 84   and name HG2 ))
      5.000     3.100     1.000 peak   947 spectrum    1 weight  0.10000E+01 volume  0.48725E-03 ppm1      8.413 ppm2      1.640 CV     1
 ASSI !  948!
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      4.100     2.100     1.900 peak   948 spectrum    1 weight  0.10000E+01 volume  0.37825E-03 ppm1      8.414 ppm2      7.798 CV     1
 ASSI !  949!
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 85   and name HG1 ) or ( segid "    " and resid 85  and name HD1 ) or ( segid "    " and resid 85  and name HD2 ))
      4.700     2.700     1.300 peak   949 spectrum    1 weight  0.10000E+01 volume  0.47346E-03 ppm1      8.743 ppm2      1.658 CV     1
 ASSI !  952!
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      4.400     2.400     1.600 peak   952 spectrum    1 weight  0.10000E+01 volume  0.10345E-02 ppm1      8.745 ppm2      8.420 CV     1
 ASSI !  959!
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      4.000     2.000     2.000 peak   959 spectrum    1 weight  0.10000E+01 volume  0.11077E-02 ppm1      8.511 ppm2      4.180 CV     1
 ASSI !  960!
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 81   and name HB# )
      2.500     0.800     0.800 peak   960 spectrum    1 weight  0.10000E+01 volume  0.57210E-02 ppm1      8.511 ppm2      1.488 CV     1
 ASSI !  962!
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      2.900     1.100     1.100 peak   962 spectrum    1 weight  0.10000E+01 volume  0.18647E-02 ppm1      8.510 ppm2      3.807 CV     1
 ASSI !  963!
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82  and name HB1 ) or ( segid "    " and resid 82  and name HB2 ))
      2.800     1.000     1.000 peak   963 spectrum    1 weight  0.10000E+01 volume  0.47570E-02 ppm1      8.513 ppm2      2.083 CV     1
 ASSI !  964!
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82  and name HG2 ) or ( segid "    " and resid 82  and name HG1 ))
      3.700     1.700     1.700 peak   964 spectrum    1 weight  0.10000E+01 volume  0.13043E-02 ppm1      8.512 ppm2      2.388 CV     1
 ASSI !  965!
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.500     0.800     0.800 peak   965 spectrum    1 weight  0.10000E+01 volume  0.43359E-02 ppm1      8.509 ppm2      8.733 CV     1
 ASSI !  966!
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      2.600     0.800     0.800 peak   966 spectrum    1 weight  0.10000E+01 volume  0.51283E-02 ppm1      8.510 ppm2      4.430 CV     1
 ASSI !  967!
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      3.000     1.100     1.100 peak   967 spectrum    1 weight  0.10000E+01 volume  0.30042E-02 ppm1      8.513 ppm2      2.833 CV     1
 ASSI !  968!
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      2.500     0.800     0.800 peak   968 spectrum    1 weight  0.10000E+01 volume  0.43488E-02 ppm1      8.513 ppm2      2.685 CV     1
 ASSI !  970!
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      6.000     4.400     0.000 peak   970 spectrum    1 weight  0.10000E+01 volume  0.28587E-03 ppm1      8.510 ppm2      2.184 CV     1
 ASSI !  971!
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      4.600     2.600     1.400 peak   971 spectrum    1 weight  0.10000E+01 volume  0.48717E-03 ppm1      8.512 ppm2      1.731 CV     1
 ASSI !  972!
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HG1 ))
      4.300     2.300     1.700 peak   972 spectrum    1 weight  0.10000E+01 volume  0.64989E-03 ppm1      8.511 ppm2      1.938 CV     1
 ASSI !  973!
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HG2 ))
      5.600     3.900     0.400 peak   973 spectrum    1 weight  0.10000E+01 volume  0.46956E-03 ppm1      8.514 ppm2      1.655 CV     1
 ASSI !  974!
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 84   and name HN  ))
      2.200     0.600     0.600 peak   974 spectrum    1 weight  0.10000E+01 volume  0.59918E-02 ppm1      8.512 ppm2      7.794 CV     1
 ASSI !  975!
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      3.500     1.600     1.600 peak   975 spectrum    1 weight  0.10000E+01 volume  0.94402E-03 ppm1      8.509 ppm2      7.335 CV     1
 ASSI !  976!
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 38   and name HD1#)
      5.200     3.400     0.800 peak   976 spectrum    1 weight  0.10000E+01 volume  0.51483E-03 ppm1      7.800 ppm2      0.840 CV     1
 ASSI !  977!
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 80   and name HD1#)
      4.400     2.500     1.600 peak   977 spectrum    1 weight  0.10000E+01 volume  0.75999E-03 ppm1      7.802 ppm2      0.709 CV     1
 ASSI !  978!
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 80   and name HD2#)
      4.800     2.900     1.200 peak   978 spectrum    1 weight  0.10000E+01 volume  0.69370E-03 ppm1      7.802 ppm2      0.918 CV     1
 ASSI !  979!
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 80   and name HG  ))
      3.400     1.500     1.500 peak   979 spectrum    1 weight  0.10000E+01 volume  0.15066E-02 ppm1      7.801 ppm2      1.823 CV     1
 ASSI !  980!
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.300     3.300     2.700 peak   980 spectrum    1 weight  0.10000E+01 volume  0.32117E-03 ppm1      7.806 ppm2      4.195 CV     1
 ASSI !  981!
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 81   and name HB# )
      2.800     1.000     1.000 peak   981 spectrum    1 weight  0.10000E+01 volume  0.35167E-02 ppm1      7.801 ppm2      1.495 CV     1
 ASSI !  983!
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.500     1.600     1.600 peak   983 spectrum    1 weight  0.10000E+01 volume  0.10270E-02 ppm1      7.803 ppm2      3.815 CV     1
 ASSI !  984!
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      4.500     2.500     1.500 peak   984 spectrum    1 weight  0.10000E+01 volume  0.64885E-03 ppm1      7.799 ppm2      8.739 CV     1
 ASSI !  986!
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB1 ))
      3.600     1.600     1.600 peak   986 spectrum    1 weight  0.10000E+01 volume  0.65001E-03 ppm1      7.798 ppm2      2.837 CV     1
 ASSI !  987!
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HB2 ))
      3.700     1.700     1.700 peak   987 spectrum    1 weight  0.10000E+01 volume  0.64511E-03 ppm1      7.800 ppm2      2.681 CV     1
 ASSI !  989!
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      2.600     0.800     0.800 peak   989 spectrum    1 weight  0.10000E+01 volume  0.27167E-02 ppm1      7.804 ppm2      4.532 CV     1
 ASSI !  990!
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      3.500     1.500     1.500 peak   990 spectrum    1 weight  0.10000E+01 volume  0.19674E-02 ppm1      7.802 ppm2      2.188 CV     1
 ASSI !  991!
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.300     0.700     0.700 peak   991 spectrum    1 weight  0.10000E+01 volume  0.33453E-02 ppm1      7.802 ppm2      1.731 CV     1
 ASSI !  992!
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HD1 ))
      4.900     3.000     1.100 peak   992 spectrum    1 weight  0.10000E+01 volume  0.69067E-03 ppm1      7.802 ppm2      3.442 CV     1
 ASSI !  993!
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HD2 ))
      4.400     2.400     1.600 peak   993 spectrum    1 weight  0.10000E+01 volume  0.53630E-03 ppm1      7.804 ppm2      3.183 CV     1
 ASSI !  995!
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG2 ))
      3.400     1.400     1.400 peak   995 spectrum    1 weight  0.10000E+01 volume  0.30255E-02 ppm1      7.802 ppm2      1.644 CV     1
 ASSI !  997!
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      4.300     2.300     1.700 peak   997 spectrum    1 weight  0.10000E+01 volume  0.66575E-03 ppm1      7.798 ppm2      3.551 CV     1
 ASSI !  998!
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HG2 ))
      5.100     3.200     0.900 peak   998 spectrum    1 weight  0.10000E+01 volume  0.50478E-03 ppm1      7.807 ppm2      1.325 CV     1
 ASSI !  999!
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.000     0.500     0.500 peak   999 spectrum    1 weight  0.10000E+01 volume  0.92163E-02 ppm1      7.802 ppm2      7.333 CV     1
 ASSI ! 1000!
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      4.500     2.600     1.500 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.39905E-03 ppm1      7.800 ppm2      8.339 CV     1
 ASSI ! 1001!
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 87   and name HB  ))
      4.400     2.400     1.600 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.69831E-03 ppm1      7.802 ppm2      2.068 CV     1
 ASSI ! 1002!
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 87   and name HG1#)
      4.400     2.400     1.600 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.10020E-02 ppm1      7.800 ppm2      1.151 CV     1
 ASSI ! 1003!
   (( segid "    " and resid 84   and name HN  ))
   (  segid "    " and resid 87   and name HG2#)
      5.500     3.700     0.500 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.32494E-03 ppm1      7.796 ppm2      0.997 CV     1
 ASSI ! 1005!
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 38   and name HD1#)
      5.100     3.300     0.900 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.43434E-03 ppm1      7.338 ppm2      0.836 CV     1
 ASSI ! 1006!
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 39   and name HA1 ))
      5.400     3.700     0.600 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.29065E-03 ppm1      7.340 ppm2      3.958 CV     1
 ASSI ! 1007!
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      5.100     3.200     0.900 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.40684E-03 ppm1      7.337 ppm2      3.758 CV     1
 ASSI ! 1008!
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      4.400     2.400     1.600 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.52467E-03 ppm1      7.340 ppm2      8.752 CV     1
 ASSI ! 1009!
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 80   and name HD1#)
      3.500     1.500     1.500 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.14478E-02 ppm1      7.339 ppm2      0.704 CV     1
 ASSI ! 1010!
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 80   and name HD2#)
      4.500     2.500     1.500 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.71331E-03 ppm1      7.340 ppm2      0.912 CV     1
 ASSI ! 1012!
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 82   and name HA  ))
      3.200     1.300     1.300 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.16013E-02 ppm1      7.336 ppm2      3.808 CV     1
 ASSI ! 1013!
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 83   and name HA  ))
      3.600     1.600     1.600 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.75239E-03 ppm1      7.337 ppm2      4.429 CV     1
 ASSI ! 1016!
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB1 ))
      3.700     1.800     1.800 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.93853E-03 ppm1      7.337 ppm2      2.179 CV     1
 ASSI ! 1017!
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.800     1.000     1.000 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.18541E-02 ppm1      7.336 ppm2      1.725 CV     1
 ASSI ! 1018!
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 84   and name HG1 ))
      3.900     1.900     1.900 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.14387E-02 ppm1      7.335 ppm2      1.932 CV     1
 ASSI ! 1020!
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      2.500     0.800     0.800 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.33970E-02 ppm1      7.336 ppm2      3.550 CV     1
 ASSI ! 1021!
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85  and name HB1 ) or ( segid "    " and resid 85  and name HB2 ))
      3.300     1.300     1.300 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.46516E-02 ppm1      7.335 ppm2      1.854 CV     1
 ASSI ! 1022!
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85  and name HD2 ) or ( segid "    " and resid 85  and name HD1 ))
      3.400     1.500     1.500 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.42798E-02 ppm1      7.336 ppm2      1.667 CV     1
 ASSI ! 1023!
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 85   and name HG1 ))
      2.200     0.600     0.600 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.53505E-02 ppm1      7.336 ppm2      1.646 CV     1
 ASSI ! 1026!
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HB1 ))
      5.200     3.400     0.800 peak  1026 spectrum    1 weight  0.10000E+01 volume  0.26810E-03 ppm1      7.334 ppm2      2.984 CV     1
 ASSI ! 1027!
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      4.900     3.000     1.100 peak  1027 spectrum    1 weight  0.10000E+01 volume  0.41366E-03 ppm1      7.337 ppm2      2.696 CV     1
 ASSI ! 1028!
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 86   and name HN  ))
      2.700     0.900     0.900 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.20413E-02 ppm1      7.337 ppm2      8.338 CV     1
 ASSI ! 1029!
   (( segid "    " and resid 85   and name HN  ))
   (  segid "    " and resid 87   and name HG1#)
      4.600     2.600     1.400 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.44929E-03 ppm1      7.339 ppm2      1.141 CV     1
 ASSI ! 1030!
   (( segid "    " and resid 85   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      4.300     2.300     1.700 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.54539E-03 ppm1      7.337 ppm2      6.983 CV     1
 ASSI ! 1035!
   (( segid "    " and resid 86   and name HD22))
   (( segid "    " and resid 86   and name HB1 ))
      4.400     2.400     1.600 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.76614E-03 ppm1      6.909 ppm2      2.998 CV     1
 ASSI ! 1037!
   (( segid "    " and resid 86   and name HD22))
   (( segid "    " and resid 86   and name HD21))
      1.700     0.300     0.500 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.25132E-01 ppm1      6.913 ppm2      7.586 CV     1
 ASSI ! 1038!
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      3.400     3.400     2.600 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.25221E-03 ppm1      8.354 ppm2      3.760 CV     1
 ASSI ! 1039!
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      4.400     2.500     1.600 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.37635E-03 ppm1      8.350 ppm2      8.756 CV     1
 ASSI ! 1040!
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      4.100     2.100     1.900 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.48978E-03 ppm1      8.345 ppm2      4.528 CV     1
 ASSI ! 1042!
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.500     1.500     1.500 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.65213E-03 ppm1      8.348 ppm2      3.547 CV     1
 ASSI ! 1043!
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85  and name HB1 ) or ( segid "    " and resid 85  and name HB2 ))
      3.700     1.700     1.700 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.11925E-02 ppm1      8.348 ppm2      1.854 CV     1
 ASSI ! 1044!
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HG1 ))
      4.200     2.200     1.800 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.77070E-03 ppm1      8.346 ppm2      1.648 CV     1
 ASSI ! 1045!
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 85   and name HG2 ))
      3.300     3.300     2.700 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.30622E-03 ppm1      8.346 ppm2      1.317 CV     1
 ASSI ! 1050!
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HD21))
      3.700     1.700     1.700 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.57347E-03 ppm1      8.351 ppm2      7.586 CV     1
 ASSI ! 1051!
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 86   and name HD22))
      4.500     2.500     1.500 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.43297E-03 ppm1      8.348 ppm2      6.905 CV     1
 ASSI ! 1053!
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 87   and name HB  ))
      4.400     2.400     1.600 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.53310E-03 ppm1      8.346 ppm2      2.067 CV     1
 ASSI ! 1054!
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 87   and name HG1#)
      4.200     2.200     1.800 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.12780E-02 ppm1      8.348 ppm2      1.145 CV     1
 ASSI ! 1055!
   (( segid "    " and resid 86   and name HN  ))
   (  segid "    " and resid 87   and name HG2#)
      6.000     4.900     0.000 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.20954E-03 ppm1      8.343 ppm2      1.004 CV     1
 ASSI ! 1056!
   (( segid "    " and resid 86   and name HN  ))
   (( segid "    " and resid 87   and name HN  ))
      2.400     0.700     0.700 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.37299E-02 ppm1      8.349 ppm2      6.979 CV     1
 ASSI ! 1057!
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      4.500     2.500     1.500 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.42105E-03 ppm1      6.989 ppm2      5.245 CV     1
 ASSI ! 1058!
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 38   and name HB1 ))
      4.900     3.000     1.100 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.12191E-02 ppm1      6.983 ppm2      2.153 CV     1
 ASSI ! 1059!
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 38   and name HD1#)
      5.300     3.500     0.700 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.90830E-03 ppm1      6.985 ppm2      0.846 CV     1
 ASSI ! 1062!
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 84   and name HA  ))
      3.400     1.500     1.500 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.97625E-03 ppm1      6.986 ppm2      4.521 CV     1
 ASSI ! 1063!
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
      3.600     1.600     1.600 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.58090E-03 ppm1      6.985 ppm2      3.550 CV     1
 ASSI ! 1065!
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HA  ))
      2.800     1.000     1.000 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.26245E-02 ppm1      6.981 ppm2      4.889 CV     1
 ASSI ! 1066!
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB1 ))
      4.300     2.300     1.700 peak  1066 spectrum    1 weight  0.10000E+01 volume  0.60798E-03 ppm1      6.989 ppm2      3.007 CV     1
 ASSI ! 1067!
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 86   and name HB2 ))
      4.100     2.100     1.900 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.76319E-03 ppm1      6.987 ppm2      2.712 CV     1
 ASSI ! 1069!
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.600     0.900     0.900 peak  1069 spectrum    1 weight  0.10000E+01 volume  0.33628E-02 ppm1      6.988 ppm2      3.750 CV     1
 ASSI ! 1070!
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 87   and name HB  ))
      2.100     0.500     0.500 peak  1070 spectrum    1 weight  0.10000E+01 volume  0.81307E-02 ppm1      6.987 ppm2      2.067 CV     1
 ASSI ! 1072!
   (( segid "    " and resid 87   and name HN  ))
   (  segid "    " and resid 87   and name HG2#)
      3.500     1.500     1.500 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.36511E-02 ppm1      6.987 ppm2      0.996 CV     1
 ASSI ! 1074!
   (( segid "    " and resid 87   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      4.000     2.000     2.000 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.14055E-02 ppm1      6.983 ppm2      8.772 CV     1
 ASSI ! 1077!
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.900     3.000     1.100 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.35640E-03 ppm1      8.779 ppm2      9.068 CV     1
 ASSI ! 1078!
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 87   and name HA  ))
      2.000     0.500     0.500 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.14759E-01 ppm1      8.780 ppm2      3.750 CV     1
 ASSI ! 1080!
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 87   and name HG1#)
      3.000     1.100     1.100 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.34672E-02 ppm1      8.780 ppm2      1.152 CV     1
 ASSI ! 1081!
   (( segid "    " and resid 88   and name HN  ))
   (  segid "    " and resid 87   and name HG2#)
      2.400     0.700     0.700 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.49460E-02 ppm1      8.781 ppm2      0.994 CV     1
 ASSI ! 1083!
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      2.800     1.000     1.000 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.23271E-02 ppm1      8.780 ppm2      4.339 CV     1
 ASSI ! 1084!
   (( segid "    " and resid 88   and name HN  ))
   (( segid "    " and resid 88  and name HB1 ) or ( segid "    " and resid 88  and name HB2 ))
      2.200     0.600     0.600 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.86681E-02 ppm1      8.778 ppm2      1.973 CV     1
 ASSI ! 1089!
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      4.100     2.100     1.900 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.63942E-03 ppm1      8.232 ppm2      4.437 CV     1
 ASSI ! 1093!
   (( segid "    " and resid 89   and name HN  ))
   (  segid "    " and resid 87   and name HG2#)
      3.100     3.100     2.900 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.43114E-03 ppm1      8.234 ppm2      0.998 CV     1
 ASSI ! 1094!
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HA  ))
      2.300     0.600     0.600 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.66928E-02 ppm1      8.232 ppm2      4.331 CV     1
 ASSI ! 1098!
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 88   and name HN  ))
      4.800     2.800     1.200 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.39334E-03 ppm1      8.228 ppm2      8.773 CV     1
 ASSI ! 1099!
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      2.500     0.800     0.800 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.36006E-02 ppm1      8.232 ppm2      4.295 CV     1
 ASSI ! 1104!
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 89   and name HG  ))
      2.500     0.800     0.800 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.40147E-02 ppm1      8.229 ppm2      1.311 CV     1
 ASSI ! 1107!
   (( segid "    " and resid 89   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      5.100     3.300     0.900 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.33446E-03 ppm1      8.231 ppm2      7.218 CV     1
 ASSI ! 1108!
   (( segid "    " and resid 90   and name HN  ))
   (  segid "    " and resid 89   and name HD1#)
      5.200     3.400     0.800 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.41406E-03 ppm1      7.774 ppm2      0.650 CV     1
 ASSI ! 1111!
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HB2 ))
      3.300     1.400     1.400 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.29485E-02 ppm1      7.777 ppm2      1.546 CV     1
 ASSI ! 1113!
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HG  ))
      4.900     3.000     1.100 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.43259E-03 ppm1      7.775 ppm2      1.317 CV     1
 ASSI ! 1114!
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 89   and name HN  ))
      4.400     2.400     1.600 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.42113E-03 ppm1      7.786 ppm2      8.234 CV     1
 ASSI ! 1117!
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 90   and name HB2 ))
      2.200     0.600     0.600 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.29485E-02 ppm1      7.777 ppm2      1.532 CV     1
 ASSI ! 1122!
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HA2 ))
      5.000     3.100     1.000 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.27366E-03 ppm1      7.778 ppm2      3.894 CV     1
 ASSI ! 1123!
   (( segid "    " and resid 90   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      2.600     0.900     0.900 peak  1123 spectrum    1 weight  0.10000E+01 volume  0.18982E-02 ppm1      7.779 ppm2      7.224 CV     1
 ASSI ! 1126!
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 68   and name HD21))
      4.600     2.700     1.400 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.37804E-03 ppm1      7.228 ppm2      7.841 CV     1
 ASSI ! 1127!
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 68   and name HD22))
      4.900     3.000     1.100 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.80468E-03 ppm1      7.225 ppm2      7.153 CV     1
 ASSI ! 1128!
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 89   and name HA  ))
      4.200     2.200     1.800 peak  1128 spectrum    1 weight  0.10000E+01 volume  0.56674E-03 ppm1      7.227 ppm2      4.297 CV     1
 ASSI ! 1131!
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 89   and name HD1#)
      4.700     2.800     1.300 peak  1131 spectrum    1 weight  0.10000E+01 volume  0.51807E-03 ppm1      7.223 ppm2      0.636 CV     1
 ASSI ! 1135!
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HB1 ))
      4.000     2.000     2.000 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.60587E-03 ppm1      7.221 ppm2      1.669 CV     1
 ASSI ! 1136!
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HB2 ))
      2.800     1.000     1.000 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.20523E-02 ppm1      7.223 ppm2      1.535 CV     1
 ASSI ! 1137!
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 90   and name HD1#)
      3.200     3.200     2.800 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.41976E-03 ppm1      7.223 ppm2      0.958 CV     1
 ASSI ! 1138!
   (( segid "    " and resid 91   and name HN  ))
   (  segid "    " and resid 90   and name HD2#)
      2.500     2.500     3.500 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.15523E-02 ppm1      7.225 ppm2      1.044 CV     1
 ASSI ! 1139!
   (( segid "    " and resid 91   and name HN  ))
   (( segid "    " and resid 90   and name HG  ))
      4.600     2.700     1.400 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.52043E-03 ppm1      7.224 ppm2      1.861 CV     1
 ASSI ! 1147!
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      5.100     3.200     0.900 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.33691E-03 ppm1      8.774 ppm2      5.209 CV     1
 ASSI ! 1148!
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 67  and name HB2 ) or ( segid "    " and resid 67  and name HB1 ))
      2.700     0.900     0.900 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.24022E-02 ppm1      8.771 ppm2      2.020 CV     1
 ASSI ! 1150!
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      5.000     3.100     1.000 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.39993E-03 ppm1      8.770 ppm2      2.568 CV     1
 ASSI ! 1151!
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      3.400     1.400     1.400 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.11573E-02 ppm1      8.771 ppm2      8.571 CV     1
 ASSI ! 1152!
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 68   and name HD21))
      4.700     2.800     1.300 peak  1152 spectrum    1 weight  0.10000E+01 volume  0.42869E-03 ppm1      8.773 ppm2      7.847 CV     1
 ASSI ! 1153!
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA2 ))
      2.600     0.900     0.900 peak  1153 spectrum    1 weight  0.10000E+01 volume  0.26730E-02 ppm1      8.771 ppm2      3.901 CV     1
 ASSI ! 1154!
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HN  ))
      4.000     2.000     2.000 peak  1154 spectrum    1 weight  0.10000E+01 volume  0.80738E-03 ppm1      8.771 ppm2      7.218 CV     1
 ASSI ! 1155!
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB1 ))
      2.500     0.800     0.800 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.68635E-02 ppm1      8.775 ppm2      1.580 CV     1
 ASSI ! 1156!
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      2.100     0.600     0.600 peak  1156 spectrum    1 weight  0.10000E+01 volume  0.45918E-02 ppm1      8.773 ppm2      1.469 CV     1
 ASSI ! 1157!
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92  and name HD1 ) or ( segid "    " and resid 92  and name HD2 ))
      2.900     1.100     1.100 peak  1157 spectrum    1 weight  0.10000E+01 volume  0.68635E-02 ppm1      8.771 ppm2      1.568 CV     1
 ASSI ! 1158!
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92  and name HE2 ) or ( segid "    " and resid 92  and name HE1 ))
      5.100     3.200     0.900 peak  1158 spectrum    1 weight  0.10000E+01 volume  0.43837E-03 ppm1      8.772 ppm2      2.989 CV     1
 ASSI ! 1159!
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 92   and name HG1 ))
      3.300     1.400     1.400 peak  1159 spectrum    1 weight  0.10000E+01 volume  0.45918E-02 ppm1      8.770 ppm2      1.459 CV     1
 ASSI ! 1161!
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      4.700     2.700     1.300 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.48272E-03 ppm1      8.770 ppm2      9.186 CV     1
 ASSI ! 1162!
   (( segid "    " and resid 92   and name HN  ))
   (  segid "    " and resid 120  and name HB# )
      4.800     2.800     1.200 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.36939E-03 ppm1      8.776 ppm2      1.262 CV     1
 ASSI ! 1163!
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 41   and name HD1#)
      4.300     2.300     1.700 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.63971E-03 ppm1      9.176 ppm2      0.819 CV     1
 ASSI ! 1164!
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 41   and name HD2#)
      4.800     2.900     1.200 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.58377E-03 ppm1      9.184 ppm2      0.921 CV     1
 ASSI ! 1165!
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      4.800     2.800     1.200 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.32609E-03 ppm1      9.189 ppm2      5.199 CV     1
 ASSI ! 1166!
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 66   and name HG2#)
      4.100     2.100     1.900 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.76659E-03 ppm1      9.187 ppm2      1.048 CV     1
 ASSI ! 1167!
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 89   and name HD1#)
      4.100     2.100     1.900 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.43849E-03 ppm1      9.185 ppm2      0.646 CV     1
 ASSI ! 1168!
   (( segid "    " and resid 93   and name HN  ))
   (  segid "    " and resid 89   and name HD2#)
      3.400     3.400     2.600 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.26930E-03 ppm1      9.191 ppm2      0.220 CV     1
 ASSI ! 1169!
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HA  ))
      2.200     0.600     0.600 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.69142E-02 ppm1      9.188 ppm2      4.150 CV     1
 ASSI ! 1170!
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HB1 ))
      3.100     1.200     1.200 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.19360E-02 ppm1      9.189 ppm2      1.577 CV     1
 ASSI ! 1171!
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      3.900     1.900     1.900 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.13796E-02 ppm1      9.185 ppm2      1.468 CV     1
 ASSI ! 1173!
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      2.800     1.000     1.000 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.13396E-02 ppm1      9.186 ppm2      3.833 CV     1
 ASSI ! 1174!
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HB1 ))
      2.700     0.900     0.900 peak  1174 spectrum    1 weight  0.10000E+01 volume  0.22017E-02 ppm1      9.187 ppm2      2.075 CV     1
 ASSI ! 1175!
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
      2.400     0.700     0.700 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.28184E-02 ppm1      9.189 ppm2      1.906 CV     1
 ASSI ! 1176!
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 93   and name HG2 ) or ( segid "    " and resid 93  and name HG1 ))
      4.200     2.200     1.800 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.98069E-03 ppm1      9.187 ppm2      2.430 CV     1
 ASSI ! 1178!
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      4.200     2.200     1.800 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.51749E-03 ppm1      9.186 ppm2      9.418 CV     1
 ASSI ! 1179!
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 113  and name HD1 ))
      5.300     3.500     0.700 peak  1179 spectrum    1 weight  0.10000E+01 volume  0.55781E-03 ppm1      9.186 ppm2      4.011 CV     1
 ASSI ! 1180!
   (( segid "    " and resid 93   and name HN  ))
   (( segid "    " and resid 113  and name HD2 ))
      4.300     2.300     1.700 peak  1180 spectrum    1 weight  0.10000E+01 volume  0.33203E-03 ppm1      9.186 ppm2      3.624 CV     1
 ASSI ! 1181!
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      4.400     2.400     1.600 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.25234E-03 ppm1      9.427 ppm2      9.132 CV     1
 ASSI ! 1183!
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 66   and name HB  ))
      4.900     3.000     1.100 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.36563E-03 ppm1      9.418 ppm2      4.166 CV     1
 ASSI ! 1188!
   (( segid "    " and resid 94   and name HN  ))
   (( segid "    " and resid 93   and name HB2 ))
      4.600     2.700     1.400 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.43380E-03 ppm1      9.423 ppm2      1.890 CV     1
 ASSI ! 1194!
   (( segid "    " and resid 94   and name HN  ))
   (  segid "    " and resid 94   and name HD# )
      5.300     3.500     0.700 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.26403E-03 ppm1      9.421 ppm2      6.922 CV     1
 ASSI ! 1198!
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 64   and name HG2#)
      4.000     2.000     2.000 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.56940E-03 ppm1      7.291 ppm2      0.678 CV     1
 ASSI ! 1199!
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      4.500     2.600     1.500 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.37808E-03 ppm1      7.291 ppm2      5.527 CV     1
 ASSI ! 1200!
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 65   and name HB1 ))
      3.700     1.700     1.700 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.17696E-02 ppm1      7.291 ppm2      2.168 CV     1
 ASSI ! 1201!
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 65   and name HB2 ))
      3.000     1.100     1.100 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.10812E-02 ppm1      7.291 ppm2      1.679 CV     1
 ASSI ! 1202!
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 65   and name HD1#)
      4.200     2.200     1.800 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.83309E-03 ppm1      7.290 ppm2      1.145 CV     1
 ASSI ! 1203!
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 65   and name HG  ))
      4.200     2.200     1.800 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.73935E-03 ppm1      7.294 ppm2      1.872 CV     1
 ASSI ! 1205!
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 66   and name HA  ))
      4.200     2.200     1.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.74284E-03 ppm1      7.295 ppm2      5.215 CV     1
 ASSI ! 1206!
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 93   and name HA  ))
      4.000     2.000     2.000 peak  1206 spectrum    1 weight  0.10000E+01 volume  0.79110E-03 ppm1      7.290 ppm2      3.836 CV     1
 ASSI ! 1207!
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 93   and name HG2 ) or ( segid "    " and resid 93  and name HG1 ))
      3.400     1.400     1.400 peak  1207 spectrum    1 weight  0.10000E+01 volume  0.10145E-02 ppm1      7.288 ppm2      2.437 CV     1
 ASSI ! 1208!
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HA  ))
      3.800     1.800     1.800 peak  1208 spectrum    1 weight  0.10000E+01 volume  0.71053E-03 ppm1      7.286 ppm2      4.758 CV     1
 ASSI ! 1209!
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      2.700     0.900     0.900 peak  1209 spectrum    1 weight  0.10000E+01 volume  0.13198E-02 ppm1      7.290 ppm2      2.906 CV     1
 ASSI ! 1210!
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      3.700     1.700     1.700 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.19892E-02 ppm1      7.290 ppm2      2.303 CV     1
 ASSI ! 1211!
   (( segid "    " and resid 95   and name HN  ))
   (  segid "    " and resid 94   and name HE# )
      4.600     2.700     1.400 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.55270E-03 ppm1      7.287 ppm2      6.795 CV     1
 ASSI ! 1212!
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 94   and name HN  ))
      2.500     0.800     0.800 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.29507E-02 ppm1      7.290 ppm2      9.418 CV     1
 ASSI ! 1213!
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.000     1.100     1.100 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.12073E-02 ppm1      7.289 ppm2      4.693 CV     1
 ASSI ! 1214!
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      3.200     1.300     1.300 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.14066E-02 ppm1      7.291 ppm2      0.951 CV     1
 ASSI ! 1215!
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HB2 ))
      3.400     1.400     1.400 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.79122E-03 ppm1      7.291 ppm2      0.842 CV     1
 ASSI ! 1216!
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HD2 ))
      4.800     2.900     1.200 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.49381E-03 ppm1      7.290 ppm2      1.040 CV     1
 ASSI ! 1217!
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HG1 ))
      4.200     2.200     1.800 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.45760E-03 ppm1      7.291 ppm2      0.643 CV     1
 ASSI ! 1218!
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 95   and name HG2 ))
      4.100     2.100     1.900 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.58414E-03 ppm1      7.286 ppm2      0.067 CV     1
 ASSI ! 1220!
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HG1 ))
      4.200     2.200     1.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.33722E-03 ppm1      7.298 ppm2      3.307 CV     1
 ASSI ! 1221!
   (( segid "    " and resid 95   and name HN  ))
   (( segid "    " and resid 96   and name HN  ))
      4.400     2.400     1.600 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.46428E-03 ppm1      7.284 ppm2      8.732 CV     1
 ASSI ! 1224!
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 93   and name HE# )
      3.600     1.600     1.600 peak  1224 spectrum    1 weight  0.10000E+01 volume  0.10201E-02 ppm1      8.727 ppm2      1.876 CV     1
 ASSI ! 1225!
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 93   and name HG2 ) or ( segid "    " and resid 93  and name HG1 ))
      4.600     2.700     1.400 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.26707E-03 ppm1      8.726 ppm2      2.442 CV     1
 ASSI ! 1226!
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      2.200     0.600     0.600 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.70434E-02 ppm1      8.724 ppm2      4.689 CV     1
 ASSI ! 1227!
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      3.400     1.500     1.500 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.15345E-02 ppm1      8.725 ppm2      0.946 CV     1
 ASSI ! 1228!
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HB2 ))
      3.600     1.600     1.600 peak  1228 spectrum    1 weight  0.10000E+01 volume  0.21411E-02 ppm1      8.724 ppm2      0.832 CV     1
 ASSI ! 1229!
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HD1 ))
      4.600     2.700     1.400 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.33346E-03 ppm1      8.724 ppm2      1.212 CV     1
 ASSI ! 1230!
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HD2 ))
      4.700     2.800     1.300 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.39252E-03 ppm1      8.725 ppm2      1.042 CV     1
 ASSI ! 1231!
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 95   and name HG2 ))
      4.300     2.400     1.700 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.36856E-03 ppm1      8.719 ppm2      0.063 CV     1
 ASSI ! 1233!
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      3.000     1.100     1.100 peak  1233 spectrum    1 weight  0.10000E+01 volume  0.13591E-02 ppm1      8.725 ppm2      5.143 CV     1
 ASSI ! 1234!
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HB  ))
      2.700     0.900     0.900 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.24605E-02 ppm1      8.723 ppm2      3.668 CV     1
 ASSI ! 1235!
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 96   and name HG1 ))
      3.000     1.100     1.100 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.25807E-02 ppm1      8.724 ppm2      3.304 CV     1
 ASSI ! 1236!
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 96   and name HG2#)
      3.700     1.700     1.700 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.16072E-02 ppm1      8.723 ppm2      0.643 CV     1
 ASSI ! 1238!
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 97   and name HN  ))
      4.200     2.200     1.800 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.48920E-03 ppm1      8.726 ppm2      8.964 CV     1
 ASSI ! 1239!
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 109 and name HG1#) or ( segid "    " and resid 109 and name HG2#))
      3.000     1.100     1.100 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.22643E-02 ppm1      8.723 ppm2      0.315 CV     1
 ASSI ! 1240!
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 110  and name HB  ))
      3.400     1.400     1.400 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.97554E-03 ppm1      8.726 ppm2      1.448 CV     1
 ASSI ! 1241!
   (( segid "    " and resid 96   and name HN  ))
   (  segid "    " and resid 110  and name HD1#)
      4.500     2.600     1.500 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.65857E-03 ppm1      8.725 ppm2      1.017 CV     1
 ASSI ! 1242!
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      2.800     1.000     1.000 peak  1242 spectrum    1 weight  0.10000E+01 volume  0.18551E-02 ppm1      8.724 ppm2      8.617 CV     1
 ASSI ! 1243!
   (( segid "    " and resid 96   and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      5.000     3.100     1.000 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.49045E-03 ppm1      8.721 ppm2      7.988 CV     1
 ASSI ! 1244!
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.500     1.500     1.500 peak  1244 spectrum    1 weight  0.10000E+01 volume  0.98684E-03 ppm1      8.968 ppm2      0.864 CV     1
 ASSI ! 1245!
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 63   and name HB  ))
      4.600     2.600     1.400 peak  1245 spectrum    1 weight  0.10000E+01 volume  0.69599E-03 ppm1      8.969 ppm2      1.779 CV     1
 ASSI ! 1246!
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 63   and name HG2#)
      3.200     1.300     1.300 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.35815E-03 ppm1      8.975 ppm2      0.249 CV     1
 ASSI ! 1249!
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HA  ))
      2.200     0.600     0.600 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.53069E-02 ppm1      8.970 ppm2      5.147 CV     1
 ASSI ! 1250!
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HB  ))
      4.600     2.700     1.400 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.31523E-03 ppm1      8.979 ppm2      3.683 CV     1
 ASSI ! 1251!
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 96   and name HG1 ))
      5.400     3.700     0.600 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.26639E-03 ppm1      8.976 ppm2      3.298 CV     1
 ASSI ! 1254!
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      3.000     1.100     1.100 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.11829E-02 ppm1      8.971 ppm2      5.035 CV     1
 ASSI ! 1255!
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 97   and name HB1 ))
      4.000     2.000     2.000 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.10723E-02 ppm1      8.971 ppm2      2.747 CV     1
 ASSI ! 1257!
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 97   and name HD# )
      3.300     1.400     1.400 peak  1257 spectrum    1 weight  0.10000E+01 volume  0.60263E-03 ppm1      8.970 ppm2      6.876 CV     1
 ASSI ! 1258!
   (( segid "    " and resid 97   and name HN  ))
   (  segid "    " and resid 97   and name HE# )
      5.500     3.800     0.500 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.25948E-03 ppm1      8.961 ppm2      6.417 CV     1
 ASSI ! 1260!
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      3.800     1.800     1.800 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.14969E-02 ppm1      8.970 ppm2      9.190 CV     1
 ASSI ! 1261!
   (( segid "    " and resid 97   and name HN  ))
   (( segid "    " and resid 109 and name HG1#) or ( segid "    " and resid 109 and name HG2#))
      4.800     2.900     1.200 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.33538E-03 ppm1      8.976 ppm2      0.315 CV     1
 ASSI ! 1262!
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      4.300     2.300     1.700 peak  1262 spectrum    1 weight  0.10000E+01 volume  0.30494E-03 ppm1      9.185 ppm2      8.331 CV     1
 ASSI ! 1263!
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 49   and name HD2#)
      5.400     3.600     0.600 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.27510E-03 ppm1      9.189 ppm2     -1.141 CV     1
 ASSI ! 1264!
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 96   and name HG2#)
      4.300     2.400     1.700 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.37600E-03 ppm1      9.183 ppm2      0.640 CV     1
 ASSI ! 1265!
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      2.300     0.700     0.700 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.51171E-02 ppm1      9.189 ppm2      5.032 CV     1
 ASSI ! 1266!
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 97   and name HE# )
      5.500     3.800     0.500 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.30214E-03 ppm1      9.186 ppm2      6.419 CV     1
 ASSI ! 1269!
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB1 ))
      3.500     1.500     1.500 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.21558E-02 ppm1      9.189 ppm2      2.763 CV     1
 ASSI ! 1270!
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      2.700     0.900     0.900 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.14812E-02 ppm1      9.188 ppm2      2.568 CV     1
 ASSI ! 1271!
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 98   and name HD# )
      2.800     1.000     1.000 peak  1271 spectrum    1 weight  0.10000E+01 volume  0.18106E-02 ppm1      9.190 ppm2      6.910 CV     1
 ASSI ! 1273!
   (( segid "    " and resid 98   and name HN  ))
   (  segid "    " and resid 99   and name HD# )
      3.700     1.800     1.800 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.85410E-03 ppm1      9.188 ppm2      7.020 CV     1
 ASSI ! 1274!
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      4.300     2.300     1.700 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.31466E-03 ppm1      9.203 ppm2      3.378 CV     1
 ASSI ! 1275!
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 106  and name HB1 ))
      4.000     2.000     2.000 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.60130E-03 ppm1      9.184 ppm2      3.994 CV     1
 ASSI ! 1276!
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 108 and name HB1 ) or ( segid "    " and resid 108 and name HB2 ))
      3.900     1.900     1.900 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.63868E-03 ppm1      9.192 ppm2      2.223 CV     1
 ASSI ! 1277!
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      3.200     1.200     1.200 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.12535E-02 ppm1      9.190 ppm2      7.824 CV     1
 ASSI ! 1278!
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 109  and name HB  ))
      5.100     3.300     0.900 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.51258E-03 ppm1      9.189 ppm2      1.456 CV     1
 ASSI ! 1279!
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 109 and name HG2#) or ( segid "    " and resid 109 and name HG1#))
      4.100     2.200     1.900 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.62244E-03 ppm1      9.188 ppm2      0.324 CV     1
 ASSI ! 1280!
   (( segid "    " and resid 98   and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      5.200     3.300     0.800 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.31938E-03 ppm1      9.176 ppm2      8.616 CV     1
 ASSI ! 1281!
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      3.900     1.900     1.900 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.48576E-03 ppm1      8.971 ppm2      9.217 CV     1
 ASSI ! 1283!
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 61   and name HG2 ))
      4.900     3.000     1.100 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.41376E-03 ppm1      8.975 ppm2      0.747 CV     1
 ASSI ! 1286!
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 76  and name HD1#) or ( segid "    " and resid 76  and name HD2#))
      3.900     1.900     1.900 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.55175E-03 ppm1      8.973 ppm2      0.915 CV     1
 ASSI ! 1288!
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HB1 ))
      3.700     1.700     1.700 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.48642E-03 ppm1      8.973 ppm2      2.796 CV     1
 ASSI ! 1289!
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      4.200     2.200     1.800 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.79214E-03 ppm1      8.969 ppm2      2.562 CV     1
 ASSI ! 1290!
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 98   and name HD# )
      4.200     2.200     1.800 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.62426E-03 ppm1      8.980 ppm2      6.909 CV     1
 ASSI ! 1291!
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 98   and name HN  ))
      4.300     2.400     1.700 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.54614E-03 ppm1      8.972 ppm2      9.188 CV     1
 ASSI ! 1292!
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.200     1.300     1.300 peak  1292 spectrum    1 weight  0.10000E+01 volume  0.10398E-02 ppm1      8.980 ppm2      4.900 CV     1
 ASSI ! 1293!
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 99   and name HB1 ))
      4.100     2.100     1.900 peak  1293 spectrum    1 weight  0.10000E+01 volume  0.10207E-02 ppm1      8.972 ppm2      3.218 CV     1
 ASSI ! 1295!
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 99   and name HD# )
      3.000     1.100     1.100 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.16864E-02 ppm1      8.975 ppm2      7.032 CV     1
 ASSI ! 1296!
   (( segid "    " and resid 99   and name HN  ))
   (  segid "    " and resid 99   and name HE# )
      4.900     3.000     1.100 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.43343E-03 ppm1      8.969 ppm2      7.253 CV     1
 ASSI ! 1298!
   (( segid "    " and resid 99   and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      4.800     2.800     1.200 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.25303E-03 ppm1      8.975 ppm2      9.482 CV     1
 ASSI ! 1299!
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      4.500     2.600     1.500 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.27092E-03 ppm1      9.473 ppm2      9.220 CV     1
 ASSI ! 1300!
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      2.400     0.700     0.700 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.25886E-02 ppm1      9.479 ppm2      4.898 CV     1
 ASSI ! 1302!
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 99   and name HB2 ))
      4.700     2.700     1.300 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.42325E-03 ppm1      9.475 ppm2      2.974 CV     1
 ASSI ! 1304!
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      3.100     1.200     1.200 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.70882E-03 ppm1      9.479 ppm2      4.536 CV     1
 ASSI ! 1306!
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      2.800     0.900     0.900 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.13087E-02 ppm1      9.478 ppm2      1.492 CV     1
 ASSI ! 1308!
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HD2 ))
      2.400     0.700     0.700 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.12271E-02 ppm1      9.478 ppm2      1.515 CV     1
 ASSI ! 1309!
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HE1 ))
      5.400     3.700     0.600 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.31297E-03 ppm1      9.478 ppm2      3.076 CV     1
 ASSI ! 1310!
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 100  and name HE2 ))
      6.000     4.600     0.000 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.18990E-03 ppm1      9.476 ppm2      2.729 CV     1
 ASSI ! 1314!
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      4.800     2.900     1.200 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.37914E-03 ppm1      9.480 ppm2      8.061 CV     1
 ASSI ! 1315!
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 103  and name HB1 ))
      3.900     1.900     1.900 peak  1315 spectrum    1 weight  0.10000E+01 volume  0.65172E-03 ppm1      9.479 ppm2      2.337 CV     1
 ASSI ! 1316!
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
      3.100     1.200     1.200 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.83952E-03 ppm1      9.478 ppm2      2.292 CV     1
 ASSI ! 1317!
   (( segid "    " and resid 100  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      4.400     2.400     1.600 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.37253E-03 ppm1      9.477 ppm2      3.385 CV     1
 ASSI ! 1318!
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 58   and name HG1 ))
      4.000     2.000     2.000 peak  1318 spectrum    1 weight  0.10000E+01 volume  0.47234E-03 ppm1      8.071 ppm2      2.300 CV     1
 ASSI ! 1319!
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 58   and name HG2 ))
      3.300     3.300     2.700 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.34403E-03 ppm1      8.065 ppm2      0.937 CV     1
 ASSI ! 1320!
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      3.100     1.200     1.200 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.18282E-02 ppm1      8.068 ppm2      4.611 CV     1
 ASSI ! 1321!
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 60  and name HB1 ) or ( segid "    " and resid 60  and name HB2 ))
      3.000     1.200     1.200 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.16508E-02 ppm1      8.069 ppm2      2.037 CV     1
 ASSI ! 1323!
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
      5.000     3.100     1.000 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.60084E-03 ppm1      8.068 ppm2      2.274 CV     1
 ASSI ! 1324!
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 60   and name HN  ))
      3.500     1.500     1.500 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.14459E-02 ppm1      8.070 ppm2      9.230 CV     1
 ASSI ! 1325!
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HA  ))
      2.200     0.600     0.600 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.54922E-02 ppm1      8.068 ppm2      4.531 CV     1
 ASSI ! 1326!
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      2.300     0.700     0.700 peak  1326 spectrum    1 weight  0.10000E+01 volume  0.32657E-02 ppm1      8.067 ppm2      1.875 CV     1
 ASSI ! 1327!
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      3.800     1.800     1.800 peak  1327 spectrum    1 weight  0.10000E+01 volume  0.14569E-02 ppm1      8.068 ppm2      1.490 CV     1
 ASSI ! 1328!
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HG1 ))
      4.600     2.600     1.400 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.55507E-03 ppm1      8.069 ppm2      1.337 CV     1
 ASSI ! 1329!
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 100  and name HG2 ))
      4.900     3.000     1.100 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.56433E-03 ppm1      8.068 ppm2      0.475 CV     1
 ASSI ! 1333!
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101 and name HD1 ) or ( segid "    " and resid 101 and name HD2 ))
      4.300     2.400     1.700 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.10179E-02 ppm1      8.069 ppm2      1.687 CV     1
 ASSI ! 1334!
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101 and name HE1 ) or ( segid "    " and resid 101 and name HE2 ))
      5.000     3.100     1.000 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.47006E-03 ppm1      8.067 ppm2      3.000 CV     1
 ASSI ! 1335!
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101 and name HG1 ) or ( segid "    " and resid 101 and name HG2 ))
      3.900     1.900     1.900 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.17372E-02 ppm1      8.068 ppm2      1.438 CV     1
 ASSI ! 1336!
   (( segid "    " and resid 101  and name HN  ))
   (( segid "    " and resid 101 and name HG2 ) or ( segid "    " and resid 101 and name HG1 ))
      4.000     2.000     2.000 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.11105E-02 ppm1      8.069 ppm2      1.381 CV     1
 ASSI ! 1339!
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 60  and name HB1 ) or ( segid "    " and resid 60  and name HB2 ))
      4.100     2.100     1.900 peak  1339 spectrum    1 weight  0.10000E+01 volume  0.17792E-02 ppm1      8.902 ppm2      2.038 CV     1
 ASSI ! 1340!
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 60   and name HG1 ))
      3.400     3.400     2.600 peak  1340 spectrum    1 weight  0.10000E+01 volume  0.27739E-03 ppm1      8.902 ppm2      2.474 CV     1
 ASSI ! 1341!
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 60   and name HG2 ))
      3.000     3.000     3.000 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.53181E-03 ppm1      8.906 ppm2      2.286 CV     1
 ASSI ! 1342!
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101 and name HB2 ) or ( segid "    " and resid 101 and name HB1 ))
      4.000     2.000     2.000 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.13482E-02 ppm1      8.903 ppm2      1.811 CV     1
 ASSI ! 1343!
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101 and name HD2 ) or ( segid "    " and resid 101 and name HD1 ))
      2.900     2.900     3.100 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.73939E-03 ppm1      8.900 ppm2      1.691 CV     1
 ASSI ! 1344!
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101 and name HG1 ) or ( segid "    " and resid 101 and name HG2 ))
      3.300     1.400     1.400 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.14468E-02 ppm1      8.901 ppm2      1.437 CV     1
 ASSI ! 1345!
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101 and name HG2 ) or ( segid "    " and resid 101 and name HG1 ))
      3.200     1.300     1.300 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.14807E-02 ppm1      8.902 ppm2      1.388 CV     1
 ASSI ! 1346!
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 101  and name HN  ))
      3.300     1.400     1.400 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.39666E-02 ppm1      8.902 ppm2      8.053 CV     1
 ASSI ! 1347!
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
      2.400     0.700     0.700 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.13660E-01 ppm1      8.903 ppm2      4.197 CV     1
 ASSI ! 1348!
   (( segid "    " and resid 102  and name HN  ))
   (( segid "    " and resid 102  and name HA2 ))
      2.400     0.700     0.700 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.51188E-02 ppm1      8.899 ppm2      3.813 CV     1
 ASSI ! 1351!
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 60  and name HB1 ) or ( segid "    " and resid 60  and name HB2 ))
      3.300     3.300     2.700 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.33866E-03 ppm1      8.044 ppm2      2.049 CV     1
 ASSI ! 1352!
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 100  and name HB1 ))
      4.500     2.500     1.500 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.33422E-03 ppm1      8.047 ppm2      1.890 CV     1
 ASSI ! 1353!
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 100  and name HB2 ))
      4.100     2.100     1.900 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.32503E-03 ppm1      8.044 ppm2      1.472 CV     1
 ASSI ! 1354!
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      4.300     2.300     1.700 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.33335E-03 ppm1      8.055 ppm2      9.466 CV     1
 ASSI ! 1355!
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HA1 ))
      3.000     1.100     1.100 peak  1355 spectrum    1 weight  0.10000E+01 volume  0.22990E-02 ppm1      8.045 ppm2      4.194 CV     1
 ASSI ! 1356!
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HA2 ))
      3.600     1.600     1.600 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.12322E-02 ppm1      8.044 ppm2      3.825 CV     1
 ASSI ! 1357!
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 102  and name HN  ))
      2.700     0.900     0.900 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.30018E-02 ppm1      8.044 ppm2      8.901 CV     1
 ASSI ! 1359!
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB1 ))
      3.100     1.200     1.200 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.48368E-02 ppm1      8.045 ppm2      2.347 CV     1
 ASSI ! 1360!
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
      2.400     0.700     0.700 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.50889E-02 ppm1      8.045 ppm2      2.306 CV     1
 ASSI ! 1362!
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 104  and name HN  ))
      4.600     2.600     1.400 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.58178E-03 ppm1      8.048 ppm2      8.739 CV     1
 ASSI ! 1363!
   (( segid "    " and resid 103  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      5.300     3.500     0.700 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.45440E-03 ppm1      8.050 ppm2      7.611 CV     1
 ASSI ! 1365!
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB1 ))
      3.100     1.200     1.200 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.15106E-02 ppm1      8.734 ppm2      2.358 CV     1
 ASSI ! 1366!
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
      3.800     1.800     1.800 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.13293E-02 ppm1      8.736 ppm2      2.307 CV     1
 ASSI ! 1369!
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      3.400     1.400     1.400 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.10878E-02 ppm1      8.737 ppm2      4.023 CV     1
 ASSI ! 1372!
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 105  and name HB2 ))
      5.200     3.400     0.800 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.31587E-03 ppm1      8.739 ppm2      1.769 CV     1
 ASSI ! 1373!
   (( segid "    " and resid 104  and name HN  ))
   (( segid "    " and resid 105  and name HN  ))
      2.300     0.700     0.700 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.41340E-02 ppm1      8.736 ppm2      7.605 CV     1
 ASSI ! 1376!
   (( segid "    " and resid 105  and name HN  ))
   (  segid "    " and resid 99   and name HD# )
      3.900     1.900     1.900 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.35449E-03 ppm1      7.605 ppm2      7.031 CV     1
 ASSI ! 1378!
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 103  and name HB1 ))
      2.800     1.000     1.000 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.24250E-02 ppm1      7.606 ppm2      2.358 CV     1
 ASSI ! 1379!
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 103  and name HB2 ))
      3.700     1.700     1.700 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.19618E-02 ppm1      7.605 ppm2      2.310 CV     1
 ASSI ! 1381!
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HA  ))
      3.400     1.400     1.400 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.15134E-02 ppm1      7.608 ppm2      4.599 CV     1
 ASSI ! 1382!
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB1 ))
      4.100     2.100     1.900 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.66310E-03 ppm1      7.607 ppm2      4.023 CV     1
 ASSI ! 1383!
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 104  and name HB2 ))
      4.300     2.300     1.700 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.53584E-03 ppm1      7.601 ppm2      3.848 CV     1
 ASSI ! 1385!
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.900     1.100     1.100 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.16593E-02 ppm1      7.608 ppm2      5.592 CV     1
 ASSI ! 1386!
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB1 ))
      2.800     1.000     1.000 peak  1386 spectrum    1 weight  0.10000E+01 volume  0.27197E-02 ppm1      7.606 ppm2      1.838 CV     1
 ASSI ! 1387!
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HB2 ))
      2.700     0.900     0.900 peak  1387 spectrum    1 weight  0.10000E+01 volume  0.30585E-02 ppm1      7.606 ppm2      1.779 CV     1
 ASSI ! 1388!
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HG1 ))
      3.800     1.800     1.800 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.64216E-03 ppm1      7.606 ppm2      1.586 CV     1
 ASSI ! 1389!
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 105  and name HG2 ))
      3.800     1.800     1.800 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.79683E-03 ppm1      7.603 ppm2      1.441 CV     1
 ASSI ! 1391!
   (( segid "    " and resid 105  and name HN  ))
   (( segid "    " and resid 106  and name HN  ))
      4.500     2.500     1.500 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.48210E-03 ppm1      7.603 ppm2      8.233 CV     1
 ASSI ! 1402!
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HA  ))
      2.300     0.700     0.700 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.64491E-02 ppm1      8.230 ppm2      5.587 CV     1
 ASSI ! 1403!
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HB1 ))
      3.600     1.600     1.600 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.11192E-02 ppm1      8.232 ppm2      1.828 CV     1
 ASSI ! 1404!
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HB2 ))
      3.800     1.800     1.800 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.11458E-02 ppm1      8.233 ppm2      1.766 CV     1
 ASSI ! 1405!
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HG1 ))
      3.600     1.600     1.600 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.10080E-02 ppm1      8.230 ppm2      1.573 CV     1
 ASSI ! 1406!
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 105  and name HG2 ))
      3.500     1.500     1.500 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.12046E-02 ppm1      8.230 ppm2      1.440 CV     1
 ASSI ! 1408!
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      3.100     1.200     1.200 peak  1408 spectrum    1 weight  0.10000E+01 volume  0.13099E-02 ppm1      8.229 ppm2      3.375 CV     1
 ASSI ! 1409!
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB1 ))
      3.100     1.200     1.200 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.10618E-02 ppm1      8.228 ppm2      3.989 CV     1
 ASSI ! 1410!
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
      3.300     1.300     1.300 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.18157E-02 ppm1      8.229 ppm2      2.775 CV     1
 ASSI ! 1412!
   (( segid "    " and resid 106  and name HN  ))
   (( segid "    " and resid 107  and name HN  ))
      4.400     2.400     1.600 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.65998E-03 ppm1      8.230 ppm2      8.339 CV     1
 ASSI ! 1413!
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      4.600     2.600     1.400 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.31489E-03 ppm1      8.323 ppm2      2.564 CV     1
 ASSI ! 1415!
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.500     1.500     1.500 peak  1415 spectrum    1 weight  0.10000E+01 volume  0.76070E-03 ppm1      8.330 ppm2      4.890 CV     1
 ASSI ! 1416!
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 100  and name HN  ))
      3.400     3.400     2.600 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.27685E-03 ppm1      8.335 ppm2      9.481 CV     1
 ASSI ! 1417!
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      2.500     0.800     0.800 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.28667E-02 ppm1      8.330 ppm2      3.370 CV     1
 ASSI ! 1418!
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HB1 ))
      3.900     1.900     1.900 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.10443E-02 ppm1      8.331 ppm2      3.987 CV     1
 ASSI ! 1419!
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
      3.600     1.600     1.600 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.92678E-03 ppm1      8.331 ppm2      2.771 CV     1
 ASSI ! 1421!
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.300     1.400     1.400 peak  1421 spectrum    1 weight  0.10000E+01 volume  0.10122E-02 ppm1      8.330 ppm2      5.016 CV     1
 ASSI ! 1422!
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HB1 ))
      3.900     1.900     1.900 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.49423E-03 ppm1      8.330 ppm2      4.229 CV     1
 ASSI ! 1423!
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 107  and name HB2 ))
      3.700     1.700     1.700 peak  1423 spectrum    1 weight  0.10000E+01 volume  0.52588E-03 ppm1      8.333 ppm2      4.112 CV     1
 ASSI ! 1425!
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 108 and name HB1 ) or ( segid "    " and resid 108 and name HB2 ))
      5.600     3.900     0.400 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.21295E-03 ppm1      8.328 ppm2      2.234 CV     1
 ASSI ! 1426!
   (( segid "    " and resid 107  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      2.200     0.600     0.600 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.50312E-02 ppm1      8.332 ppm2      7.817 CV     1
 ASSI ! 1428!
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 98   and name HA  ))
      3.300     3.300     2.700 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.34299E-03 ppm1      7.824 ppm2      5.188 CV     1
 ASSI ! 1429!
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 98   and name HB2 ))
      3.500     1.500     1.500 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.59145E-03 ppm1      7.821 ppm2      2.556 CV     1
 ASSI ! 1431!
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 99   and name HA  ))
      3.000     3.000     3.000 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.55096E-03 ppm1      7.821 ppm2      4.886 CV     1
 ASSI ! 1432!
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 106  and name HA  ))
      4.600     2.700     1.400 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.10030E-02 ppm1      7.821 ppm2      3.380 CV     1
 ASSI ! 1433!
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 106  and name HB1 ))
      4.700     2.700     1.300 peak  1433 spectrum    1 weight  0.10000E+01 volume  0.71630E-03 ppm1      7.823 ppm2      3.996 CV     1
 ASSI ! 1434!
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 106  and name HB2 ))
      4.100     2.100     1.900 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.91258E-03 ppm1      7.819 ppm2      2.769 CV     1
 ASSI ! 1440!
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108 and name HB1 ) or ( segid "    " and resid 108 and name HB2 ))
      2.900     1.000     1.000 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.14267E-02 ppm1      7.821 ppm2      2.224 CV     1
 ASSI ! 1441!
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 108 and name HB2 ) or ( segid "    " and resid 108 and name HB1 ))
      3.200     1.300     1.300 peak  1441 spectrum    1 weight  0.10000E+01 volume  0.10608E-02 ppm1      7.821 ppm2      2.199 CV     1
 ASSI ! 1443!
   (( segid "    " and resid 108  and name HN  ))
   (( segid "    " and resid 109 and name HG2#) or ( segid "    " and resid 109 and name HG1#))
      4.100     2.100     1.900 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.39962E-03 ppm1      7.818 ppm2      0.316 CV     1
 ASSI ! 1452!
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 107  and name HA  ))
      3.200     3.200     2.800 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.40765E-03 ppm1      7.755 ppm2      5.005 CV     1
 ASSI ! 1453!
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HA  ))
      2.400     0.700     0.700 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.45070E-02 ppm1      7.757 ppm2      4.748 CV     1
 ASSI ! 1454!
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108 and name HB1 ) or ( segid "    " and resid 108 and name HB2 ))
      4.400     2.500     1.600 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.56429E-03 ppm1      7.761 ppm2      2.228 CV     1
 ASSI ! 1455!
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 108  and name HN  ))
      3.700     1.700     1.700 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.13939E-02 ppm1      7.756 ppm2      7.818 CV     1
 ASSI ! 1456!
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HA  ))
      2.900     1.100     1.100 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.16850E-02 ppm1      7.756 ppm2      5.218 CV     1
 ASSI ! 1457!
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109  and name HB  ))
      3.000     1.100     1.100 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.16925E-02 ppm1      7.755 ppm2      1.463 CV     1
 ASSI ! 1458!
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 109 and name HG2#) or ( segid "    " and resid 109 and name HG1#))
      2.600     0.900     0.900 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.62028E-02 ppm1      7.756 ppm2      0.324 CV     1
 ASSI ! 1460!
   (( segid "    " and resid 109  and name HN  ))
   (( segid "    " and resid 110  and name HN  ))
      4.400     2.500     1.600 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.49091E-03 ppm1      7.753 ppm2      8.617 CV     1
 ASSI ! 1461!
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 96   and name HB  ))
      3.300     1.400     1.400 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.81606E-03 ppm1      8.620 ppm2      3.671 CV     1
 ASSI ! 1462!
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 96   and name HG1 ))
      4.900     3.000     1.100 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.35049E-03 ppm1      8.618 ppm2      3.311 CV     1
 ASSI ! 1463!
   (( segid "    " and resid 110  and name HN  ))
   (  segid "    " and resid 96   and name HG2#)
      4.000     2.000     2.000 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.54373E-03 ppm1      8.620 ppm2      0.653 CV     1
 ASSI ! 1465!
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 97   and name HA  ))
      3.700     1.700     1.700 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.90593E-03 ppm1      8.616 ppm2      5.029 CV     1
 ASSI ! 1466!
   (( segid "    " and resid 110  and name HN  ))
   (  segid "    " and resid 98   and name HD# )
      3.900     1.900     1.900 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.49531E-03 ppm1      8.622 ppm2      6.906 CV     1
 ASSI ! 1468!
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 109 and name HG1#) or ( segid "    " and resid 109 and name HG2#))
      2.500     0.800     0.800 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.50806E-02 ppm1      8.617 ppm2      0.322 CV     1
 ASSI ! 1470!
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      3.200     1.300     1.300 peak  1470 spectrum    1 weight  0.10000E+01 volume  0.82802E-03 ppm1      8.616 ppm2      4.017 CV     1
 ASSI ! 1471!
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HB  ))
      2.600     0.800     0.800 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.23159E-02 ppm1      8.617 ppm2      1.453 CV     1
 ASSI ! 1473!
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG11))
      3.300     1.400     1.400 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.60279E-03 ppm1      8.620 ppm2      1.702 CV     1
 ASSI ! 1474!
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 110  and name HG12))
      4.000     2.000     2.000 peak  1474 spectrum    1 weight  0.10000E+01 volume  0.91806E-03 ppm1      8.617 ppm2      0.917 CV     1
 ASSI ! 1475!
   (( segid "    " and resid 110  and name HN  ))
   (  segid "    " and resid 110  and name HG2#)
      4.000     2.000     2.000 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.11316E-02 ppm1      8.619 ppm2      0.818 CV     1
 ASSI ! 1477!
   (( segid "    " and resid 110  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      4.400     2.400     1.600 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.40385E-03 ppm1      8.615 ppm2      8.943 CV     1
 ASSI ! 1478!
   (( segid "    " and resid 111  and name HD21))
   (( segid "    " and resid 95   and name HE2 ))
      4.200     2.200     1.800 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.38046E-03 ppm1      7.573 ppm2      2.455 CV     1
 ASSI ! 1479!
   (( segid "    " and resid 111  and name HD21))
   (( segid "    " and resid 109 and name HG1#) or ( segid "    " and resid 109 and name HG2#))
      3.400     1.500     1.500 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.75625E-03 ppm1      7.572 ppm2      0.315 CV     1
 ASSI ! 1482!
   (( segid "    " and resid 111  and name HD21))
   (( segid "    " and resid 111  and name HD22))
      1.600     0.300     0.600 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.21912E-01 ppm1      7.573 ppm2      7.045 CV     1
 ASSI ! 1484!
   (( segid "    " and resid 111  and name HD22))
   (( segid "    " and resid 95   and name HE1 ))
      4.900     3.000     1.100 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.29188E-03 ppm1      7.037 ppm2      2.589 CV     1
 ASSI ! 1486!
   (( segid "    " and resid 111  and name HD22))
   (( segid "    " and resid 109 and name HG1#) or ( segid "    " and resid 109 and name HG2#))
      3.800     1.800     1.800 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.50129E-03 ppm1      7.047 ppm2      0.319 CV     1
 ASSI ! 1488!
   (( segid "    " and resid 111  and name HD22))
   (( segid "    " and resid 111  and name HB2 ))
      4.800     2.900     1.200 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.40910E-03 ppm1      7.047 ppm2      2.676 CV     1
 ASSI ! 1492!
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      5.200     3.400     0.800 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.28010E-03 ppm1      8.930 ppm2      4.684 CV     1
 ASSI ! 1493!
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 109 and name HG1#) or ( segid "    " and resid 109 and name HG2#))
      3.900     1.900     1.900 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.59253E-03 ppm1      8.933 ppm2      0.316 CV     1
 ASSI ! 1494!
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HA  ))
      2.400     0.700     0.700 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.44414E-02 ppm1      8.934 ppm2      4.015 CV     1
 ASSI ! 1495!
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 110  and name HB  ))
      4.700     2.700     1.300 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.38979E-03 ppm1      8.928 ppm2      1.440 CV     1
 ASSI ! 1496!
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 110  and name HD1#)
      3.100     3.100     2.900 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.44746E-03 ppm1      8.935 ppm2      1.022 CV     1
 ASSI ! 1497!
   (( segid "    " and resid 111  and name HN  ))
   (  segid "    " and resid 110  and name HG2#)
      3.100     1.200     1.200 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.29461E-02 ppm1      8.935 ppm2      0.814 CV     1
 ASSI ! 1500!
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB1 ))
      3.600     1.600     1.600 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.18999E-02 ppm1      8.934 ppm2      2.821 CV     1
 ASSI ! 1501!
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
      2.700     0.900     0.900 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.23958E-02 ppm1      8.934 ppm2      2.685 CV     1
 ASSI ! 1502!
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HD21))
      3.600     1.600     1.600 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.52538E-03 ppm1      8.931 ppm2      7.577 CV     1
 ASSI ! 1503!
   (( segid "    " and resid 111  and name HN  ))
   (( segid "    " and resid 111  and name HD22))
      4.600     2.700     1.400 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.36010E-03 ppm1      8.945 ppm2      7.037 CV     1
 ASSI ! 1507!
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 95   and name HA  ))
      3.200     1.300     1.300 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.17677E-02 ppm1      7.984 ppm2      4.690 CV     1
 ASSI ! 1508!
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 95   and name HB1 ))
      3.100     3.100     2.900 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.44638E-03 ppm1      7.992 ppm2      0.941 CV     1
 ASSI ! 1509!
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 95   and name HB2 ))
      4.100     2.100     1.900 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.52264E-03 ppm1      7.991 ppm2      0.817 CV     1
 ASSI ! 1510!
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 95   and name HD2 ))
      3.700     3.700     2.300 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.17275E-03 ppm1      7.988 ppm2      1.037 CV     1
 ASSI ! 1511!
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 95   and name HG1 ))
      3.000     3.000     3.000 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.55183E-03 ppm1      7.979 ppm2      0.635 CV     1
 ASSI ! 1512!
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 95   and name HN  ))
      4.400     2.500     1.600 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.29117E-03 ppm1      7.980 ppm2      7.293 CV     1
! ASSI ! 1514!
!   (( segid "    " and resid 112  and name HN  ))
!   (( segid "    " and resid 109 and name HG1#) or ( segid "    " and resid 109 and name HG2#))
!      3.200     3.200     2.800 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.39128E-03 ppm1      7.992 ppm2      0.322 CV     1
 ASSI ! 1517!
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HB2 ))
      4.200     2.200     1.800 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.87848E-03 ppm1      7.991 ppm2      2.683 CV     1
 ASSI ! 1518!
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 111  and name HN  ))
      4.400     2.400     1.600 peak  1518 spectrum    1 weight  0.10000E+01 volume  0.78977E-03 ppm1      7.987 ppm2      8.943 CV     1
 ASSI ! 1520!
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 112  and name HA2 ))
      3.000     1.100     1.100 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.23799E-02 ppm1      7.988 ppm2      3.843 CV     1
 ASSI ! 1522!
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 113  and name HD1 ))
      4.800     2.900     1.200 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.66492E-03 ppm1      7.987 ppm2      4.001 CV     1
 ASSI ! 1523!
   (( segid "    " and resid 112  and name HN  ))
   (( segid "    " and resid 113  and name HD2 ))
      4.800     2.800     1.200 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.51450E-03 ppm1      7.985 ppm2      3.633 CV     1
 ASSI ! 1524!
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      5.200     3.300     0.800 peak  1524 spectrum    1 weight  0.10000E+01 volume  0.27789E-03 ppm1      8.936 ppm2      2.642 CV     1
 ASSI ! 1525!
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      4.700     2.800     1.300 peak  1525 spectrum    1 weight  0.10000E+01 volume  0.45083E-03 ppm1      8.936 ppm2      2.565 CV     1
 ASSI ! 1526!
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 92   and name HB1 ))
      3.300     1.400     1.400 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.18624E-02 ppm1      8.938 ppm2      1.582 CV     1
 ASSI ! 1527!
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 92   and name HB2 ))
      4.500     2.500     1.500 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.11510E-02 ppm1      8.937 ppm2      1.468 CV     1
 ASSI ! 1528!
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 92  and name HE1 ) or ( segid "    " and resid 92  and name HE2 ))
      3.000     3.000     3.000 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.57389E-03 ppm1      8.938 ppm2      2.998 CV     1
 ASSI ! 1529!
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 92   and name HG2 ))
      4.100     2.100     1.900 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.71709E-03 ppm1      8.937 ppm2      1.445 CV     1
 ASSI ! 1530!
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 93   and name HN  ))
      4.700     2.800     1.300 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.39740E-03 ppm1      8.933 ppm2      9.181 CV     1
 ASSI ! 1532!
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      5.800     4.200     0.200 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.41146E-03 ppm1      8.937 ppm2      2.909 CV     1
 ASSI ! 1533!
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 94   and name HB2 ))
      4.300     2.300     1.700 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.79645E-03 ppm1      8.937 ppm2      2.299 CV     1
 ASSI ! 1536!
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 112  and name HN  ))
      3.300     3.300     2.700 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.32001E-03 ppm1      8.933 ppm2      7.992 CV     1
 ASSI ! 1537!
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HA  ))
      2.800     1.000     1.000 peak  1537 spectrum    1 weight  0.10000E+01 volume  0.14904E-02 ppm1      8.940 ppm2      4.614 CV     1
 ASSI ! 1538!
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HB1 ))
      4.500     2.500     1.500 peak  1538 spectrum    1 weight  0.10000E+01 volume  0.81290E-03 ppm1      8.937 ppm2      2.284 CV     1
 ASSI ! 1539!
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HB2 ))
      3.800     1.800     1.800 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.71829E-03 ppm1      8.939 ppm2      1.982 CV     1
 ASSI ! 1540!
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HD2 ))
      2.800     2.800     3.200 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.78462E-03 ppm1      8.939 ppm2      3.634 CV     1
 ASSI ! 1542!
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 113  and name HG2 ))
      3.700     1.700     1.700 peak  1542 spectrum    1 weight  0.10000E+01 volume  0.14955E-02 ppm1      8.939 ppm2      1.893 CV     1
 ASSI ! 1543!
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 114  and name HA1 ))
      2.500     0.800     0.800 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.34274E-02 ppm1      8.938 ppm2      4.049 CV     1
 ASSI ! 1544!
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 114  and name HA2 ))
      2.400     0.700     0.700 peak  1544 spectrum    1 weight  0.10000E+01 volume  0.41768E-02 ppm1      8.939 ppm2      3.194 CV     1
 ASSI ! 1546!
   (( segid "    " and resid 114  and name HN  ))
   (( segid "    " and resid 115  and name HN  ))
      3.000     1.100     1.100 peak  1546 spectrum    1 weight  0.10000E+01 volume  0.76315E-03 ppm1      8.941 ppm2      9.559 CV     1
 ASSI ! 1547!
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
      4.600     2.600     1.400 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.51213E-03 ppm1      9.551 ppm2      2.648 CV     1
 ASSI ! 1548!
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      4.200     2.200     1.800 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.46516E-03 ppm1      9.552 ppm2      2.568 CV     1
 ASSI ! 1555!
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115 and name HD1 ) or ( segid "    " and resid 115 and name HD2 ))
      4.200     2.300     1.800 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.84937E-03 ppm1      9.551 ppm2      1.663 CV     1
 ASSI ! 1556!
   (( segid "    " and resid 115  and name HN  ))
   (( segid "    " and resid 115 and name HE1 ) or ( segid "    " and resid 115 and name HE2 ))
      5.300     3.500     0.700 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.24270E-03 ppm1      9.551 ppm2      2.999 CV     1
 ASSI ! 1559!
   (( segid "    " and resid 115  and name HN  ))
   (  segid "    " and resid 116  and name HG2#)
      4.500     2.600     1.500 peak  1559 spectrum    1 weight  0.10000E+01 volume  0.58086E-03 ppm1      9.553 ppm2      0.862 CV     1
 ASSI ! 1561!
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      4.500     2.500     1.500 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.27837E-03 ppm1      7.328 ppm2      4.470 CV     1
 ASSI ! 1562!
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 67  and name HB1 ) or ( segid "    " and resid 67  and name HB2 ))
      4.900     3.000     1.100 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.25368E-03 ppm1      7.326 ppm2      1.999 CV     1
 ASSI ! 1564!
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.100     1.200     1.200 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.85227E-03 ppm1      7.325 ppm2      2.566 CV     1
 ASSI ! 1565!
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      5.300     3.500     0.700 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.30898E-03 ppm1      7.326 ppm2      8.577 CV     1
 ASSI ! 1566!
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 94   and name HB1 ))
      4.800     2.900     1.200 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.34617E-03 ppm1      7.329 ppm2      2.909 CV     1
 ASSI ! 1567!
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 114  and name HA2 ))
      4.300     2.300     1.700 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.26599E-03 ppm1      7.327 ppm2      3.191 CV     1
 ASSI ! 1570!
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HB2 ))
      4.300     2.300     1.700 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.75135E-03 ppm1      7.327 ppm2      1.693 CV     1
 ASSI ! 1572!
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 115  and name HN  ))
      2.900     1.100     1.100 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.20568E-02 ppm1      7.331 ppm2      9.554 CV     1
 ASSI ! 1574!
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 116  and name HB  ))
      3.600     1.600     1.600 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.99514E-03 ppm1      7.328 ppm2      4.070 CV     1
 ASSI ! 1577!
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 117  and name HD22))
      5.400     3.600     0.600 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.22037E-03 ppm1      7.327 ppm2      6.847 CV     1
 ASSI ! 1578!
   (( segid "    " and resid 116  and name HN  ))
   (( segid "    " and resid 117  and name HN  ))
      4.700     2.700     1.300 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.35462E-03 ppm1      7.332 ppm2      8.031 CV     1
 ASSI ! 1579!
   (( segid "    " and resid 117  and name HD21))
   (( segid "    " and resid 65   and name HA  ))
      4.600     2.600     1.400 peak  1579 spectrum    1 weight  0.10000E+01 volume  0.31343E-03 ppm1      8.258 ppm2      5.532 CV     1
 ASSI ! 1580!
   (( segid "    " and resid 117  and name HD21))
   (( segid "    " and resid 65   and name HB2 ))
      5.400     3.600     0.600 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.19095E-03 ppm1      8.268 ppm2      1.680 CV     1
 ASSI ! 1587!
   (( segid "    " and resid 117  and name HD21))
   (( segid "    " and resid 117  and name HD22))
      1.600     0.300     0.600 peak  1587 spectrum    1 weight  0.10000E+01 volume  0.73466E-02 ppm1      8.265 ppm2      6.849 CV     1
 ASSI ! 1588!
   (( segid "    " and resid 117  and name HD22))
   (( segid "    " and resid 65   and name HA  ))
      3.900     1.900     1.900 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.47076E-03 ppm1      6.851 ppm2      5.541 CV     1
 ASSI ! 1589!
   (( segid "    " and resid 117  and name HD22))
   (( segid "    " and resid 65   and name HB2 ))
      3.500     1.500     1.500 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.45378E-03 ppm1      6.846 ppm2      1.680 CV     1
 ASSI ! 1590!
   (( segid "    " and resid 117  and name HD22))
   (  segid "    " and resid 65   and name HD2#)
      2.900     2.900     3.100 peak  1590 spectrum    1 weight  0.10000E+01 volume  0.74147E-03 ppm1      6.849 ppm2      0.958 CV     1
 ASSI ! 1591!
   (( segid "    " and resid 117  and name HD22))
   (( segid "    " and resid 65   and name HG  ))
      3.400     3.400     2.600 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.26002E-03 ppm1      6.849 ppm2      1.864 CV     1
 ASSI ! 1599!
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      2.500     0.800     0.800 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.42429E-02 ppm1      8.035 ppm2      3.572 CV     1
 ASSI ! 1600!
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 116  and name HB  ))
      4.000     2.000     2.000 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.10773E-02 ppm1      8.035 ppm2      4.068 CV     1
 ASSI ! 1601!
   (( segid "    " and resid 117  and name HN  ))
   (  segid "    " and resid 116  and name HG2#)
      3.700     1.700     1.700 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.13785E-02 ppm1      8.036 ppm2      0.870 CV     1
 ASSI ! 1603!
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      2.800     1.000     1.000 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.15753E-02 ppm1      8.035 ppm2      4.923 CV     1
 ASSI ! 1606!
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HD21))
      4.300     2.300     1.700 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.43720E-03 ppm1      8.035 ppm2      8.263 CV     1
 ASSI ! 1607!
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 117  and name HD22))
      4.700     2.700     1.300 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.45349E-03 ppm1      8.031 ppm2      6.834 CV     1
 ASSI ! 1609!
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      4.800     2.900     1.200 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.41501E-03 ppm1      8.035 ppm2      4.112 CV     1
 ASSI ! 1610!
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
      5.200     3.400     0.800 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.34889E-03 ppm1      8.040 ppm2      2.195 CV     1
 ASSI ! 1611!
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      4.600     2.600     1.400 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.49971E-03 ppm1      8.040 ppm2      1.791 CV     1
 ASSI ! 1612!
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
      4.300     2.300     1.700 peak  1612 spectrum    1 weight  0.10000E+01 volume  0.45598E-03 ppm1      8.035 ppm2      2.301 CV     1
 ASSI ! 1613!
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      4.100     2.100     1.900 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.67518E-03 ppm1      8.030 ppm2      2.117 CV     1
 ASSI ! 1614!
   (( segid "    " and resid 117  and name HN  ))
   (( segid "    " and resid 118  and name HN  ))
      2.300     0.700     0.700 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.53937E-02 ppm1      8.036 ppm2      8.365 CV     1
 ASSI ! 1615!
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 116  and name HA  ))
      4.200     2.200     1.800 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.10313E-02 ppm1      8.358 ppm2      3.575 CV     1
 ASSI ! 1616!
   (( segid "    " and resid 118  and name HN  ))
   (  segid "    " and resid 116  and name HG2#)
      2.400     0.700     0.700 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.56786E-02 ppm1      8.361 ppm2      0.870 CV     1
 ASSI ! 1617!
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HA  ))
      2.900     1.000     1.000 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.13607E-02 ppm1      8.362 ppm2      4.921 CV     1
 ASSI ! 1618!
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HB1 ))
      4.400     2.400     1.600 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.64486E-03 ppm1      8.361 ppm2      2.758 CV     1
 ASSI ! 1619!
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 117  and name HB2 ))
      3.900     1.900     1.900 peak  1619 spectrum    1 weight  0.10000E+01 volume  0.80351E-03 ppm1      8.361 ppm2      2.589 CV     1
 ASSI ! 1621!
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      2.700     0.900     0.900 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.30459E-02 ppm1      8.363 ppm2      4.118 CV     1
 ASSI ! 1622!
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
      3.300     1.400     1.400 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.21433E-02 ppm1      8.362 ppm2      2.196 CV     1
 ASSI ! 1623!
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      2.500     0.800     0.800 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.44838E-02 ppm1      8.360 ppm2      1.804 CV     1
 ASSI ! 1624!
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
      3.000     1.100     1.100 peak  1624 spectrum    1 weight  0.10000E+01 volume  0.21709E-02 ppm1      8.361 ppm2      2.296 CV     1
 ASSI ! 1625!
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      2.800     1.000     1.000 peak  1625 spectrum    1 weight  0.10000E+01 volume  0.36141E-02 ppm1      8.361 ppm2      2.118 CV     1
 ASSI ! 1627!
   (( segid "    " and resid 118  and name HN  ))
   (( segid "    " and resid 119  and name HN  ))
      3.200     1.300     1.300 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.13445E-02 ppm1      8.361 ppm2      7.923 CV     1
 ASSI ! 1628!
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      4.200     2.200     1.800 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.27712E-03 ppm1      7.920 ppm2      3.768 CV     1
 ASSI ! 1629!
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 68   and name HD22))
      4.500     2.500     1.500 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.77494E-03 ppm1      7.922 ppm2      7.144 CV     1
 ASSI ! 1630!
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      3.800     1.800     1.800 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.35698E-03 ppm1      7.910 ppm2      8.572 CV     1
 ASSI ! 1631!
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 69  and name HD1 ) or ( segid "    " and resid 69  and name HD2 ))
      3.000     3.000     3.000 peak  1631 spectrum    1 weight  0.10000E+01 volume  0.54859E-03 ppm1      7.922 ppm2      1.542 CV     1
 ASSI ! 1632!
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 69   and name HG1 ))
      3.600     1.700     1.700 peak  1632 spectrum    1 weight  0.10000E+01 volume  0.48285E-03 ppm1      7.919 ppm2      1.050 CV     1
 ASSI ! 1633!
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 69   and name HG2 ))
      4.500     2.500     1.500 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.43978E-03 ppm1      7.918 ppm2      0.963 CV     1
 ASSI ! 1634!
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 116  and name HG2#)
      3.900     1.900     1.900 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.60479E-03 ppm1      7.916 ppm2      0.868 CV     1
 ASSI ! 1635!
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HA  ))
      2.400     0.700     0.700 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.55067E-02 ppm1      7.920 ppm2      4.121 CV     1
 ASSI ! 1636!
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HB1 ))
      2.900     2.900     3.100 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.50295E-02 ppm1      7.919 ppm2      2.198 CV     1
 ASSI ! 1637!
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HB2 ))
      3.300     1.300     1.300 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.28830E-02 ppm1      7.919 ppm2      1.804 CV     1
 ASSI ! 1638!
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HG1 ))
      3.900     1.900     1.900 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.12287E-02 ppm1      7.918 ppm2      2.290 CV     1
 ASSI ! 1639!
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 118  and name HG2 ))
      3.700     1.700     1.700 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.17811E-02 ppm1      7.919 ppm2      2.130 CV     1
 ASSI ! 1641!
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      2.700     0.900     0.900 peak  1641 spectrum    1 weight  0.10000E+01 volume  0.22803E-02 ppm1      7.920 ppm2      4.643 CV     1
 ASSI ! 1642!
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB1 ))
      3.200     1.300     1.300 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.30920E-02 ppm1      7.918 ppm2      2.927 CV     1
 ASSI ! 1643!
   (( segid "    " and resid 119  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      2.600     0.800     0.800 peak  1643 spectrum    1 weight  0.10000E+01 volume  0.50482E-02 ppm1      7.920 ppm2      2.769 CV     1
 ASSI ! 1645!
   (( segid "    " and resid 119  and name HN  ))
   (  segid "    " and resid 120  and name HB# )
      5.100     3.300     0.900 peak  1645 spectrum    1 weight  0.10000E+01 volume  0.33348E-03 ppm1      7.915 ppm2      1.261 CV     1
 ASSI ! 1647!
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 67  and name HB1 ) or ( segid "    " and resid 67  and name HB2 ))
      3.600     1.600     1.600 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.46727E-03 ppm1      8.281 ppm2      2.014 CV     1
 ASSI ! 1648!
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      4.200     2.200     1.800 peak  1648 spectrum    1 weight  0.10000E+01 volume  0.10942E-02 ppm1      8.285 ppm2      3.761 CV     1
 ASSI ! 1649!
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 68   and name HD21))
      4.600     2.700     1.400 peak  1649 spectrum    1 weight  0.10000E+01 volume  0.28315E-03 ppm1      8.283 ppm2      7.847 CV     1
 ASSI ! 1650!
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 68   and name HD22))
      3.400     1.500     1.500 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.10601E-02 ppm1      8.283 ppm2      7.138 CV     1
 ASSI ! 1651!
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      3.400     1.500     1.500 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.89709E-03 ppm1      8.284 ppm2      8.577 CV     1
 ASSI ! 1652!
   (( segid "    " and resid 120  and name HN  ))
   (  segid "    " and resid 116  and name HG2#)
      3.900     1.900     1.900 peak  1652 spectrum    1 weight  0.10000E+01 volume  0.60670E-03 ppm1      8.285 ppm2      0.865 CV     1
 ASSI ! 1653!
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 116  and name HN  ))
      4.300     2.300     1.700 peak  1653 spectrum    1 weight  0.10000E+01 volume  0.55175E-03 ppm1      8.282 ppm2      7.316 CV     1
 ASSI ! 1654!
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      2.000     0.500     0.500 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.11610E-01 ppm1      8.283 ppm2      4.639 CV     1
 ASSI ! 1655!
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HB1 ))
      3.500     1.500     1.500 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.24103E-02 ppm1      8.282 ppm2      2.920 CV     1
 ASSI ! 1656!
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      4.100     2.100     1.900 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.13055E-02 ppm1      8.284 ppm2      2.764 CV     1
 ASSI ! 1657!
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 119  and name HN  ))
      3.700     1.800     1.800 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.14351E-02 ppm1      8.281 ppm2      7.916 CV     1
 ASSI ! 1658!
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      2.600     0.900     0.900 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.41049E-02 ppm1      8.282 ppm2      4.272 CV     1
 ASSI ! 1659!
   (( segid "    " and resid 120  and name HN  ))
   (  segid "    " and resid 120  and name HB# )
      2.300     0.600     0.600 peak  1659 spectrum    1 weight  0.10000E+01 volume  0.10159E-01 ppm1      8.283 ppm2      1.261 CV     1
 ASSI ! 1661!
   (( segid "    " and resid 120  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      4.300     2.300     1.700 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.51047E-03 ppm1      8.283 ppm2      4.408 CV     1
 ASSI ! 1663!
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 116  and name HG2#)
      3.000     3.000     3.000 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.53846E-03 ppm1      7.556 ppm2      0.873 CV     1
 ASSI ! 1664!
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 119  and name HA  ))
      2.900     2.900     3.100 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.71214E-03 ppm1      7.554 ppm2      4.643 CV     1
 ASSI ! 1665!
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 119  and name HB2 ))
      2.900     2.900     3.100 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.74491E-03 ppm1      7.553 ppm2      2.770 CV     1
 ASSI ! 1666!
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HA  ))
      2.100     0.600     0.600 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.12747E-01 ppm1      7.556 ppm2      4.277 CV     1
 ASSI ! 1667!
   (( segid "    " and resid 121  and name HN  ))
   (  segid "    " and resid 120  and name HB# )
      3.400     1.500     1.500 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.42250E-02 ppm1      7.555 ppm2      1.262 CV     1
 ASSI ! 1668!
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 120  and name HN  ))
      3.400     1.400     1.400 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.28084E-02 ppm1      7.556 ppm2      8.287 CV     1
 ASSI ! 1669!
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HA  ))
      2.600     0.800     0.800 peak  1669 spectrum    1 weight  0.10000E+01 volume  0.52816E-02 ppm1      7.556 ppm2      4.409 CV     1
 ASSI ! 1670!
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HB1 ))
      3.100     1.200     1.200 peak  1670 spectrum    1 weight  0.10000E+01 volume  0.22815E-02 ppm1      7.555 ppm2      3.084 CV     1
 ASSI ! 1671!
   (( segid "    " and resid 121  and name HN  ))
   (( segid "    " and resid 121  and name HB2 ))
      2.600     0.800     0.800 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.53460E-02 ppm1      7.556 ppm2      2.894 CV     1
 ASSI !    3!
   (( segid "    " and resid 35  and name HG1 ) or ( segid "    " and resid 35  and name HG2 ))
   (( segid "    " and resid 41   and name HN  ))
      4.500     2.500     1.500 peak     3 spectrum    1 weight  0.10000E+01 volume  0.74487E-03 ppm1      1.950 ppm2      8.031 CV     1
! New unambiguous restraint HD1# Leu38 - (HD# Tyr 71) found by Aria1.2, but assignment seems to be wrong: distance is too high
! ASSI !    7!
!   (  segid "    " and resid 38   and name HD1#)
!   (  segid "    " and resid 71   and name HD# )
!      5.100     3.300     0.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.40609E-03 ppm1      0.845 ppm2      6.903 CV     1
 ASSI !    8!
   (  segid "    " and resid 38   and name HD1#)
   (  segid "    " and resid 72   and name HE# )
      4.000     2.000     2.000 peak     8 spectrum    1 weight  0.10000E+01 volume  0.63697E-03 ppm1      0.842 ppm2      6.816 CV     1
! New unambiguous restraint HD1# Leu38 - (HB# Glu88) found by Aria1.2, but assignment seems to be wrong: distance is too high
! ASSI !    9!
!   (  segid "    " and resid 38   and name HD1#)
!   (( segid "    " and resid 88  and name HB1 ) or ( segid "    " and resid 88  and name HB2 ))
!      4.200     2.200     1.800 peak     9 spectrum    1 weight  0.10000E+01 volume  0.19343E-02 ppm1      0.851 ppm2      1.966 CV     1
 ASSI !   11!
   (( segid "    " and resid 41   and name HB1 ))
   (  segid "    " and resid 41   and name HD1#)
      2.800     0.900     0.900 peak    11 spectrum    1 weight  0.10000E+01 volume  0.41914E-02 ppm1      1.749 ppm2      0.814 CV     1
 ASSI !   12!
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 41   and name HD1#)
      2.100     0.500     0.500 peak    12 spectrum    1 weight  0.10000E+01 volume  0.79371E-02 ppm1      1.429 ppm2      0.814 CV     1
 ASSI !   13!
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      4.700     2.800     1.300 peak    13 spectrum    1 weight  0.10000E+01 volume  0.47500E-03 ppm1      4.046 ppm2      7.434 CV     1
 ASSI !   20!
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      4.400     2.400     1.600 peak    20 spectrum    1 weight  0.10000E+01 volume  0.43309E-03 ppm1      3.871 ppm2      7.329 CV     1
 ASSI !   21!
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 110  and name HD1#)
      4.800     2.900     1.200 peak    21 spectrum    1 weight  0.10000E+01 volume  0.61172E-03 ppm1      4.178 ppm2      1.025 CV     1
 ASSI !   23!
   (  segid "    " and resid 49   and name HD1#)
   (( segid "    " and resid 46   and name HA  ))
      3.200     1.300     1.300 peak    23 spectrum    1 weight  0.10000E+01 volume  0.86178E-03 ppm1      0.594 ppm2      3.863 CV     1
 ASSI !   24!
   (  segid "    " and resid 49   and name HD1#)
   (( segid "    " and resid 98   and name HE# ) or ( segid "    " and resid 98   and name HZ  )) 
      2.500     0.800     0.800 peak    24 spectrum    1 weight  0.10000E+01 volume  0.32973E-02 ppm1      0.597 ppm2      7.008 CV     1
 ASSI !   28!
   (  segid "    " and resid 53   and name HG2#)
   (( segid "    " and resid 56   and name HA  ))
      4.200     2.200     1.800 peak    28 spectrum    1 weight  0.10000E+01 volume  0.15322E-02 ppm1      0.244 ppm2      4.149 CV     1
 ASSI !   29!
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      4.900     3.000     1.100 peak    29 spectrum    1 weight  0.10000E+01 volume  0.28232E-03 ppm1      4.993 ppm2      7.134 CV     1
 ASSI !   35!
   (  segid "    " and resid 62   and name HE# )
   (( segid "    " and resid 46   and name HA  ))
      4.100     2.100     1.900 peak    35 spectrum    1 weight  0.10000E+01 volume  0.57879E-03 ppm1      2.000 ppm2      3.856 CV     1
 ASSI !   38!
   (  segid "    " and resid 64   and name HG2#)
   (  segid "    " and resid 41   and name HD1#)
      2.200     0.600     0.600 peak    38 spectrum    1 weight  0.10000E+01 volume  0.16804E-01 ppm1      0.682 ppm2      0.814 CV     1
! Aria1.2 generated unambigious restraint HG2# Ile64 - HD22 Asn117 seems to be wrong; aromatic signal at 6.837 ppm ?
! ASSI !   40!
!   (  segid "    " and resid 64   and name HG2#)
!   (( segid "    " and resid 117  and name HD22))
!      4.400     2.400     1.600 peak    40 spectrum    1 weight  0.10000E+01 volume  0.72598E-03 ppm1      0.679 ppm2      6.837 CV     1
 ASSI !   45!
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 114  and name HA1 ))
      3.600     1.700     1.700 peak    45 spectrum    1 weight  0.10000E+01 volume  0.55200E-03 ppm1      2.646 ppm2      4.061 CV     1
 ASSI !   46!
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 114  and name HA1 ))
      3.600     1.600     1.600 peak    46 spectrum    1 weight  0.10000E+01 volume  0.67792E-03 ppm1      2.556 ppm2      4.061 CV     1
 ASSI !   47!
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      5.100     3.200     0.900 peak    47 spectrum    1 weight  0.10000E+01 volume  0.57418E-03 ppm1      4.435 ppm2      3.060 CV     1
 ASSI !   48!
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 61   and name HB2 ))
      4.300     2.300     1.700 peak    48 spectrum    1 weight  0.10000E+01 volume  0.50312E-03 ppm1      1.839 ppm2      1.084 CV     1
 ASSI !   49!
   (( segid "    " and resid 75   and name HA  ))
   ((  segid "    " and resid 76   and name HD2#) or (  segid "    " and resid 76   and name HD1#))
      4.700     2.800     1.300 peak    49 spectrum    1 weight  0.10000E+01 volume  0.91519E-03 ppm1      4.537 ppm2      0.920 CV     1
 ASSI !   52!
   (  segid "    " and resid 87   and name HG1#)
   (( segid "    " and resid 36   and name HA  ) or ( segid "    " and resid 36   and name HB  ))
      4.000     2.000     2.000 peak    52 spectrum    1 weight  0.10000E+01 volume  0.13141E-02 ppm1      1.151 ppm2      4.448 CV     1
 ASSI !   55!
   (( segid "    " and resid 91   and name HA2 ))
   (( segid "    " and resid 67   and name HN  ))
      4.600     2.600     1.400 peak    55 spectrum    1 weight  0.10000E+01 volume  0.79675E-03 ppm1      3.905 ppm2      8.588 CV     1
 ASSI !   59!
   (  segid "    " and resid 96   and name HG2#)
   (( segid "    " and resid 62   and name HN  ))
      4.700     2.700     1.300 peak    59 spectrum    1 weight  0.10000E+01 volume  0.61920E-03 ppm1      0.648 ppm2      9.047 CV     1
 ASSI !   63!
   (( segid "    " and resid 100  and name HE1 ))
   (  segid "    " and resid 59   and name HD# )
      4.200     2.200     1.800 peak    63 spectrum    1 weight  0.10000E+01 volume  0.48908E-03 ppm1      3.065 ppm2      7.158 CV     1
 ASSI !   64!
   (( segid "    " and resid 100  and name HE2 ))
   (  segid "    " and resid 59   and name HD# )
      3.400     1.500     1.500 peak    64 spectrum    1 weight  0.10000E+01 volume  0.94410E-03 ppm1      2.718 ppm2      7.164 CV     1
 ASSI !   65!
   (( segid "    " and resid 92   and name HG1 ))
   (( segid "    " and resid 114  and name HN  ))
      4.900     3.000     1.100 peak    65 spectrum    1 weight  0.10000E+01 volume  0.49880E-03 ppm1      1.572 ppm2      8.945 CV     1
 ASSI !   66!
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 114  and name HN  ))
      4.600     2.600     1.400 peak    66 spectrum    1 weight  0.10000E+01 volume  0.39136E-03 ppm1      1.444 ppm2      8.948 CV     1
 ASSI !   68!
   (  segid "    " and resid 109  and name HG2#)
   (( segid "    " and resid 111  and name HN  ))
      5.300     3.500     0.700 peak    68 spectrum    1 weight  0.10000E+01 volume  0.48684E-03 ppm1      0.325 ppm2      8.948 CV     1
 ASSI !   71!
   (  segid "    " and resid 110  and name HG2#)
   (( segid "    " and resid 45   and name HA  ))
      4.000     2.000     2.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.61459E-03 ppm1      0.814 ppm2      3.815 CV     1
 ASSI !   74!
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 69  and name HE2 ) or ( segid "    " and resid 69  and name HE1 ))
      2.900     2.900     3.100 peak    74 spectrum    1 weight  0.10000E+01 volume  0.68793E-03 ppm1      4.121 ppm2      2.835 CV     1
 ASSI !   75!
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 69  and name HD1 ) or ( segid "    " and resid 69  and name HD2 ))
      3.300     1.300     1.300 peak    75 spectrum    1 weight  0.10000E+01 volume  0.25172E-02 ppm1      4.109 ppm2      1.531 CV     1
 ASSI !   76!
   (( segid "    " and resid 33   and name HA2 ) or ( segid "    " and resid 33   and name HA1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.600     1.700     1.700 peak    76 spectrum    1 weight  0.10000E+01 volume  0.92869E-03 ppm1      3.974 ppm2      8.510 CV     1

 ASSI !   78!
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HA  ))
      2.700     0.900     0.900 peak    78 spectrum    1 weight  0.10000E+01 volume  0.26550E-02 ppm1      1.644 ppm2      4.601 CV     1
 ASSI !   79!
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      2.800     1.000     1.000 peak    79 spectrum    1 weight  0.10000E+01 volume  0.39062E-02 ppm1      1.524 ppm2      4.598 CV     1
 ASSI !   80!
   (( segid "    " and resid 34   and name HD1#))
   (( segid "    " and resid 34   and name HA  ))
      3.900     1.900     1.900 peak    80 spectrum    1 weight  0.10000E+01 volume  0.11023E-02 ppm1      0.967 ppm2      4.601 CV     1
 ASSI !   81!
   (( segid "    " and resid 34   and name HD2#))
   (( segid "    " and resid 34   and name HA  ))
      2.700     0.900     0.900 peak    81 spectrum    1 weight  0.10000E+01 volume  0.65359E-02 ppm1      0.926 ppm2      4.595 CV     1
 ASSI !   82!
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 34   and name HA  ))
      3.100     1.200     1.200 peak    82 spectrum    1 weight  0.10000E+01 volume  0.15175E-02 ppm1      1.701 ppm2      4.607 CV     1
 ASSI !   83!
   (( segid "    " and resid 35   and name HD1 ))
   (( segid "    " and resid 34   and name HA  ))
      1.900     0.400     0.400 peak    83 spectrum    1 weight  0.10000E+01 volume  0.13786E-01 ppm1      3.869 ppm2      4.601 CV     1
 ASSI !   84!
   (( segid "    " and resid 35   and name HD2 ))
   (( segid "    " and resid 34   and name HA  ))
      2.400     0.700     0.700 peak    84 spectrum    1 weight  0.10000E+01 volume  0.91706E-02 ppm1      3.566 ppm2      4.598 CV     1
 ASSI !   87!
   (( segid "    " and resid 35   and name HD2 ))
   (( segid "    " and resid 34   and name HB1 ))
      3.100     1.200     1.200 peak    87 spectrum    1 weight  0.10000E+01 volume  0.12635E-02 ppm1      3.566 ppm2      1.645 CV     1
 ASSI !   89!
   (( segid "    " and resid 35   and name HD1 ))
   (( segid "    " and resid 34   and name HB2 ))
      4.500     2.500     1.500 peak    89 spectrum    1 weight  0.10000E+01 volume  0.14650E-02 ppm1      3.863 ppm2      1.519 CV     1
 ASSI !   90!
   (( segid "    " and resid 35   and name HD2 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.400     1.500     1.500 peak    90 spectrum    1 weight  0.10000E+01 volume  0.33610E-02 ppm1      3.569 ppm2      1.516 CV     1
 ASSI !   93!
   (( segid "    " and resid 35   and name HD2 ))
   (  segid "    " and resid 34   and name HD2#)
      3.400     1.400     1.400 peak    93 spectrum    1 weight  0.10000E+01 volume  0.25660E-02 ppm1      3.572 ppm2      0.928 CV     1
 ASSI !   95!
   (( segid "    " and resid 33   and name HA2 ) or ( segid "    " and resid 33   and name HA1 ))
   (( segid "    " and resid 34   and name HN  ))
      2.600     0.800     0.800 peak    95 spectrum    1 weight  0.10000E+01 volume  0.67826E-02 ppm1      3.974 ppm2      8.144 CV     1
 ASSI !   96!
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      3.000     1.100     1.100 peak    96 spectrum    1 weight  0.10000E+01 volume  0.18500E-02 ppm1      4.600 ppm2      8.141 CV     1
 ASSI !   98!
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      2.900     1.000     1.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.18737E-02 ppm1      1.522 ppm2      8.147 CV     1
 ASSI !  100!
   (  segid "    " and resid 34   and name HD2#)
   (( segid "    " and resid 34   and name HN  ))
      4.700     2.700     1.300 peak   100 spectrum    1 weight  0.10000E+01 volume  0.64694E-03 ppm1      0.923 ppm2      8.150 CV     1
 ASSI !  101!
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 34   and name HN  ))
      3.200     1.300     1.300 peak   101 spectrum    1 weight  0.10000E+01 volume  0.21149E-02 ppm1      1.698 ppm2      8.141 CV     1
 ASSI !  105!
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      2.200     0.600     0.600 peak   105 spectrum    1 weight  0.10000E+01 volume  0.74354E-02 ppm1      2.235 ppm2      4.550 CV     1
 ASSI !  106!
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      2.800     1.000     1.000 peak   106 spectrum    1 weight  0.10000E+01 volume  0.56932E-02 ppm1      1.815 ppm2      4.547 CV     1
 ASSI !  107!
   (( segid "    " and resid 35  and name HG2 ) or ( segid "    " and resid 35  and name HG1 ))
   (( segid "    " and resid 35   and name HA  ))
      3.500     1.500     1.500 peak   107 spectrum    1 weight  0.10000E+01 volume  0.26991E-02 ppm1      1.950 ppm2      4.559 CV     1
 ASSI !  108!
   (  segid "    " and resid 36   and name HG2#)
   (( segid "    " and resid 35   and name HA  ))
      3.800     1.800     1.800 peak   108 spectrum    1 weight  0.10000E+01 volume  0.19676E-02 ppm1      1.199 ppm2      4.535 CV     1
 ASSI !  111!
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HB1 ))
      1.600     0.300     0.600 peak   111 spectrum    1 weight  0.10000E+01 volume  0.17276E-01 ppm1      1.821 ppm2      2.229 CV     1
 ASSI !  116!
   (( segid "    " and resid 35   and name HD1 ))
   (( segid "    " and resid 35   and name HB2 ))
      4.000     2.000     2.000 peak   116 spectrum    1 weight  0.10000E+01 volume  0.15503E-02 ppm1      3.872 ppm2      1.825 CV     1
 ASSI !  117!
   (( segid "    " and resid 35   and name HD2 ))
   (( segid "    " and resid 35   and name HB2 ))
      3.300     1.400     1.400 peak   117 spectrum    1 weight  0.10000E+01 volume  0.23154E-02 ppm1      3.572 ppm2      1.831 CV     1
 ASSI !  119!
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 35   and name HD1 ))
      3.800     1.800     1.800 peak   119 spectrum    1 weight  0.10000E+01 volume  0.15387E-02 ppm1      1.644 ppm2      3.863 CV     1
 ASSI !  121!
   (  segid "    " and resid 34   and name HD2#)
   (( segid "    " and resid 35   and name HD1 ))
      3.900     1.900     1.900 peak   121 spectrum    1 weight  0.10000E+01 volume  0.22725E-02 ppm1      0.926 ppm2      3.860 CV     1
 ASSI !  122!
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HD1 ))
      3.800     1.800     1.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.13092E-02 ppm1      2.232 ppm2      3.860 CV     1
 ASSI !  125!
   (( segid "    " and resid 35  and name HG2 ) or ( segid "    " and resid 35  and name HG1 ))
   (( segid "    " and resid 35   and name HD1 ))
      2.300     0.700     0.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.78179E-02 ppm1      1.950 ppm2      3.869 CV     1
 ASSI !  130!
   (( segid "    " and resid 34   and name HG  ))
   (( segid "    " and resid 35   and name HD2 ))
      4.600     2.600     1.400 peak   130 spectrum    1 weight  0.10000E+01 volume  0.47408E-03 ppm1      1.701 ppm2      3.566 CV     1
 ASSI !  131!
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HD2 ))
      4.600     2.600     1.400 peak   131 spectrum    1 weight  0.10000E+01 volume  0.70612E-03 ppm1      2.232 ppm2      3.569 CV     1
 ASSI !  134!
   (( segid "    " and resid 35  and name HG1 ) or ( segid "    " and resid 35  and name HG2 ))
   (( segid "    " and resid 35   and name HD2 ))
      2.400     0.700     0.700 peak   134 spectrum    1 weight  0.10000E+01 volume  0.67859E-02 ppm1      1.950 ppm2      3.569 CV     1
 ASSI !  135!
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35  and name HG2 ) or ( segid "    " and resid 35  and name HG1 ))
      4.800     2.900     1.200 peak   135 spectrum    1 weight  0.10000E+01 volume  0.11781E-02 ppm1      4.597 ppm2      1.951 CV     1
 ASSI !  137!
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35  and name HG2 ) or ( segid "    " and resid 35  and name HG1 ))
      2.200     0.600     0.600 peak   137 spectrum    1 weight  0.10000E+01 volume  0.10693E-01 ppm1      2.229 ppm2      1.954 CV     1
 ASSI !  141!
   (  segid "    " and resid 36   and name HG2#)
   (( segid "    " and resid 36   and name HB  ))
      2.000     0.500     0.500 peak   141 spectrum    1 weight  0.10000E+01 volume  0.25860E-01 ppm1      1.199 ppm2      4.445 CV     1
 ASSI !  143!
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 36   and name HB  ))
      4.700     2.800     1.300 peak   143 spectrum    1 weight  0.10000E+01 volume  0.92661E-03 ppm1      1.761 ppm2      4.445 CV     1
 ASSI !  144!
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 36   and name HB  ))
      3.900     1.900     1.900 peak   144 spectrum    1 weight  0.10000E+01 volume  0.47442E-03 ppm1      1.542 ppm2      4.448 CV     1
 ASSI !  145!
   (  segid "    " and resid 89   and name HD1#)
   (( segid "    " and resid 36   and name HB  ))
      3.400     1.400     1.400 peak   145 spectrum    1 weight  0.10000E+01 volume  0.26548E-02 ppm1      0.640 ppm2      4.439 CV     1
 ASSI !  146!
   (( segid "    " and resid 89   and name HG  ))
   (( segid "    " and resid 36   and name HB  ))
      4.400     2.400     1.600 peak   146 spectrum    1 weight  0.10000E+01 volume  0.41565E-03 ppm1      1.309 ppm2      4.451 CV     1
 ASSI !  148!
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 36   and name HG2#)
      2.700     0.900     0.900 peak   148 spectrum    1 weight  0.10000E+01 volume  0.49257E-02 ppm1      4.447 ppm2      1.200 CV     1
 ASSI !  150!
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.000     1.100     1.100 peak   150 spectrum    1 weight  0.10000E+01 volume  0.19768E-02 ppm1      4.551 ppm2      8.448 CV     1
 ASSI !  151!
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      4.400     2.400     1.600 peak   151 spectrum    1 weight  0.10000E+01 volume  0.42263E-03 ppm1      2.238 ppm2      8.447 CV     1
 ASSI !  152!
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      3.400     1.400     1.400 peak   152 spectrum    1 weight  0.10000E+01 volume  0.86129E-03 ppm1      1.815 ppm2      8.444 CV     1
 ASSI !  153!
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      3.800     1.800     1.800 peak   153 spectrum    1 weight  0.10000E+01 volume  0.49012E-03 ppm1      4.446 ppm2      8.443 CV     1
 ASSI !  154!
   (  segid "    " and resid 36   and name HG2#)
   (( segid "    " and resid 36   and name HN  ))
      3.900     1.900     1.900 peak   154 spectrum    1 weight  0.10000E+01 volume  0.10641E-02 ppm1      1.196 ppm2      8.453 CV     1
 ASSI !  156!
   (  segid "    " and resid 37   and name HG2#)
   (( segid "    " and resid 37   and name HA  ))
      2.400     0.700     0.700 peak   156 spectrum    1 weight  0.10000E+01 volume  0.79920E-02 ppm1      1.145 ppm2      5.230 CV     1
 ASSI !  157!
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      6.000     5.100     0.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.32747E-03 ppm1      2.151 ppm2      5.230 CV     1
 ASSI !  158!
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      4.900     3.000     1.100 peak   158 spectrum    1 weight  0.10000E+01 volume  0.58082E-03 ppm1      1.021 ppm2      5.227 CV     1
 ASSI !  159!
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 37   and name HA  ))
      2.500     0.800     0.800 peak   159 spectrum    1 weight  0.10000E+01 volume  0.42765E-02 ppm1      4.338 ppm2      5.231 CV     1
 ASSI !  160!
   (( segid "    " and resid 88  and name HB2 ) or ( segid "    " and resid 88  and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      4.400     2.400     1.600 peak   160 spectrum    1 weight  0.10000E+01 volume  0.10356E-02 ppm1      1.974 ppm2      5.239 CV     1
 ASSI !  161!
   (  segid "    " and resid 89   and name HD1#)
   (( segid "    " and resid 37   and name HA  ))
      4.000     2.000     2.000 peak   161 spectrum    1 weight  0.10000E+01 volume  0.60470E-03 ppm1      0.640 ppm2      5.242 CV     1
 ASSI !  162!
   (  segid "    " and resid 89   and name HD2#)
   (( segid "    " and resid 37   and name HA  ))
      4.300     2.300     1.700 peak   162 spectrum    1 weight  0.10000E+01 volume  0.86764E-03 ppm1      0.234 ppm2      5.227 CV     1
 ASSI !  164!
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HB  ))
      2.500     0.800     0.800 peak   164 spectrum    1 weight  0.10000E+01 volume  0.31741E-02 ppm1      5.232 ppm2      4.499 CV     1
 ASSI !  166!
   (  segid "    " and resid 37   and name HG2#)
   (( segid "    " and resid 37   and name HB  ))
      2.200     0.600     0.600 peak   166 spectrum    1 weight  0.10000E+01 volume  0.10409E-01 ppm1      1.142 ppm2      4.502 CV     1
 ASSI !  167!
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 37   and name HB  ))
      5.900     4.400     0.100 peak   167 spectrum    1 weight  0.10000E+01 volume  0.28327E-03 ppm1      2.154 ppm2      4.505 CV     1
 ASSI !  173!
   (( segid "    " and resid 88  and name HB2 ) or ( segid "    " and resid 88  and name HB1 ))
   (  segid "    " and resid 37   and name HG2#)
      4.000     2.000     2.000 peak   173 spectrum    1 weight  0.10000E+01 volume  0.18399E-02 ppm1      1.974 ppm2      1.150 CV     1
 ASSI !  174!
   (( segid "    " and resid 88   and name HG1 ))
   (  segid "    " and resid 37   and name HG2#)
      4.000     2.000     2.000 peak   174 spectrum    1 weight  0.10000E+01 volume  0.98792E-03 ppm1      2.367 ppm2      1.138 CV     1
 ASSI !  175!
   (( segid "    " and resid 88   and name HG2 ))
   (  segid "    " and resid 37   and name HG2#)
      3.300     1.400     1.400 peak   175 spectrum    1 weight  0.10000E+01 volume  0.16245E-02 ppm1      2.229 ppm2      1.141 CV     1
 ASSI !  176!
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      4.500     2.500     1.500 peak   176 spectrum    1 weight  0.10000E+01 volume  0.63120E-03 ppm1      4.547 ppm2      7.300 CV     1
 ASSI !  177!
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      4.000     2.000     2.000 peak   177 spectrum    1 weight  0.10000E+01 volume  0.87507E-03 ppm1      2.238 ppm2      7.305 CV     1
 ASSI !  178!
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.400     0.700     0.700 peak   178 spectrum    1 weight  0.10000E+01 volume  0.48746E-02 ppm1      1.818 ppm2      7.305 CV     1
 ASSI !  179!
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      2.700     0.900     0.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.41383E-02 ppm1      4.447 ppm2      7.300 CV     1
 ASSI !  180!
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 37   and name HN  ))
      4.000     2.000     2.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.86378E-03 ppm1      4.435 ppm2      7.302 CV     1
 ASSI !  181!
   (  segid "    " and resid 36   and name HG2#)
   (( segid "    " and resid 37   and name HN  ))
      3.600     1.600     1.600 peak   181 spectrum    1 weight  0.10000E+01 volume  0.24159E-02 ppm1      1.196 ppm2      7.302 CV     1
 ASSI !  182!
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.000     1.100     1.100 peak   182 spectrum    1 weight  0.10000E+01 volume  0.15878E-02 ppm1      5.236 ppm2      7.299 CV     1
 ASSI !  184!
   (  segid "    " and resid 37   and name HG2#)
   (( segid "    " and resid 37   and name HN  ))
      2.700     0.900     0.900 peak   184 spectrum    1 weight  0.10000E+01 volume  0.47018E-02 ppm1      1.148 ppm2      7.305 CV     1
 ASSI !  185!
   (  segid "    " and resid 89   and name HD1#)
   (( segid "    " and resid 37   and name HN  ))
      3.700     1.700     1.700 peak   185 spectrum    1 weight  0.10000E+01 volume  0.71489E-03 ppm1      0.640 ppm2      7.311 CV     1
 ASSI !  187!
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HA  ))
      2.600     0.900     0.900 peak   187 spectrum    1 weight  0.10000E+01 volume  0.18816E-02 ppm1      2.151 ppm2      3.827 CV     1
 ASSI !  188!
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
      2.700     0.900     0.900 peak   188 spectrum    1 weight  0.10000E+01 volume  0.25641E-02 ppm1      1.012 ppm2      3.827 CV     1
 ASSI !  189!
   (  segid "    " and resid 38   and name HD2#)
   (( segid "    " and resid 38   and name HA  ))
      2.000     0.500     0.500 peak   189 spectrum    1 weight  0.10000E+01 volume  0.95648E-02 ppm1      0.489 ppm2      3.833 CV     1
 ASSI !  191!
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 38   and name HA  ))
      2.500     0.800     0.800 peak   191 spectrum    1 weight  0.10000E+01 volume  0.14692E-02 ppm1      1.749 ppm2      3.830 CV     1
 ASSI !  192!
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 38   and name HA  ))
      3.900     1.900     1.900 peak   192 spectrum    1 weight  0.10000E+01 volume  0.12577E-02 ppm1      1.441 ppm2      3.824 CV     1
 ASSI !  193!
   (  segid "    " and resid 89   and name HD1#)
   (( segid "    " and resid 38   and name HA  ))
      3.200     1.300     1.300 peak   193 spectrum    1 weight  0.10000E+01 volume  0.18047E-02 ppm1      0.646 ppm2      3.830 CV     1
 ASSI !  194!
   (  segid "    " and resid 89   and name HD2#)
   (( segid "    " and resid 38   and name HA  ))
      2.700     0.900     0.900 peak   194 spectrum    1 weight  0.10000E+01 volume  0.53597E-02 ppm1      0.228 ppm2      3.833 CV     1
 ASSI !  196!
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HB1 ))
      1.600     0.300     0.600 peak   196 spectrum    1 weight  0.10000E+01 volume  0.66621E-02 ppm1      1.009 ppm2      2.154 CV     1
 ASSI !  197!
   (  segid "    " and resid 38   and name HD1#)
   (( segid "    " and resid 38   and name HB1 ))
      2.400     0.700     0.700 peak   197 spectrum    1 weight  0.10000E+01 volume  0.61936E-02 ppm1      0.848 ppm2      2.157 CV     1
 ASSI !  198!
   (  segid "    " and resid 38   and name HD2#)
   (( segid "    " and resid 38   and name HB1 ))
      2.600     0.800     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.23306E-02 ppm1      0.489 ppm2      2.154 CV     1
 ASSI !  199!
   (( segid "    " and resid 38   and name HG  ))
   (( segid "    " and resid 38   and name HB1 ))
      2.800     1.000     1.000 peak   199 spectrum    1 weight  0.10000E+01 volume  0.22263E-02 ppm1      1.417 ppm2      2.151 CV     1
 ASSI !  200!
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 38   and name HB1 ))
      4.700     2.800     1.300 peak   200 spectrum    1 weight  0.10000E+01 volume  0.37057E-03 ppm1      3.549 ppm2      2.158 CV     1
 ASSI !  205!
   (  segid "    " and resid 38   and name HD2#)
   (( segid "    " and resid 38   and name HB2 ))
      3.000     1.100     1.100 peak   205 spectrum    1 weight  0.10000E+01 volume  0.49078E-02 ppm1      0.481 ppm2      1.012 CV     1
 ASSI !  206!
   (  segid "    " and resid 89   and name HD2#)
   (( segid "    " and resid 38   and name HB2 ))
      3.400     1.400     1.400 peak   206 spectrum    1 weight  0.10000E+01 volume  0.44298E-02 ppm1      0.231 ppm2      1.006 CV     1
 ASSI !  208!
   (( segid "    " and resid 38   and name HB2 ))
   (  segid "    " and resid 38   and name HD1#)
      2.500     0.800     0.800 peak   208 spectrum    1 weight  0.10000E+01 volume  0.28765E-02 ppm1      1.015 ppm2      0.844 CV     1
 ASSI !  209!
   (  segid "    " and resid 38   and name HD2#)
   (  segid "    " and resid 38   and name HD1#)
      2.100     0.500     0.500 peak   209 spectrum    1 weight  0.10000E+01 volume  0.13298E-01 ppm1      0.489 ppm2      0.841 CV     1
 ASSI !  211!
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 38   and name HD1#)
      2.700     0.900     0.900 peak   211 spectrum    1 weight  0.10000E+01 volume  0.25690E-02 ppm1      2.187 ppm2      0.841 CV     1
 ASSI !  212!
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 38   and name HD1#)
      4.400     2.400     1.600 peak   212 spectrum    1 weight  0.10000E+01 volume  0.10358E-02 ppm1      1.731 ppm2      0.838 CV     1
 ASSI !  214!
   (  segid "    " and resid 89   and name HD2#)
   (  segid "    " and resid 38   and name HD1#)
      3.400     1.400     1.400 peak   214 spectrum    1 weight  0.10000E+01 volume  0.28792E-02 ppm1      0.228 ppm2      0.834 CV     1
 ASSI !  220!
   (( segid "    " and resid 41   and name HB1 ))
   (  segid "    " and resid 38   and name HD2#)
      3.700     1.700     1.700 peak   220 spectrum    1 weight  0.10000E+01 volume  0.65467E-03 ppm1      1.755 ppm2      0.493 CV     1
 ASSI !  221!
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 38   and name HD2#)
      5.100     3.300     0.900 peak   221 spectrum    1 weight  0.10000E+01 volume  0.53684E-03 ppm1      1.426 ppm2      0.499 CV     1
 ASSI !  222!
   (  segid "    " and resid 41   and name HD1#)
   (  segid "    " and resid 38   and name HD2#)
      3.400     1.500     1.500 peak   222 spectrum    1 weight  0.10000E+01 volume  0.19197E-02 ppm1      0.817 ppm2      0.490 CV     1
 ASSI !  224!
   (  segid "    " and resid 64   and name HD1#)
   (  segid "    " and resid 38   and name HD2#)
      2.100     0.500     0.500 peak   224 spectrum    1 weight  0.10000E+01 volume  0.10106E-01 ppm1      0.613 ppm2      0.502 CV     1
 ASSI !  225!
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HG  ))
      2.700     0.900     0.900 peak   225 spectrum    1 weight  0.10000E+01 volume  0.16746E-02 ppm1      3.836 ppm2      1.423 CV     1
 ASSI !  227!
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 38   and name HG  ))
      2.500     0.800     0.800 peak   227 spectrum    1 weight  0.10000E+01 volume  0.17973E-02 ppm1      1.018 ppm2      1.411 CV     1
 ASSI !  228!
   (  segid "    " and resid 38   and name HD1#)
   (( segid "    " and resid 38   and name HG  ))
      2.100     0.500     0.500 peak   228 spectrum    1 weight  0.10000E+01 volume  0.64088E-02 ppm1      0.839 ppm2      1.414 CV     1
 ASSI !  229!
   (  segid "    " and resid 38   and name HD2#)
   (( segid "    " and resid 38   and name HG  ))
      2.000     0.500     0.500 peak   229 spectrum    1 weight  0.10000E+01 volume  0.84210E-02 ppm1      0.486 ppm2      1.423 CV     1
 ASSI !  230!
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 38   and name HG  ))
      4.800     2.900     1.200 peak   230 spectrum    1 weight  0.10000E+01 volume  0.38512E-03 ppm1      2.448 ppm2      1.414 CV     1
 ASSI !  231!
   (  segid "    " and resid 89   and name HD2#)
   (( segid "    " and resid 38   and name HG  ))
      2.500     0.800     0.800 peak   231 spectrum    1 weight  0.10000E+01 volume  0.15755E-02 ppm1      0.228 ppm2      1.423 CV     1
 ASSI !  232!
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.000     0.500     0.500 peak   232 spectrum    1 weight  0.10000E+01 volume  0.65828E-02 ppm1      5.230 ppm2      9.068 CV     1
 ASSI !  234!
   (  segid "    " and resid 37   and name HG2#)
   (( segid "    " and resid 38   and name HN  ))
      3.700     1.800     1.800 peak   234 spectrum    1 weight  0.10000E+01 volume  0.31004E-02 ppm1      1.145 ppm2      9.068 CV     1
 ASSI !  236!
   (( segid "    " and resid 38   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      3.200     1.300     1.300 peak   236 spectrum    1 weight  0.10000E+01 volume  0.38694E-02 ppm1      2.154 ppm2      9.062 CV     1
 ASSI !  239!
   (  segid "    " and resid 38   and name HD2#)
   (( segid "    " and resid 38   and name HN  ))
      3.900     1.900     1.900 peak   239 spectrum    1 weight  0.10000E+01 volume  0.19852E-02 ppm1      0.492 ppm2      9.044 CV     1
 ASSI !  240!
   (( segid "    " and resid 38   and name HG  ))
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.000     1.000 peak   240 spectrum    1 weight  0.10000E+01 volume  0.85057E-03 ppm1      1.426 ppm2      9.080 CV     1
 ASSI !  242!
   (  segid "    " and resid 87   and name HG1#)
   (( segid "    " and resid 38   and name HN  ))
      2.700     0.900     0.900 peak   242 spectrum    1 weight  0.10000E+01 volume  0.10787E-02 ppm1      1.148 ppm2      9.062 CV     1
 ASSI !  249!
   (  segid "    " and resid 80   and name HD1#)
   (( segid "    " and resid 39   and name HA1 ))
      3.700     1.700     1.700 peak   249 spectrum    1 weight  0.10000E+01 volume  0.25781E-02 ppm1      0.703 ppm2      3.971 CV     1
 ASSI !  250!
   (  segid "    " and resid 80   and name HD2#)
   (( segid "    " and resid 39   and name HA1 ))
      5.400     3.700     0.600 peak   250 spectrum    1 weight  0.10000E+01 volume  0.45261E-03 ppm1      0.919 ppm2      3.977 CV     1
 ASSI !  251!
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 39   and name HA1 ))
      2.200     0.600     0.600 peak   251 spectrum    1 weight  0.10000E+01 volume  0.26294E-02 ppm1      3.554 ppm2      3.969 CV     1
 ASSI !  252!
   (( segid "    " and resid 85  and name HB1 ) or ( segid "    " and resid 85  and name HB2 ))
   (( segid "    " and resid 39   and name HA1 ))
      3.800     1.800     1.800 peak   252 spectrum    1 weight  0.10000E+01 volume  0.16449E-02 ppm1      1.839 ppm2      3.968 CV     1
 ASSI !  253!
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 39   and name HA1 ))
      5.100     3.200     0.900 peak   253 spectrum    1 weight  0.10000E+01 volume  0.47006E-03 ppm1      1.647 ppm2      3.974 CV     1
 ASSI !  254!
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 39   and name HA1 ))
      3.400     1.500     1.500 peak   254 spectrum    1 weight  0.10000E+01 volume  0.10177E-02 ppm1      1.324 ppm2      3.974 CV     1
 ASSI !  257!
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 39   and name HA2 ))
      4.200     2.200     1.800 peak   257 spectrum    1 weight  0.10000E+01 volume  0.63054E-03 ppm1      2.460 ppm2      3.767 CV     1
 ASSI !  258!
   (  segid "    " and resid 80   and name HD1#)
   (( segid "    " and resid 39   and name HA2 ))
      2.300     0.700     0.700 peak   258 spectrum    1 weight  0.10000E+01 volume  0.42346E-02 ppm1      0.706 ppm2      3.764 CV     1
 ASSI !  259!
   (  segid "    " and resid 80   and name HD2#)
   (( segid "    " and resid 39   and name HA2 ))
      4.500     2.500     1.500 peak   259 spectrum    1 weight  0.10000E+01 volume  0.55565E-03 ppm1      0.911 ppm2      3.776 CV     1
 ASSI !  264!
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      3.300     1.400     1.400 peak   264 spectrum    1 weight  0.10000E+01 volume  0.72876E-03 ppm1      3.821 ppm2      8.744 CV     1
 ASSI !  268!
   (  segid "    " and resid 38   and name HD2#)
   (( segid "    " and resid 39   and name HN  ))
      4.800     2.800     1.200 peak   268 spectrum    1 weight  0.10000E+01 volume  0.66646E-03 ppm1      0.486 ppm2      8.756 CV     1
 ASSI !  274!
   (( segid "    " and resid 85  and name HB1 ) or ( segid "    " and resid 85  and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
      4.600     2.600     1.400 peak   274 spectrum    1 weight  0.10000E+01 volume  0.10691E-02 ppm1      1.842 ppm2      8.747 CV     1
 ASSI !  275!
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 39   and name HN  ))
      5.300     3.500     0.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.46362E-03 ppm1      1.647 ppm2      8.741 CV     1
 ASSI !  277!
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      4.500     2.600     1.500 peak   277 spectrum    1 weight  0.10000E+01 volume  0.43176E-03 ppm1      4.885 ppm2      8.753 CV     1
 ASSI !  278!
   (( segid "    " and resid 40  and name HB1 ) or ( segid "    " and resid 40  and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      2.400     0.700     0.700 peak   278 spectrum    1 weight  0.10000E+01 volume  0.60134E-02 ppm1      1.818 ppm2      4.241 CV     1
 ASSI !  279!
   (( segid "    " and resid 40   and name HG1 ))
   (( segid "    " and resid 40   and name HA  ))
      3.600     1.700     1.700 peak   279 spectrum    1 weight  0.10000E+01 volume  0.18040E-02 ppm1      1.539 ppm2      4.241 CV     1
 ASSI !  280!
   (( segid "    " and resid 40   and name HG2 ))
   (( segid "    " and resid 40   and name HA  ))
      2.800     1.000     1.000 peak   280 spectrum    1 weight  0.10000E+01 volume  0.32417E-02 ppm1      1.441 ppm2      4.238 CV     1
 ASSI !  281!
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 40   and name HA  ))
      3.000     1.100     1.100 peak   281 spectrum    1 weight  0.10000E+01 volume  0.14161E-02 ppm1      2.163 ppm2      4.238 CV     1
 ASSI !  282!
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      3.100     1.200     1.200 peak   282 spectrum    1 weight  0.10000E+01 volume  0.16629E-02 ppm1      2.097 ppm2      4.238 CV     1
 ASSI !  284!
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 40  and name HB2 ) or ( segid "    " and resid 40  and name HB1 ))
      3.300     1.300     1.300 peak   284 spectrum    1 weight  0.10000E+01 volume  0.21094E-02 ppm1      4.067 ppm2      1.822 CV     1
 ASSI !  285!
   (( segid "    " and resid 40  and name HB1 ) or ( segid "    " and resid 40  and name HB2 ))
   (( segid "    " and resid 40  and name HE1 ) or ( segid "    " and resid 40  and name HE2 ))
      4.000     2.000     2.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.14744E-02 ppm1      1.815 ppm2      2.994 CV     1
 ASSI !  288!
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 40   and name HN  ))
      2.800     0.900     0.900 peak   288 spectrum    1 weight  0.10000E+01 volume  0.17578E-02 ppm1      3.965 ppm2      7.347 CV     1
 ASSI !  292!
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HA  ))
      3.300     1.400     1.400 peak   292 spectrum    1 weight  0.10000E+01 volume  0.15849E-02 ppm1      1.758 ppm2      4.058 CV     1
 ASSI !  293!
   (  segid "    " and resid 41   and name HD1#)
   (( segid "    " and resid 41   and name HA  ))
      4.300     2.300     1.700 peak   293 spectrum    1 weight  0.10000E+01 volume  0.10047E-02 ppm1      0.814 ppm2      4.061 CV     1
 ASSI !  294!
   (  segid "    " and resid 41   and name HD2#)
   (( segid "    " and resid 41   and name HA  ))
      2.800     1.000     1.000 peak   294 spectrum    1 weight  0.10000E+01 volume  0.98252E-02 ppm1      0.914 ppm2      4.061 CV     1
 ASSI !  296!
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 41   and name HA  ))
      3.400     1.500     1.500 peak   296 spectrum    1 weight  0.10000E+01 volume  0.96092E-03 ppm1      1.866 ppm2      4.055 CV     1
 ASSI !  297!
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 41   and name HA  ))
      3.100     1.200     1.200 peak   297 spectrum    1 weight  0.10000E+01 volume  0.11430E-02 ppm1      1.620 ppm2      4.055 CV     1
 ASSI !  300!
   (  segid "    " and resid 89   and name HD2#)
   (( segid "    " and resid 41   and name HB1 ))
      2.900     1.100     1.100 peak   300 spectrum    1 weight  0.10000E+01 volume  0.36750E-02 ppm1      0.231 ppm2      1.756 CV     1
 ASSI !  301!
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.700     0.900     0.900 peak   301 spectrum    1 weight  0.10000E+01 volume  0.21557E-02 ppm1      4.058 ppm2      1.426 CV     1
 ASSI !  303!
   (  segid "    " and resid 41   and name HD2#)
   (( segid "    " and resid 41   and name HB2 ))
      2.700     0.900     0.900 peak   303 spectrum    1 weight  0.10000E+01 volume  0.10688E-01 ppm1      0.911 ppm2      1.438 CV     1
 ASSI !  306!
   (( segid "    " and resid 44   and name HB2 ))
   (  segid "    " and resid 41   and name HD1#)
      5.100     3.200     0.900 peak   306 spectrum    1 weight  0.10000E+01 volume  0.38607E-03 ppm1      1.629 ppm2      0.820 CV     1
 ASSI !  308!
   (( segid "    " and resid 93   and name HG1 ) or ( segid "    " and resid 93  and name HG2 ))
   (  segid "    " and resid 41   and name HD1#)
      3.000     1.100     1.100 peak   308 spectrum    1 weight  0.10000E+01 volume  0.28659E-02 ppm1      2.430 ppm2      0.814 CV     1
 ASSI !  310!
   (( segid "    " and resid 41   and name HB1 ))
   (  segid "    " and resid 41   and name HD2#)
      2.200     0.600     0.600 peak   310 spectrum    1 weight  0.10000E+01 volume  0.37687E-02 ppm1      1.746 ppm2      0.922 CV     1
 ASSI !  312!
   (( segid "    " and resid 44   and name HB1 ))
   (  segid "    " and resid 41   and name HD2#)
      3.900     1.900     1.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.13034E-02 ppm1      1.863 ppm2      0.919 CV     1
 ASSI !  313!
   (( segid "    " and resid 44   and name HB2 ))
   (  segid "    " and resid 41   and name HD2#)
      4.100     2.100     1.900 peak   313 spectrum    1 weight  0.10000E+01 volume  0.15254E-02 ppm1      1.626 ppm2      0.916 CV     1
 ASSI !  314!
   (( segid "    " and resid 93   and name HG1 ) or ( segid "    " and resid 93  and name HG2 ))
   (  segid "    " and resid 41   and name HD2#)
      2.900     1.100     1.100 peak   314 spectrum    1 weight  0.10000E+01 volume  0.17310E-02 ppm1      2.433 ppm2      0.922 CV     1
 ASSI !  315!
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HG  ))
      2.700     0.900     0.900 peak   315 spectrum    1 weight  0.10000E+01 volume  0.22445E-02 ppm1      4.064 ppm2      1.624 CV     1
 ASSI !  316!
   (  segid "    " and resid 41   and name HD1#)
   (( segid "    " and resid 41   and name HG  ))
      2.400     0.700     0.700 peak   316 spectrum    1 weight  0.10000E+01 volume  0.40832E-02 ppm1      0.820 ppm2      1.621 CV     1
 ASSI !  317!
   (  segid "    " and resid 41   and name HD2#)
   (( segid "    " and resid 41   and name HG  ))
      2.000     0.500     0.500 peak   317 spectrum    1 weight  0.10000E+01 volume  0.97205E-02 ppm1      0.911 ppm2      1.618 CV     1
 ASSI !  319!
   (  segid "    " and resid 38   and name HD2#)
   (( segid "    " and resid 41   and name HN  ))
      5.000     3.100     1.000 peak   319 spectrum    1 weight  0.10000E+01 volume  0.60869E-03 ppm1      0.486 ppm2      8.037 CV     1
 ASSI !  320!
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      3.400     1.500     1.500 peak   320 spectrum    1 weight  0.10000E+01 volume  0.13659E-02 ppm1      4.251 ppm2      8.031 CV     1
 ASSI !  321!
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.800     1.000     1.000 peak   321 spectrum    1 weight  0.10000E+01 volume  0.25551E-02 ppm1      4.066 ppm2      8.033 CV     1
 ASSI !  322!
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      2.400     0.700     0.700 peak   322 spectrum    1 weight  0.10000E+01 volume  0.38766E-02 ppm1      1.755 ppm2      8.037 CV     1
 ASSI !  328!
   (  segid "    " and resid 38   and name HD2#)
   (( segid "    " and resid 42   and name HA  ))
      4.400     2.400     1.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.67950E-03 ppm1      0.495 ppm2      4.055 CV     1
 ASSI !  330!
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name HA  ))
      3.300     1.400     1.400 peak   330 spectrum    1 weight  0.10000E+01 volume  0.20155E-02 ppm1      2.709 ppm2      4.040 CV     1
 ASSI !  333!
   (  segid "    " and resid 45   and name HD1#)
   (( segid "    " and resid 42   and name HA  ))
      3.000     1.200     1.200 peak   333 spectrum    1 weight  0.10000E+01 volume  0.30488E-02 ppm1      0.943 ppm2      4.046 CV     1
 ASSI !  334!
   (  segid "    " and resid 62   and name HE# )
   (( segid "    " and resid 42   and name HA  ))
      2.300     0.600     0.600 peak   334 spectrum    1 weight  0.10000E+01 volume  0.68037E-02 ppm1      1.999 ppm2      4.044 CV     1
 ASSI !  335!
   (  segid "    " and resid 64   and name HD1#)
   (( segid "    " and resid 42   and name HA  ))
      4.300     2.300     1.700 peak   335 spectrum    1 weight  0.10000E+01 volume  0.52741E-03 ppm1      0.616 ppm2      4.043 CV     1
 ASSI !  336!
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 42   and name HB1 ))
      4.600     2.600     1.400 peak   336 spectrum    1 weight  0.10000E+01 volume  0.49115E-03 ppm1      3.974 ppm2      2.706 CV     1
 ASSI !  337!
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 42   and name HB1 ))
      3.100     1.200     1.200 peak   337 spectrum    1 weight  0.10000E+01 volume  0.92192E-03 ppm1      3.770 ppm2      2.709 CV     1
 ASSI !  340!
   (  segid "    " and resid 80   and name HD1#)
   (( segid "    " and resid 42   and name HB1 ))
      2.900     1.000     1.000 peak   340 spectrum    1 weight  0.10000E+01 volume  0.15574E-02 ppm1      0.703 ppm2      2.706 CV     1
 ASSI !  341!
   (  segid "    " and resid 38   and name HD2#)
   (( segid "    " and resid 42   and name HB2 ))
      3.400     1.500     1.500 peak   341 spectrum    1 weight  0.10000E+01 volume  0.82216E-03 ppm1      0.489 ppm2      2.445 CV     1
 ASSI !  343!
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HB2 ))
      2.400     0.700     0.700 peak   343 spectrum    1 weight  0.10000E+01 volume  0.36099E-02 ppm1      4.046 ppm2      2.454 CV     1
 ASSI !  345!
   (  segid "    " and resid 80   and name HD1#)
   (( segid "    " and resid 42   and name HB2 ))
      3.200     1.300     1.300 peak   345 spectrum    1 weight  0.10000E+01 volume  0.18416E-02 ppm1      0.706 ppm2      2.460 CV     1
 ASSI !  346!
   (  segid "    " and resid 80   and name HD2#)
   (( segid "    " and resid 42   and name HB2 ))
      2.800     2.800     3.200 peak   346 spectrum    1 weight  0.10000E+01 volume  0.85651E-03 ppm1      0.914 ppm2      2.460 CV     1
 ASSI !  347!
   (( segid "    " and resid 38   and name HG  ))
   (( segid "    " and resid 42   and name HN  ))
      4.600     2.700     1.400 peak   347 spectrum    1 weight  0.10000E+01 volume  0.58473E-03 ppm1      1.429 ppm2      9.026 CV     1
 ASSI !  351!
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      2.400     0.700     0.700 peak   351 spectrum    1 weight  0.10000E+01 volume  0.25248E-02 ppm1      1.752 ppm2      9.023 CV     1
 ASSI !  355!
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.600     0.900     0.900 peak   355 spectrum    1 weight  0.10000E+01 volume  0.35508E-02 ppm1      4.052 ppm2      9.020 CV     1
 ASSI !  358!
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      5.600     3.900     0.400 peak   358 spectrum    1 weight  0.10000E+01 volume  0.24796E-03 ppm1      2.172 ppm2      9.026 CV     1
 ASSI !  359!
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      5.200     3.400     0.800 peak   359 spectrum    1 weight  0.10000E+01 volume  0.40986E-03 ppm1      2.094 ppm2      9.029 CV     1
 ASSI !  360!
   (  segid "    " and resid 45   and name HD1#)
   (( segid "    " and resid 42   and name HN  ))
      3.100     3.100     2.900 peak   360 spectrum    1 weight  0.10000E+01 volume  0.47076E-03 ppm1      0.940 ppm2      9.026 CV     1
 ASSI !  361!
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
      2.900     1.000     1.000 peak   361 spectrum    1 weight  0.10000E+01 volume  0.56861E-02 ppm1      2.169 ppm2      3.866 CV     1
 ASSI !  362!
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   362 spectrum    1 weight  0.10000E+01 volume  0.41128E-02 ppm1      2.094 ppm2      3.863 CV     1
 ASSI !  363!
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 43   and name HA  ))
      2.600     0.800     0.800 peak   363 spectrum    1 weight  0.10000E+01 volume  0.46927E-02 ppm1      2.397 ppm2      3.863 CV     1
 ASSI !  368!
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HG1 ))
      2.500     0.800     0.800 peak   368 spectrum    1 weight  0.10000E+01 volume  0.11204E-01 ppm1      2.172 ppm2      2.397 CV     1
 ASSI !  369!
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HG1 ))
      2.200     0.600     0.600 peak   369 spectrum    1 weight  0.10000E+01 volume  0.98837E-02 ppm1      2.094 ppm2      2.388 CV     1
 ASSI !  370!
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
      4.100     2.100     1.900 peak   370 spectrum    1 weight  0.10000E+01 volume  0.18535E-02 ppm1      4.238 ppm2      2.172 CV     1
 ASSI !  371!
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HG2 ))
      2.800     1.000     1.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.71900E-02 ppm1      3.869 ppm2      2.169 CV     1
 ASSI !  372!
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.200     1.300     1.300 peak   372 spectrum    1 weight  0.10000E+01 volume  0.16955E-02 ppm1      4.241 ppm2      7.255 CV     1
 ASSI !  373!
   (  segid "    " and resid 41   and name HD2#)
   (( segid "    " and resid 43   and name HN  ))
      4.000     2.000     2.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.11417E-02 ppm1      0.914 ppm2      7.233 CV     1
 ASSI !  374!
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.300     1.300     1.300 peak   374 spectrum    1 weight  0.10000E+01 volume  0.13762E-02 ppm1      4.040 ppm2      7.251 CV     1
 ASSI !  378!
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
      2.300     0.700     0.700 peak   378 spectrum    1 weight  0.10000E+01 volume  0.81548E-02 ppm1      2.160 ppm2      7.254 CV     1
 ASSI !  379!
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      2.200     0.600     0.600 peak   379 spectrum    1 weight  0.10000E+01 volume  0.85742E-02 ppm1      2.091 ppm2      7.251 CV     1
 ASSI !  380!
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 43   and name HN  ))
      3.900     1.900     1.900 peak   380 spectrum    1 weight  0.10000E+01 volume  0.30558E-02 ppm1      2.400 ppm2      7.254 CV     1
 ASSI !  381!
   (( segid "    " and resid 43   and name HG2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.600     1.600     1.600 peak   381 spectrum    1 weight  0.10000E+01 volume  0.54307E-02 ppm1      2.169 ppm2      7.251 CV     1
 ASSI !  383!
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 44   and name HA  ))
      2.800     1.000     1.000 peak   383 spectrum    1 weight  0.10000E+01 volume  0.39269E-02 ppm1      1.866 ppm2      3.920 CV     1
 ASSI !  384!
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
      2.700     0.900     0.900 peak   384 spectrum    1 weight  0.10000E+01 volume  0.26089E-02 ppm1      1.629 ppm2      3.914 CV     1
 ASSI !  385!
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 44   and name HA  ))
      3.200     1.300     1.300 peak   385 spectrum    1 weight  0.10000E+01 volume  0.19240E-02 ppm1      3.137 ppm2      3.920 CV     1
 ASSI !  386!
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HA  ))
      4.000     2.000     2.000 peak   386 spectrum    1 weight  0.10000E+01 volume  0.89065E-03 ppm1      3.012 ppm2      3.914 CV     1
 ASSI !  387!
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 44   and name HA  ))
      3.100     1.200     1.200 peak   387 spectrum    1 weight  0.10000E+01 volume  0.22509E-02 ppm1      1.345 ppm2      3.923 CV     1
 ASSI !  388!
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 44   and name HA  ))
      3.200     1.300     1.300 peak   388 spectrum    1 weight  0.10000E+01 volume  0.14314E-02 ppm1      1.204 ppm2      3.920 CV     1
 ASSI !  389!
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 44   and name HA  ))
      3.700     1.700     1.700 peak   389 spectrum    1 weight  0.10000E+01 volume  0.31581E-02 ppm1      2.964 ppm2      3.920 CV     1
 ASSI !  390!
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 44   and name HA  ))
      2.600     0.900     0.900 peak   390 spectrum    1 weight  0.10000E+01 volume  0.26103E-02 ppm1      2.865 ppm2      3.920 CV     1
 ASSI !  392!
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HB1 ))
      1.600     0.300     0.600 peak   392 spectrum    1 weight  0.10000E+01 volume  0.10895E-01 ppm1      1.623 ppm2      1.861 CV     1
 ASSI !  393!
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 44   and name HB1 ))
      3.700     1.700     1.700 peak   393 spectrum    1 weight  0.10000E+01 volume  0.94510E-03 ppm1      3.143 ppm2      1.861 CV     1
 ASSI !  394!
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HB1 ))
      3.500     1.500     1.500 peak   394 spectrum    1 weight  0.10000E+01 volume  0.88596E-03 ppm1      3.012 ppm2      1.867 CV     1
! ASSI !  395!
!   (  segid "    " and resid 45   and name HD2#)
!   (( segid "    " and resid 44   and name HB1 ))
!      1.900     0.400     0.400 peak   395 spectrum    1 weight  0.10000E+01 volume  0.15335E-01 ppm1      0.911 ppm2      1.867 CV     1
 ASSI !  398!
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 44   and name HB2 ))
      3.800     1.800     1.800 peak   398 spectrum    1 weight  0.10000E+01 volume  0.10358E-02 ppm1      3.143 ppm2      1.630 CV     1
 ASSI !  399!
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HB2 ))
      3.600     1.600     1.600 peak   399 spectrum    1 weight  0.10000E+01 volume  0.13430E-02 ppm1      3.009 ppm2      1.630 CV     1
 ASSI !  405!
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 44   and name HD1 ))
      2.900     1.000     1.000 peak   405 spectrum    1 weight  0.10000E+01 volume  0.24704E-02 ppm1      1.204 ppm2      3.144 CV     1
 ASSI !  409!
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 44   and name HD2 ))
      2.800     1.000     1.000 peak   409 spectrum    1 weight  0.10000E+01 volume  0.29368E-02 ppm1      1.345 ppm2      3.006 CV     1
 ASSI !  412!
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 44   and name HG1 ))
      2.900     1.000     1.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.23579E-02 ppm1      1.857 ppm2      1.342 CV     1
 ASSI !  413!
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HG1 ))
      2.600     0.800     0.800 peak   413 spectrum    1 weight  0.10000E+01 volume  0.35177E-02 ppm1      1.629 ppm2      1.339 CV     1
 ASSI !  414!
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 44   and name HG1 ))
      2.700     0.900     0.900 peak   414 spectrum    1 weight  0.10000E+01 volume  0.25020E-02 ppm1      3.143 ppm2      1.336 CV     1
 ASSI !  418!
   (( segid "    " and resid 44   and name HB1 ))
   (( segid "    " and resid 44   and name HG2 ))
      2.900     1.100     1.100 peak   418 spectrum    1 weight  0.10000E+01 volume  0.18573E-02 ppm1      1.857 ppm2      1.213 CV     1
 ASSI !  419!
   (( segid "    " and resid 44   and name HB2 ))
   (( segid "    " and resid 44   and name HG2 ))
      2.900     1.100     1.100 peak   419 spectrum    1 weight  0.10000E+01 volume  0.23081E-02 ppm1      1.623 ppm2      1.210 CV     1
 ASSI !  421!
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HG2 ))
      2.800     0.900     0.900 peak   421 spectrum    1 weight  0.10000E+01 volume  0.24414E-02 ppm1      3.015 ppm2      1.207 CV     1
 ASSI !  424!
   (  segid "    " and resid 41   and name HD1#)
   (( segid "    " and resid 44   and name HN  ))
      5.500     3.700     0.500 peak   424 spectrum    1 weight  0.10000E+01 volume  0.34908E-03 ppm1      0.820 ppm2      7.239 CV     1
 ASSI !  428!
   (( segid "    " and resid 44   and name HD1 ))
   (( segid "    " and resid 44   and name HN  ))
      5.000     3.100     1.000 peak   428 spectrum    1 weight  0.10000E+01 volume  0.62730E-03 ppm1      3.137 ppm2      7.233 CV     1
 ASSI !  429!
   (( segid "    " and resid 44   and name HD2 ))
   (( segid "    " and resid 44   and name HN  ))
      5.500     3.700     0.500 peak   429 spectrum    1 weight  0.10000E+01 volume  0.38841E-03 ppm1      3.018 ppm2      7.233 CV     1
 ASSI !  430!
   (( segid "    " and resid 44   and name HG1 ))
   (( segid "    " and resid 44   and name HN  ))
      4.100     2.100     1.900 peak   430 spectrum    1 weight  0.10000E+01 volume  0.17082E-02 ppm1      1.342 ppm2      7.233 CV     1
 ASSI !  432!
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 44   and name HN  ))
      4.800     2.900     1.200 peak   432 spectrum    1 weight  0.10000E+01 volume  0.28574E-03 ppm1      1.809 ppm2      7.236 CV     1
 ASSI !  434!
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HA  ))
      2.700     0.900     0.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.15272E-02 ppm1      1.926 ppm2      3.812 CV     1
 ASSI !  435!
   (  segid "    " and resid 45   and name HD1#)
   (( segid "    " and resid 45   and name HA  ))
      4.200     2.200     1.800 peak   435 spectrum    1 weight  0.10000E+01 volume  0.13340E-02 ppm1      0.940 ppm2      3.815 CV     1
 ASSI !  436!
   (  segid "    " and resid 45   and name HD2#)
   (( segid "    " and resid 45   and name HA  ))
      2.100     0.600     0.600 peak   436 spectrum    1 weight  0.10000E+01 volume  0.95868E-02 ppm1      0.917 ppm2      3.812 CV     1
 ASSI !  437!
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HA  ))
      3.600     1.600     1.600 peak   437 spectrum    1 weight  0.10000E+01 volume  0.13911E-02 ppm1      1.803 ppm2      3.812 CV     1
 ASSI !  439!
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      3.100     1.200     1.200 peak   439 spectrum    1 weight  0.10000E+01 volume  0.88305E-03 ppm1      3.284 ppm2      3.809 CV     1
 ASSI !  441!
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      3.900     1.900     1.900 peak   441 spectrum    1 weight  0.10000E+01 volume  0.20245E-02 ppm1      4.043 ppm2      1.933 CV     1
 ASSI !  444!
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HB1 ))
      1.700     0.400     0.500 peak   444 spectrum    1 weight  0.10000E+01 volume  0.62788E-02 ppm1      1.453 ppm2      1.927 CV     1
 ASSI !  445!
   (  segid "    " and resid 45   and name HD2#)
   (( segid "    " and resid 45   and name HB1 ))
      2.300     0.700     0.700 peak   445 spectrum    1 weight  0.10000E+01 volume  0.81693E-02 ppm1      0.914 ppm2      1.930 CV     1
 ASSI !  446!
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.100     1.200     1.200 peak   446 spectrum    1 weight  0.10000E+01 volume  0.10618E-02 ppm1      4.043 ppm2      1.444 CV     1
 ASSI !  447!
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.100     1.200     1.200 peak   447 spectrum    1 weight  0.10000E+01 volume  0.20095E-02 ppm1      3.809 ppm2      1.447 CV     1
 ASSI !  450!
   (( segid "    " and resid 45   and name HB1 ))
   ((  segid "    " and resid 45   and name HD1#) or (  segid "    " and resid 45   and name HD2#))
      2.500     0.800     0.800 peak   450 spectrum    1 weight  0.10000E+01 volume  0.36313E-02 ppm1      1.926 ppm2      0.928 CV     1

   
 ASSI !  451!
   (  segid "    " and resid 93   and name HE# )
   (( segid "    " and resid 45   and name HD2#) or (  segid "    " and resid 45   and name HD1#))
      2.200     0.600     0.600 peak   451 spectrum    1 weight  0.10000E+01 volume  0.11386E-01 ppm1      1.875 ppm2      0.919 CV     1

 ASSI !  453!
   (( segid "    " and resid 48   and name HB1 ))
   (  segid "    " and resid 45   and name HD1#)
      5.300     3.500     0.700 peak   453 spectrum    1 weight  0.10000E+01 volume  0.37860E-03 ppm1      3.410 ppm2      0.934 CV     1
 ASSI !  454!
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 45   and name HD1#)
      5.200     3.400     0.800 peak   454 spectrum    1 weight  0.10000E+01 volume  0.44343E-03 ppm1      3.281 ppm2      0.931 CV     1
 ASSI !  455!
   (  segid "    " and resid 62   and name HE# )
   (  segid "    " and resid 45   and name HD1#)
      2.100     0.500     0.500 peak   455 spectrum    1 weight  0.10000E+01 volume  0.14401E-01 ppm1      1.996 ppm2      0.930 CV     1
 ASSI !  456!
   (  segid "    " and resid 64   and name HD1#)
   (  segid "    " and resid 45   and name HD1#)
      2.400     0.700     0.700 peak   456 spectrum    1 weight  0.10000E+01 volume  0.78474E-02 ppm1      0.619 ppm2      0.934 CV     1
 ASSI !  458!
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
      3.100     1.200     1.200 peak   458 spectrum    1 weight  0.10000E+01 volume  0.69483E-03 ppm1      4.046 ppm2      1.804 CV     1
 ASSI !  460!
   (  segid "    " and resid 45   and name HD1#)
   (( segid "    " and resid 45   and name HG  ))
      2.100     0.600     0.600 peak   460 spectrum    1 weight  0.10000E+01 volume  0.64956E-02 ppm1      0.940 ppm2      1.810 CV     1
 ASSI !  461!
   (  segid "    " and resid 45   and name HD2#)
   (( segid "    " and resid 45   and name HG  ))
      1.900     0.500     0.500 peak   461 spectrum    1 weight  0.10000E+01 volume  0.14050E-01 ppm1      0.908 ppm2      1.801 CV     1
 ASSI !  462!
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      4.100     2.100     1.900 peak   462 spectrum    1 weight  0.10000E+01 volume  0.61309E-03 ppm1      4.062 ppm2      8.735 CV     1
 ASSI !  469!
   (( segid "    " and resid 44   and name HG2 ))
   (( segid "    " and resid 45   and name HN  ))
      4.400     2.400     1.600 peak   469 spectrum    1 weight  0.10000E+01 volume  0.69753E-03 ppm1      1.216 ppm2      8.738 CV     1
 ASSI !  470!
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.700     0.900     0.900 peak   470 spectrum    1 weight  0.10000E+01 volume  0.23058E-02 ppm1      3.809 ppm2      8.736 CV     1
 ASSI !  472!
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.500     0.800     0.800 peak   472 spectrum    1 weight  0.10000E+01 volume  0.27222E-02 ppm1      1.450 ppm2      8.729 CV     1
 ASSI !  474!
   (  segid "    " and resid 45   and name HD2#)
   (( segid "    " and resid 45   and name HN  ))
      2.600     0.800     0.800 peak   474 spectrum    1 weight  0.10000E+01 volume  0.44219E-02 ppm1      0.911 ppm2      8.726 CV     1
 ASSI !  476!
   (  segid "    " and resid 62   and name HE# )
   (( segid "    " and resid 45   and name HN  ))
      2.800     2.800     3.200 peak   476 spectrum    1 weight  0.10000E+01 volume  0.88907E-03 ppm1      2.013 ppm2      8.732 CV     1
 ASSI !  478!
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
      2.900     1.100     1.100 peak   478 spectrum    1 weight  0.10000E+01 volume  0.17250E-02 ppm1      1.929 ppm2      3.857 CV     1
 ASSI !  479!
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      2.700     0.900     0.900 peak   479 spectrum    1 weight  0.10000E+01 volume  0.41918E-02 ppm1      1.731 ppm2      3.857 CV     1
 ASSI !  480!
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46   and name HA  ))
      4.600     2.600     1.400 peak   480 spectrum    1 weight  0.10000E+01 volume  0.74350E-03 ppm1      3.296 ppm2      3.866 CV     1
 ASSI !  481!
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HA  ))
      4.600     2.600     1.400 peak   481 spectrum    1 weight  0.10000E+01 volume  0.11336E-02 ppm1      2.844 ppm2      3.872 CV     1
 ASSI !  482!
   (( segid "    " and resid 46  and name HG2 ) or ( segid "    " and resid 46  and name HG1 ))
   (( segid "    " and resid 46   and name HA  ))
      2.900     1.000     1.000 peak   482 spectrum    1 weight  0.10000E+01 volume  0.21333E-02 ppm1      1.411 ppm2      3.857 CV     1
 ASSI !  483!
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
      3.400     1.500     1.500 peak   483 spectrum    1 weight  0.10000E+01 volume  0.71862E-03 ppm1      1.051 ppm2      3.863 CV     1
 ASSI !  485!
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46   and name HB1 ))
      3.000     1.100     1.100 peak   485 spectrum    1 weight  0.10000E+01 volume  0.14418E-02 ppm1      3.302 ppm2      1.939 CV     1
 ASSI !  486!
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HB1 ))
      3.100     1.200     1.200 peak   486 spectrum    1 weight  0.10000E+01 volume  0.18334E-02 ppm1      2.850 ppm2      1.933 CV     1
 ASSI !  488!
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46   and name HB2 ))
      3.200     1.300     1.300 peak   488 spectrum    1 weight  0.10000E+01 volume  0.24085E-02 ppm1      3.305 ppm2      1.729 CV     1
 ASSI !  489!
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HB2 ))
      2.600     0.800     0.800 peak   489 spectrum    1 weight  0.10000E+01 volume  0.33682E-02 ppm1      2.853 ppm2      1.735 CV     1
 ASSI !  490!
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HD1 ))
      5.500     3.800     0.500 peak   490 spectrum    1 weight  0.10000E+01 volume  0.23185E-03 ppm1      3.875 ppm2      3.303 CV     1
 ASSI !  494!
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HD1 ))
      1.700     0.400     0.500 peak   494 spectrum    1 weight  0.10000E+01 volume  0.82524E-02 ppm1      2.853 ppm2      3.303 CV     1
 ASSI !  496!
   (  segid "    " and resid 76   and name HD2#)
   (( segid "    " and resid 46   and name HD1 ))
      3.400     1.500     1.500 peak   496 spectrum    1 weight  0.10000E+01 volume  0.12937E-02 ppm1      0.920 ppm2      3.297 CV     1
 ASSI !  497!
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HD2 ))
      3.600     1.600     1.600 peak   497 spectrum    1 weight  0.10000E+01 volume  0.54947E-03 ppm1      3.872 ppm2      2.856 CV     1
 ASSI !  502!
   (  segid "    " and resid 76   and name HD2#)
   (( segid "    " and resid 46   and name HD2 ))
      2.700     2.700     3.300 peak   502 spectrum    1 weight  0.10000E+01 volume  0.11273E-02 ppm1      0.917 ppm2      2.853 CV     1
 ASSI !  504!
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46   and name HE  ))
      3.200     1.300     1.300 peak   504 spectrum    1 weight  0.10000E+01 volume  0.10910E-02 ppm1      3.299 ppm2      9.539 CV     1
 ASSI !  505!
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46   and name HE  ))
      2.900     1.100     1.100 peak   505 spectrum    1 weight  0.10000E+01 volume  0.17725E-02 ppm1      2.844 ppm2      9.533 CV     1
 ASSI !  507!
   (  segid "    " and resid 62   and name HE# )
   (( segid "    " and resid 46   and name HE  ))
      3.200     1.300     1.300 peak   507 spectrum    1 weight  0.10000E+01 volume  0.12671E-02 ppm1      2.006 ppm2      9.533 CV     1
 ASSI !  508!
   (  segid "    " and resid 74   and name HG1#)
   (( segid "    " and resid 46   and name HE  ))
      3.600     1.700     1.700 peak   508 spectrum    1 weight  0.10000E+01 volume  0.11941E-02 ppm1      0.970 ppm2      9.530 CV     1
 ASSI !  509!
   (  segid "    " and resid 76   and name HD2#)
   (( segid "    " and resid 46   and name HE  ))
      3.000     1.100     1.100 peak   509 spectrum    1 weight  0.10000E+01 volume  0.11764E-02 ppm1      0.941 ppm2      9.530 CV     1
 ASSI !  511!
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46  and name HG1 ) or ( segid "    " and resid 46  and name HG2 ))
      2.900     1.100     1.100 peak   511 spectrum    1 weight  0.10000E+01 volume  0.17021E-02 ppm1      3.305 ppm2      1.417 CV     1
 ASSI !  512!
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46  and name HG2 ) or ( segid "    " and resid 46  and name HG1 ))
      2.900     1.100     1.100 peak   512 spectrum    1 weight  0.10000E+01 volume  0.19382E-02 ppm1      2.850 ppm2      1.414 CV     1
 ASSI !  513!
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46  and name HH12) or ( segid "    " and resid 46  and name HH11))
      3.200     1.300     1.300 peak   513 spectrum    1 weight  0.10000E+01 volume  0.79907E-03 ppm1      3.299 ppm2      6.588 CV     1
 ASSI !  514!
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46  and name HH12) or ( segid "    " and resid 46  and name HH11))
      4.000     2.000     2.000 peak   514 spectrum    1 weight  0.10000E+01 volume  0.33369E-03 ppm1      2.850 ppm2      6.588 CV     1
 ASSI !  515!
   (  segid "    " and resid 74   and name HG1#)
   (( segid "    " and resid 46  and name HH11) or ( segid "    " and resid 46  and name HH12))
      6.000     4.900     0.000 peak   515 spectrum    1 weight  0.10000E+01 volume  0.20268E-03 ppm1      0.974 ppm2      6.588 CV     1
 ASSI !  516!
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 46  and name HH11) or ( segid "    " and resid 46  and name HH12))
      4.500     2.600     1.500 peak   516 spectrum    1 weight  0.10000E+01 volume  0.39625E-03 ppm1      4.535 ppm2      6.588 CV     1
 ASSI !  517!
   (  segid "    " and resid 76   and name HD2#)
   (( segid "    " and resid 46  and name HH12) or ( segid "    " and resid 46  and name HH11))
      3.800     1.800     1.800 peak   517 spectrum    1 weight  0.10000E+01 volume  0.14098E-03 ppm1      0.923 ppm2      6.588 CV     1
 ASSI !  518!
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 46  and name HH11) or ( segid "    " and resid 46  and name HH12))
      3.800     1.800     1.800 peak   518 spectrum    1 weight  0.10000E+01 volume  0.35233E-03 ppm1      4.457 ppm2      6.579 CV     1
 ASSI !  519!
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 46  and name HH21) or ( segid "    " and resid 46  and name HH22))
      5.200     3.400     0.800 peak   519 spectrum    1 weight  0.10000E+01 volume  0.42188E-03 ppm1      3.305 ppm2      6.238 CV     1
 ASSI !  520!
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 46  and name HH21) or ( segid "    " and resid 46  and name HH22))
      5.500     3.800     0.500 peak   520 spectrum    1 weight  0.10000E+01 volume  0.28827E-03 ppm1      2.856 ppm2      6.226 CV     1
 ASSI !  521!
   (  segid "    " and resid 74   and name HG1#)
   (( segid "    " and resid 46  and name HH21) or ( segid "    " and resid 46  and name HH22))
      2.800     1.000     1.000 peak   521 spectrum    1 weight  0.10000E+01 volume  0.21405E-02 ppm1      0.977 ppm2      6.229 CV     1
 ASSI !  522!
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 46  and name HH21) or ( segid "    " and resid 46  and name HH22))
      3.900     1.900     1.900 peak   522 spectrum    1 weight  0.10000E+01 volume  0.32063E-03 ppm1      4.535 ppm2      6.223 CV     1
 ASSI !  523!
   (  segid "    " and resid 76   and name HD2#)
   (( segid "    " and resid 46  and name HH21) or ( segid "    " and resid 46  and name HH22))
      3.100     1.200     1.200 peak   523 spectrum    1 weight  0.10000E+01 volume  0.12525E-02 ppm1      0.934 ppm2      6.226 CV     1
 ASSI !  524!
   (( segid "    " and resid 79   and name HA  ))
   (( segid "    " and resid 46  and name HH22) or ( segid "    " and resid 46  and name HH21))
      3.900     1.900     1.900 peak   524 spectrum    1 weight  0.10000E+01 volume  0.32882E-03 ppm1      4.457 ppm2      6.229 CV     1
 ASSI !  525!
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.700     1.700     1.700 peak   525 spectrum    1 weight  0.10000E+01 volume  0.61629E-03 ppm1      4.049 ppm2      8.285 CV     1
 ASSI !  527!
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.400     1.400     1.400 peak   527 spectrum    1 weight  0.10000E+01 volume  0.10213E-02 ppm1      3.884 ppm2      8.282 CV     1
 ASSI !  528!
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      4.300     2.300     1.700 peak   528 spectrum    1 weight  0.10000E+01 volume  0.50901E-03 ppm1      3.918 ppm2      8.285 CV     1
 ASSI !  529!
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.400     1.400     1.400 peak   529 spectrum    1 weight  0.10000E+01 volume  0.11829E-02 ppm1      3.807 ppm2      8.287 CV     1
 ASSI !  530!
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
      3.800     1.800     1.800 peak   530 spectrum    1 weight  0.10000E+01 volume  0.12961E-02 ppm1      1.932 ppm2      8.279 CV     1
 ASSI !  531!
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      2.900     1.100     1.100 peak   531 spectrum    1 weight  0.10000E+01 volume  0.83292E-03 ppm1      1.453 ppm2      8.279 CV     1
 ASSI !  532!
   (  segid "    " and resid 45   and name HD1#)
   (( segid "    " and resid 46   and name HN  ))
      5.200     3.300     0.800 peak   532 spectrum    1 weight  0.10000E+01 volume  0.53402E-03 ppm1      0.934 ppm2      8.279 CV     1
 ASSI !  533!
   (  segid "    " and resid 45   and name HD2#)
   (( segid "    " and resid 46   and name HN  ))
      4.600     2.600     1.400 peak   533 spectrum    1 weight  0.10000E+01 volume  0.93758E-03 ppm1      0.911 ppm2      8.282 CV     1
 ASSI !  534!
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 46   and name HN  ))
      4.700     2.800     1.300 peak   534 spectrum    1 weight  0.10000E+01 volume  0.36623E-03 ppm1      1.794 ppm2      8.279 CV     1
 ASSI !  535!
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      2.700     0.900     0.900 peak   535 spectrum    1 weight  0.10000E+01 volume  0.27451E-02 ppm1      3.866 ppm2      8.285 CV     1
 ASSI !  541!
   (  segid "    " and resid 62   and name HE# )
   (( segid "    " and resid 46   and name HN  ))
      3.800     1.800     1.800 peak   541 spectrum    1 weight  0.10000E+01 volume  0.94132E-03 ppm1      2.004 ppm2      8.279 CV     1
 ASSI !  542!
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HA  ))
      2.400     0.700     0.700 peak   542 spectrum    1 weight  0.10000E+01 volume  0.62119E-02 ppm1      2.964 ppm2      4.460 CV     1
 ASSI !  543!
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.700     0.900     0.900 peak   543 spectrum    1 weight  0.10000E+01 volume  0.56151E-02 ppm1      2.868 ppm2      4.463 CV     1
 ASSI !  544!
   (( segid "    " and resid 50   and name HB1 ) or ( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.000     1.200     1.200 peak   544 spectrum    1 weight  0.10000E+01 volume  0.39371E-02 ppm1      1.932 ppm2      4.460 CV     1
 ASSI !  548!
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 47   and name HD21))
      4.600     2.600     1.400 peak   548 spectrum    1 weight  0.10000E+01 volume  0.53800E-03 ppm1      2.400 ppm2      7.461 CV     1
 ASSI !  550!
   (( segid "    " and resid 43   and name HG1 ))
   (( segid "    " and resid 47   and name HD22))
      4.200     2.200     1.800 peak   550 spectrum    1 weight  0.10000E+01 volume  0.32081E-03 ppm1      2.388 ppm2      7.062 CV     1
 ASSI !  554!
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.200     1.300     1.300 peak   554 spectrum    1 weight  0.10000E+01 volume  0.22749E-02 ppm1      3.913 ppm2      7.434 CV     1
 ASSI !  557!
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.500     0.800     0.800 peak   557 spectrum    1 weight  0.10000E+01 volume  0.52073E-02 ppm1      4.457 ppm2      7.431 CV     1
 ASSI !  558!
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
      3.000     1.100     1.100 peak   558 spectrum    1 weight  0.10000E+01 volume  0.10015E-01 ppm1      2.967 ppm2      7.434 CV     1
 ASSI !  559!
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      2.100     0.600     0.600 peak   559 spectrum    1 weight  0.10000E+01 volume  0.75609E-02 ppm1      2.865 ppm2      7.434 CV     1
 ASSI !  562!
   (( segid "    " and resid 48   and name HB2 ))
   (( segid "    " and resid 48   and name HA  ))
      2.900     1.100     1.100 peak   562 spectrum    1 weight  0.10000E+01 volume  0.18380E-02 ppm1      3.284 ppm2      4.181 CV     1
 ASSI !  563!
   (( segid "    " and resid 51  and name HG2 ) or ( segid "    " and resid 51  and name HG1 ))
   (( segid "    " and resid 48   and name HA  ))
      3.300     1.300     1.300 peak   563 spectrum    1 weight  0.10000E+01 volume  0.14596E-02 ppm1      1.169 ppm2      4.184 CV     1
 ASSI !  564!
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.200     1.300     1.300 peak   564 spectrum    1 weight  0.10000E+01 volume  0.12978E-02 ppm1      3.803 ppm2      3.405 CV     1
 ASSI !  565!
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB1 ))
      3.400     1.400     1.400 peak   565 spectrum    1 weight  0.10000E+01 volume  0.13928E-02 ppm1      4.181 ppm2      3.417 CV     1
 ASSI !  567!
   (  segid "    " and resid 110  and name HD1#)
   (( segid "    " and resid 48   and name HB1 ))
      2.500     0.800     0.800 peak   567 spectrum    1 weight  0.10000E+01 volume  0.22871E-02 ppm1      1.027 ppm2      3.405 CV     1
 ASSI !  571!
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 48   and name HD# )
      4.000     2.000     2.000 peak   571 spectrum    1 weight  0.10000E+01 volume  0.11987E-02 ppm1      3.812 ppm2      7.015 CV     1
 ASSI !  572!
   (  segid "    " and resid 45   and name HD2#)
   (  segid "    " and resid 48   and name HD# )
      3.000     3.000     3.000 peak   572 spectrum    1 weight  0.10000E+01 volume  0.54415E-02 ppm1      0.908 ppm2      7.014 CV     1
 ASSI !  573!
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HD# )
      2.800     1.000     1.000 peak   573 spectrum    1 weight  0.10000E+01 volume  0.50399E-02 ppm1      4.185 ppm2      7.018 CV     1
 ASSI !  574!
   (( segid "    " and resid 48   and name HB1 ))
   (  segid "    " and resid 48   and name HD# )
      3.000     1.100     1.100 peak   574 spectrum    1 weight  0.10000E+01 volume  0.18865E-02 ppm1      3.398 ppm2      7.017 CV     1
 ASSI !  575!
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 48   and name HD# )
      2.800     1.000     1.000 peak   575 spectrum    1 weight  0.10000E+01 volume  0.20149E-02 ppm1      3.287 ppm2      7.020 CV     1
 ASSI !  576!
   (( segid "    " and resid 51  and name HD1 ) or ( segid "    " and resid 51  and name HD2 ))
   (  segid "    " and resid 48   and name HD# )
      2.800     2.800     3.200 peak   576 spectrum    1 weight  0.10000E+01 volume  0.77191E-03 ppm1      1.282 ppm2      7.020 CV     1
 ASSI !  577!
   (  segid "    " and resid 93   and name HE# )
   (  segid "    " and resid 48   and name HD# )
      4.500     2.600     1.500 peak   577 spectrum    1 weight  0.10000E+01 volume  0.38500E-03 ppm1      1.869 ppm2      7.011 CV     1
 ASSI !  578!
   (  segid "    " and resid 110  and name HG2#)
   (  segid "    " and resid 48   and name HD# )
      3.100     1.200     1.200 peak   578 spectrum    1 weight  0.10000E+01 volume  0.39245E-02 ppm1      0.811 ppm2      7.017 CV     1
 ASSI !  579!
   (( segid "    " and resid 44   and name HD1 ))
   (  segid "    " and resid 48   and name HE# )
      4.100     2.100     1.900 peak   579 spectrum    1 weight  0.10000E+01 volume  0.58373E-03 ppm1      3.134 ppm2      6.852 CV     1
 ASSI !  580!
   (( segid "    " and resid 44   and name HD2 ))
   (  segid "    " and resid 48   and name HE# )
      4.000     2.000     2.000 peak   580 spectrum    1 weight  0.10000E+01 volume  0.63818E-03 ppm1      3.012 ppm2      6.852 CV     1
 ASSI !  581!
   (  segid "    " and resid 45   and name HD2#)
   (  segid "    " and resid 48   and name HE# )
      4.200     2.200     1.800 peak   581 spectrum    1 weight  0.10000E+01 volume  0.87827E-03 ppm1      0.911 ppm2      6.891 CV     1
 ASSI !  582!
   (  segid "    " and resid 93   and name HE# )
   (  segid "    " and resid 48   and name HE# )
      4.500     2.500     1.500 peak   582 spectrum    1 weight  0.10000E+01 volume  0.35903E-03 ppm1      1.878 ppm2      6.882 CV     1
 ASSI !  583!
   (  segid "    " and resid 110  and name HG2#)
   (  segid "    " and resid 48   and name HE# )
      3.800     1.800     1.800 peak   583 spectrum    1 weight  0.10000E+01 volume  0.81431E-03 ppm1      0.817 ppm2      6.879 CV     1
 ASSI !  586!
   (  segid "    " and resid 45   and name HD2#)
   (( segid "    " and resid 48   and name HN  ))
      4.600     2.700     1.400 peak   586 spectrum    1 weight  0.10000E+01 volume  0.71098E-03 ppm1      0.914 ppm2      8.954 CV     1
 ASSI !  587!
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      4.000     2.000     2.000 peak   587 spectrum    1 weight  0.10000E+01 volume  0.50615E-03 ppm1      3.875 ppm2      8.940 CV     1
 ASSI !  597!
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
      2.700     0.900     0.900 peak   597 spectrum    1 weight  0.10000E+01 volume  0.15867E-02 ppm1      1.611 ppm2      3.408 CV     1
 ASSI !  598!
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      3.000     1.100     1.100 peak   598 spectrum    1 weight  0.10000E+01 volume  0.21860E-02 ppm1      1.045 ppm2      3.411 CV     1
 ASSI !  599!
   (  segid "    " and resid 49   and name HD1#)
   (( segid "    " and resid 49   and name HA  ))
      4.900     3.000     1.100 peak   599 spectrum    1 weight  0.10000E+01 volume  0.68644E-03 ppm1      0.591 ppm2      3.411 CV     1
 ASSI !  600!
   (  segid "    " and resid 49   and name HD2#)
   (( segid "    " and resid 49   and name HA  ))
      2.100     0.600     0.600 peak   600 spectrum    1 weight  0.10000E+01 volume  0.77058E-02 ppm1     -1.147 ppm2      3.417 CV     1
 ASSI !  601!
   (( segid "    " and resid 49   and name HG  ))
   (( segid "    " and resid 49   and name HA  ))
      3.500     1.500     1.500 peak   601 spectrum    1 weight  0.10000E+01 volume  0.86585E-03 ppm1      0.793 ppm2      3.408 CV     1
 ASSI !  602!
   (  segid "    " and resid 53   and name HG2#)
   (( segid "    " and resid 49   and name HA  ))
      3.400     1.500     1.500 peak   602 spectrum    1 weight  0.10000E+01 volume  0.15017E-02 ppm1      0.243 ppm2      3.411 CV     1
 ASSI !  603!
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HB1 ))
      4.300     2.400     1.700 peak   603 spectrum    1 weight  0.10000E+01 volume  0.11350E-02 ppm1      3.860 ppm2      1.608 CV     1
 ASSI !  605!
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HB1 ))
      1.700     0.400     0.500 peak   605 spectrum    1 weight  0.10000E+01 volume  0.55063E-02 ppm1      1.051 ppm2      1.609 CV     1
 ASSI !  606!
   (  segid "    " and resid 49   and name HD1#)
   (( segid "    " and resid 49   and name HB1 ))
      2.700     0.900     0.900 peak   606 spectrum    1 weight  0.10000E+01 volume  0.29106E-02 ppm1      0.597 ppm2      1.606 CV     1
 ASSI !  607!
   (  segid "    " and resid 49   and name HD2#)
   (( segid "    " and resid 49   and name HB1 ))
      2.700     0.900     0.900 peak   607 spectrum    1 weight  0.10000E+01 volume  0.21359E-02 ppm1     -1.150 ppm2      1.609 CV     1
 ASSI !  613!
   (  segid "    " and resid 49   and name HD2#)
   (( segid "    " and resid 49   and name HB2 ))
      3.300     1.300     1.300 peak   613 spectrum    1 weight  0.10000E+01 volume  0.40096E-02 ppm1     -1.147 ppm2      1.039 CV     1
 ASSI !  617!
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 49   and name HD1#)
      2.700     0.900     0.900 peak   617 spectrum    1 weight  0.10000E+01 volume  0.21806E-02 ppm1      1.048 ppm2      0.592 CV     1
 ASSI !  618!
   (  segid "    " and resid 49   and name HD2#)
   (  segid "    " and resid 49   and name HD1#)
      2.200     0.600     0.600 peak   618 spectrum    1 weight  0.10000E+01 volume  0.10023E-01 ppm1     -1.150 ppm2      0.598 CV     1
 ASSI !  619!
   (  segid "    " and resid 53   and name HG2#)
   (  segid "    " and resid 49   and name HD1#)
      3.800     1.800     1.800 peak   619 spectrum    1 weight  0.10000E+01 volume  0.27886E-02 ppm1      0.240 ppm2      0.598 CV     1
 ASSI !  624!
   (  segid "    " and resid 76   and name HD1#)
   (  segid "    " and resid 49   and name HD1#)
      2.400     0.700     0.700 peak   624 spectrum    1 weight  0.10000E+01 volume  0.42641E-02 ppm1      0.928 ppm2      0.595 CV     1
 ASSI !  631!
   (  segid "    " and resid 53   and name HG2#)
   (  segid "    " and resid 49   and name HD2#)
      2.600     0.900     0.900 peak   631 spectrum    1 weight  0.10000E+01 volume  0.78657E-02 ppm1      0.237 ppm2     -1.143 CV     1
 ASSI !  632!
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 49   and name HD2#)
      4.700     2.700     1.300 peak   632 spectrum    1 weight  0.10000E+01 volume  0.42583E-03 ppm1      4.147 ppm2     -1.141 CV     1
 ASSI !  635!
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 49   and name HD2#)
      5.500     3.800     0.500 peak   635 spectrum    1 weight  0.10000E+01 volume  0.26723E-03 ppm1      3.745 ppm2     -1.137 CV     1
 ASSI !  636!
   (  segid "    " and resid 76   and name HD1#)
   (  segid "    " and resid 49   and name HD2#)
      4.200     2.200     1.800 peak   636 spectrum    1 weight  0.10000E+01 volume  0.78777E-03 ppm1      0.925 ppm2     -1.146 CV     1
 ASSI !  637!
   (  segid "    " and resid 110  and name HD1#)
   (  segid "    " and resid 49   and name HD2#)
      3.600     1.700     1.700 peak   637 spectrum    1 weight  0.10000E+01 volume  0.56832E-03 ppm1      1.031 ppm2     -1.140 CV     1
 ASSI !  639!
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 49   and name HG  ))
      3.100     1.200     1.200 peak   639 spectrum    1 weight  0.10000E+01 volume  0.21310E-02 ppm1      1.608 ppm2      0.799 CV     1
 ASSI !  640!
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 49   and name HG  ))
      2.700     0.900     0.900 peak   640 spectrum    1 weight  0.10000E+01 volume  0.15518E-02 ppm1      1.051 ppm2      0.796 CV     1
 ASSI !  641!
   (  segid "    " and resid 49   and name HD1#)
   (( segid "    " and resid 49   and name HG  ))
      2.200     0.600     0.600 peak   641 spectrum    1 weight  0.10000E+01 volume  0.69341E-02 ppm1      0.603 ppm2      0.799 CV     1
 ASSI !  642!
   (  segid "    " and resid 49   and name HD2#)
   (( segid "    " and resid 49   and name HG  ))
      2.300     0.700     0.700 peak   642 spectrum    1 weight  0.10000E+01 volume  0.48023E-02 ppm1     -1.150 ppm2      0.793 CV     1
 ASSI !  644!
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.600     1.600     1.600 peak   644 spectrum    1 weight  0.10000E+01 volume  0.10104E-02 ppm1      4.454 ppm2      8.288 CV     1
 ASSI !  645!
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.500     1.500     1.500 peak   645 spectrum    1 weight  0.10000E+01 volume  0.11899E-02 ppm1      4.186 ppm2      8.293 CV     1
 ASSI !  646!
   (( segid "    " and resid 48   and name HB1 ))
   (( segid "    " and resid 49   and name HN  ))
      2.700     0.900     0.900 peak   646 spectrum    1 weight  0.10000E+01 volume  0.16608E-02 ppm1      3.410 ppm2      8.294 CV     1
 ASSI !  651!
   (  segid "    " and resid 49   and name HD2#)
   (( segid "    " and resid 49   and name HN  ))
      3.600     1.600     1.600 peak   651 spectrum    1 weight  0.10000E+01 volume  0.27062E-02 ppm1     -1.141 ppm2      8.291 CV     1
 ASSI !  653!
   (( segid "    " and resid 50   and name HB1 ) or ( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 49   and name HN  ))
      4.300     2.300     1.700 peak   653 spectrum    1 weight  0.10000E+01 volume  0.11985E-02 ppm1      1.926 ppm2      8.294 CV     1
 ASSI !  654!
   (  segid "    " and resid 53   and name HG2#)
   (( segid "    " and resid 49   and name HN  ))
      4.100     2.100     1.900 peak   654 spectrum    1 weight  0.10000E+01 volume  0.20677E-02 ppm1      0.240 ppm2      8.291 CV     1
 ASSI !  655!
   (  segid "    " and resid 110  and name HD1#)
   (( segid "    " and resid 49   and name HN  ))
      3.300     1.400     1.400 peak   655 spectrum    1 weight  0.10000E+01 volume  0.21104E-02 ppm1      1.024 ppm2      8.288 CV     1
 ASSI !  656!
   (  segid "    " and resid 110  and name HG2#)
   (( segid "    " and resid 49   and name HN  ))
      4.800     2.800     1.200 peak   656 spectrum    1 weight  0.10000E+01 volume  0.80235E-03 ppm1      0.805 ppm2      8.291 CV     1
 ASSI !  657!
   (( segid "    " and resid 50   and name HB2 ) or ( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 50   and name HA  ))
      2.400     0.700     0.700 peak   657 spectrum    1 weight  0.10000E+01 volume  0.75442E-02 ppm1      1.932 ppm2      3.890 CV     1
 ASSI !  658!
   (( segid "    " and resid 50   and name HB2 ) or ( segid "    " and resid 50   and name HB1 ))
   (( segid "    " and resid 50  and name HE1 ) or ( segid "    " and resid 50  and name HE2 ))
      3.900     1.900     1.900 peak   658 spectrum    1 weight  0.10000E+01 volume  0.10991E-02 ppm1      1.926 ppm2      2.976 CV     1
 ASSI !  659!
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 50  and name HE1 ) or ( segid "    " and resid 50  and name HE2 ))
      2.800     1.000     1.000 peak   659 spectrum    1 weight  0.10000E+01 volume  0.52143E-02 ppm1      1.545 ppm2      2.973 CV     1
 ASSI !  660!
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50  and name HE2 ) or ( segid "    " and resid 50  and name HE1 ))
      2.700     0.900     0.900 peak   660 spectrum    1 weight  0.10000E+01 volume  0.55964E-02 ppm1      1.441 ppm2      2.976 CV     1
 ASSI !  662!
   (( segid "    " and resid 49   and name HB1 ))
   (( segid "    " and resid 50   and name HN  ))
      3.300     1.400     1.400 peak   662 spectrum    1 weight  0.10000E+01 volume  0.21883E-02 ppm1      1.608 ppm2      7.320 CV     1
 ASSI !  663!
   (( segid "    " and resid 49   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      2.900     1.100     1.100 peak   663 spectrum    1 weight  0.10000E+01 volume  0.11879E-02 ppm1      1.051 ppm2      7.320 CV     1
 ASSI !  665!
   (( segid "    " and resid 49   and name HG  ))
   (( segid "    " and resid 50   and name HN  ))
      4.600     2.700     1.400 peak   665 spectrum    1 weight  0.10000E+01 volume  0.62485E-03 ppm1      0.802 ppm2      7.326 CV     1
 ASSI !  667!
   (( segid "    " and resid 50   and name HB1 ) or ( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      2.300     0.700     0.700 peak   667 spectrum    1 weight  0.10000E+01 volume  0.10439E-01 ppm1      1.929 ppm2      7.323 CV     1
 ASSI !  668!
   (( segid "    " and resid 50   and name HG1 ))
   (( segid "    " and resid 50   and name HN  ))
      2.500     0.800     0.800 peak   668 spectrum    1 weight  0.10000E+01 volume  0.40019E-02 ppm1      1.541 ppm2      7.323 CV     1
 ASSI !  669!
   (( segid "    " and resid 50   and name HG2 ))
   (( segid "    " and resid 50   and name HN  ))
      2.900     1.000     1.000 peak   669 spectrum    1 weight  0.10000E+01 volume  0.27076E-02 ppm1      1.448 ppm2      7.329 CV     1
 ASSI !  671!
   (( segid "    " and resid 51  and name HB1 ) or ( segid "    " and resid 51  and name HB2 ))
   (( segid "    " and resid 51   and name HA  ))
      2.500     0.800     0.800 peak   671 spectrum    1 weight  0.10000E+01 volume  0.68071E-02 ppm1      1.312 ppm2      4.076 CV     1
 ASSI !  672!
   (( segid "    " and resid 51  and name HD2 ) or ( segid "    " and resid 51  and name HD1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.800     1.800     1.800 peak   672 spectrum    1 weight  0.10000E+01 volume  0.41627E-02 ppm1      1.282 ppm2      4.079 CV     1
 ASSI !  673!
   (( segid "    " and resid 51  and name HG1 ) or ( segid "    " and resid 51  and name HG2 ))
   (( segid "    " and resid 51   and name HA  ))
      3.000     1.100     1.100 peak   673 spectrum    1 weight  0.10000E+01 volume  0.44767E-02 ppm1      1.166 ppm2      4.082 CV     1
 ASSI !  674!
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51  and name HB2 ) or ( segid "    " and resid 51  and name HB1 ))
      3.700     1.700     1.700 peak   674 spectrum    1 weight  0.10000E+01 volume  0.15720E-02 ppm1      4.185 ppm2      1.306 CV     1
 ASSI !  677!
   (( segid "    " and resid 51  and name HE1 ) or ( segid "    " and resid 51  and name HE2 ))
   (( segid "    " and resid 51  and name HD2 ) or ( segid "    " and resid 51  and name HD1 ))
      2.200     0.600     0.600 peak   677 spectrum    1 weight  0.10000E+01 volume  0.11311E-01 ppm1      2.841 ppm2      1.285 CV     1
 ASSI !  678!
   (( segid "    " and resid 51  and name HG1 ) or ( segid "    " and resid 51  and name HG2 ))
   (( segid "    " and resid 51  and name HD2 ) or ( segid "    " and resid 51  and name HD1 ))
      1.900     0.400     0.400 peak   678 spectrum    1 weight  0.10000E+01 volume  0.33063E-01 ppm1      1.166 ppm2      1.282 CV     1
 ASSI !  679!
   (( segid "    " and resid 51  and name HB2 ) or ( segid "    " and resid 51  and name HB1 ))
   (( segid "    " and resid 51  and name HE2 ) or ( segid "    " and resid 51  and name HE1 ))
      4.300     2.300     1.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.96391E-03 ppm1      1.315 ppm2      2.841 CV     1
 ASSI !  681!
   (( segid "    " and resid 51  and name HG2 ) or ( segid "    " and resid 51  and name HG1 ))
   (( segid "    " and resid 51  and name HE2 ) or ( segid "    " and resid 51  and name HE1 ))
      2.900     1.100     1.100 peak   681 spectrum    1 weight  0.10000E+01 volume  0.34961E-02 ppm1      1.169 ppm2      2.844 CV     1
 ASSI !  683!
   (( segid "    " and resid 51  and name HB1 ) or ( segid "    " and resid 51  and name HB2 ))
   (( segid "    " and resid 51  and name HG1 ) or ( segid "    " and resid 51  and name HG2 ))
      2.200     0.600     0.600 peak   683 spectrum    1 weight  0.10000E+01 volume  0.10920E-01 ppm1      1.309 ppm2      1.171 CV     1
 ASSI !  687!
   (( segid "    " and resid 50   and name HB1 ) or ( segid "    " and resid 50   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.400     0.700     0.700 peak   687 spectrum    1 weight  0.10000E+01 volume  0.57168E-02 ppm1      1.929 ppm2      7.434 CV     1
 ASSI !  690!
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.700     0.900     0.900 peak   690 spectrum    1 weight  0.10000E+01 volume  0.38826E-02 ppm1      4.082 ppm2      7.434 CV     1
 ASSI !  692!
   (( segid "    " and resid 51  and name HD1 ) or ( segid "    " and resid 51  and name HD2 ))
   (( segid "    " and resid 51   and name HN  ))
      3.800     1.800     1.800 peak   692 spectrum    1 weight  0.10000E+01 volume  0.20182E-02 ppm1      1.279 ppm2      7.440 CV     1
 ASSI !  693!
   (( segid "    " and resid 51  and name HG1 ) or ( segid "    " and resid 51  and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.400     0.700     0.700 peak   693 spectrum    1 weight  0.10000E+01 volume  0.57114E-02 ppm1      1.166 ppm2      7.437 CV     1
 ASSI !  694!
   (( segid "    " and resid 51  and name HB2 ) or ( segid "    " and resid 51  and name HB1 ))
   (( segid "    " and resid 52   and name HA1 ))
      4.900     3.000     1.100 peak   694 spectrum    1 weight  0.10000E+01 volume  0.53680E-03 ppm1      1.306 ppm2      3.899 CV     1
 ASSI !  695!
   (  segid "    " and resid 53   and name HG2#)
   (( segid "    " and resid 52   and name HA1 ))
      3.500     1.500     1.500 peak   695 spectrum    1 weight  0.10000E+01 volume  0.94310E-03 ppm1      0.240 ppm2      3.896 CV     1
 ASSI !  696!
   (( segid "    " and resid 51  and name HB2 ) or ( segid "    " and resid 51  and name HB1 ))
   (( segid "    " and resid 52   and name HA2 ))
      3.100     3.100     2.900 peak   696 spectrum    1 weight  0.10000E+01 volume  0.30297E-02 ppm1      1.315 ppm2      4.184 CV     1
 ASSI !  697!
   (( segid "    " and resid 51  and name HD1 ) or ( segid "    " and resid 51  and name HD2 ))
   (( segid "    " and resid 52   and name HA2 ))
      2.600     2.600     3.400 peak   697 spectrum    1 weight  0.10000E+01 volume  0.14745E-02 ppm1      1.282 ppm2      4.166 CV     1
 ASSI !  698!
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak   698 spectrum    1 weight  0.10000E+01 volume  0.38478E-02 ppm1      3.410 ppm2      8.293 CV     1
 ASSI !  699!
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.800     1.800     1.800 peak   699 spectrum    1 weight  0.10000E+01 volume  0.88363E-03 ppm1      3.894 ppm2      8.285 CV     1
 ASSI !  700!
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.300     1.400     1.400 peak   700 spectrum    1 weight  0.10000E+01 volume  0.14338E-02 ppm1      4.082 ppm2      8.285 CV     1
 ASSI !  701!
   (( segid "    " and resid 51  and name HB2 ) or ( segid "    " and resid 51  and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.100     1.200     1.200 peak   701 spectrum    1 weight  0.10000E+01 volume  0.37888E-02 ppm1      1.315 ppm2      8.291 CV     1
 ASSI !  702!
   (( segid "    " and resid 51  and name HD1 ) or ( segid "    " and resid 51  and name HD2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.800     2.800     3.200 peak   702 spectrum    1 weight  0.10000E+01 volume  0.78325E-03 ppm1      1.279 ppm2      8.294 CV     1
 ASSI !  703!
   (( segid "    " and resid 51  and name HG2 ) or ( segid "    " and resid 51  and name HG1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.700     1.700     1.700 peak   703 spectrum    1 weight  0.10000E+01 volume  0.14032E-02 ppm1      1.166 ppm2      8.294 CV     1
 ASSI !  704!
   (( segid "    " and resid 52   and name HA1 ))
   (( segid "    " and resid 52   and name HN  ))
      2.300     0.700     0.700 peak   704 spectrum    1 weight  0.10000E+01 volume  0.53833E-02 ppm1      3.896 ppm2      8.294 CV     1
 ASSI !  705!
   (( segid "    " and resid 52   and name HA2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.900     1.100     1.100 peak   705 spectrum    1 weight  0.10000E+01 volume  0.44173E-02 ppm1      4.187 ppm2      8.288 CV     1
 ASSI !  706!
   (  segid "    " and resid 53   and name HG2#)
   (( segid "    " and resid 53   and name HA  ))
      2.500     0.800     0.800 peak   706 spectrum    1 weight  0.10000E+01 volume  0.57584E-02 ppm1      0.234 ppm2      4.850 CV     1
 ASSI !  707!
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB  ))
      2.500     0.800     0.800 peak   707 spectrum    1 weight  0.10000E+01 volume  0.44680E-02 ppm1      4.837 ppm2      4.328 CV     1
 ASSI !  709!
   (  segid "    " and resid 53   and name HG2#)
   (( segid "    " and resid 53   and name HB  ))
      2.200     0.600     0.600 peak   709 spectrum    1 weight  0.10000E+01 volume  0.88238E-02 ppm1      0.240 ppm2      4.331 CV     1
 ASSI !  710!
   (  segid "    " and resid 49   and name HD1#)
   (( segid "    " and resid 53   and name HG1 ))
      4.600     2.600     1.400 peak   710 spectrum    1 weight  0.10000E+01 volume  0.57779E-03 ppm1      0.603 ppm2      3.620 CV     1
 ASSI !  711!
   (  segid "    " and resid 49   and name HD2#)
   (( segid "    " and resid 53   and name HG1 ))
      3.300     1.400     1.400 peak   711 spectrum    1 weight  0.10000E+01 volume  0.14429E-02 ppm1     -1.147 ppm2      3.620 CV     1
 ASSI !  712!
   (( segid "    " and resid 49   and name HG  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.700     2.800     1.300 peak   712 spectrum    1 weight  0.10000E+01 volume  0.70525E-03 ppm1      0.787 ppm2      3.617 CV     1
 ASSI !  713!
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.300     2.300     1.700 peak   713 spectrum    1 weight  0.10000E+01 volume  0.71688E-03 ppm1      4.847 ppm2      3.624 CV     1
 ASSI !  714!
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 53   and name HG1 ))
      3.000     1.100     1.100 peak   714 spectrum    1 weight  0.10000E+01 volume  0.13739E-02 ppm1      4.329 ppm2      3.622 CV     1
 ASSI !  715!
   (  segid "    " and resid 53   and name HG2#)
   (( segid "    " and resid 53   and name HG1 ))
      2.300     0.600     0.600 peak   715 spectrum    1 weight  0.10000E+01 volume  0.84214E-02 ppm1      0.240 ppm2      3.617 CV     1
 ASSI !  716!
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      3.400     1.500     1.500 peak   716 spectrum    1 weight  0.10000E+01 volume  0.78420E-03 ppm1      4.144 ppm2      3.622 CV     1
 ASSI !  723!
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.600     1.700     1.700 peak   723 spectrum    1 weight  0.10000E+01 volume  0.51578E-03 ppm1      3.419 ppm2      7.146 CV     1
 ASSI !  724!
   (  segid "    " and resid 49   and name HD2#)
   (( segid "    " and resid 53   and name HN  ))
      3.500     1.500     1.500 peak   724 spectrum    1 weight  0.10000E+01 volume  0.26129E-02 ppm1     -1.141 ppm2      7.146 CV     1
 ASSI !  725!
   (( segid "    " and resid 49   and name HG  ))
   (( segid "    " and resid 53   and name HN  ))
      4.900     3.000     1.100 peak   725 spectrum    1 weight  0.10000E+01 volume  0.68968E-03 ppm1      0.811 ppm2      7.155 CV     1
 ASSI !  726!
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.600     1.600     1.600 peak   726 spectrum    1 weight  0.10000E+01 volume  0.96404E-03 ppm1      3.897 ppm2      7.146 CV     1
 ASSI !  727!
   (( segid "    " and resid 52   and name HA1 ))
   (( segid "    " and resid 53   and name HN  ))
      2.900     1.000     1.000 peak   727 spectrum    1 weight  0.10000E+01 volume  0.17764E-02 ppm1      3.887 ppm2      7.152 CV     1
 ASSI !  728!
   (( segid "    " and resid 52   and name HA2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.700     1.800     1.800 peak   728 spectrum    1 weight  0.10000E+01 volume  0.19267E-02 ppm1      4.172 ppm2      7.146 CV     1
 ASSI !  729!
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.900     1.100     1.100 peak   729 spectrum    1 weight  0.10000E+01 volume  0.23107E-02 ppm1      4.835 ppm2      7.147 CV     1
 ASSI !  731!
   (  segid "    " and resid 53   and name HG2#)
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak   731 spectrum    1 weight  0.10000E+01 volume  0.69325E-02 ppm1      0.243 ppm2      7.152 CV     1
 ASSI !  733!
   (( segid "    " and resid 54   and name HB2 ) or ( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
      2.400     0.700     0.700 peak   733 spectrum    1 weight  0.10000E+01 volume  0.88965E-02 ppm1      1.872 ppm2      4.352 CV     1
 ASSI !  734!
   (( segid "    " and resid 54  and name HD1 ) or ( segid "    " and resid 54  and name HD2 ))
   (( segid "    " and resid 54   and name HA  ))
      3.800     1.800     1.800 peak   734 spectrum    1 weight  0.10000E+01 volume  0.25349E-02 ppm1      1.707 ppm2      4.361 CV     1
 ASSI !  735!
   (( segid "    " and resid 54   and name HG1 ) or ( segid "    " and resid 54   and name HG2 ))
   (( segid "    " and resid 54   and name HA  ))
      2.900     1.100     1.100 peak   735 spectrum    1 weight  0.10000E+01 volume  0.41939E-02 ppm1      1.533 ppm2      4.355 CV     1
 ASSI !  736!
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ) or ( segid "    " and resid 54   and name HB2 ))
      5.300     3.500     0.700 peak   736 spectrum    1 weight  0.10000E+01 volume  0.46192E-03 ppm1      4.854 ppm2      1.855 CV     1
 ASSI !  739!
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HG1 ))
      3.600     1.700     1.700 peak   739 spectrum    1 weight  0.10000E+01 volume  0.14909E-02 ppm1      4.355 ppm2      1.570 CV     1
 ASSI !  740!
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HG2 ))
      3.300     1.300     1.300 peak   740 spectrum    1 weight  0.10000E+01 volume  0.18143E-02 ppm1      4.355 ppm2      1.513 CV     1
 ASSI !  741!
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.400     0.700     0.700 peak   741 spectrum    1 weight  0.10000E+01 volume  0.71165E-02 ppm1      4.835 ppm2      8.415 CV     1
 ASSI !  742!
   (( segid "    " and resid 53   and name HB  ))
   (( segid "    " and resid 54   and name HN  ))
      2.300     0.700     0.700 peak   742 spectrum    1 weight  0.10000E+01 volume  0.26761E-02 ppm1      4.330 ppm2      8.415 CV     1
 ASSI !  745!
   (( segid "    " and resid 54   and name HB1 ) or ( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
      2.400     0.700     0.700 peak   745 spectrum    1 weight  0.10000E+01 volume  0.69603E-02 ppm1      1.860 ppm2      8.417 CV     1
 ASSI !  746!
   (( segid "    " and resid 54  and name HD2 ) or ( segid "    " and resid 54  and name HD1 ))
   (( segid "    " and resid 54   and name HN  ))
      3.800     1.900     1.900 peak   746 spectrum    1 weight  0.10000E+01 volume  0.13446E-02 ppm1      1.704 ppm2      8.414 CV     1
 ASSI !  747!
   (( segid "    " and resid 54   and name HG2 ) or ( segid "    " and resid 54   and name HG1 ))
   (( segid "    " and resid 54   and name HN  ))
      2.700     0.900     0.900 peak   747 spectrum    1 weight  0.10000E+01 volume  0.30040E-02 ppm1      1.550 ppm2      8.414 CV     1
 ASSI !  749!
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
      3.300     1.400     1.400 peak   749 spectrum    1 weight  0.10000E+01 volume  0.21346E-02 ppm1      2.883 ppm2      4.991 CV     1
 ASSI !  750!
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
      2.500     0.800     0.800 peak   750 spectrum    1 weight  0.10000E+01 volume  0.37065E-02 ppm1      2.649 ppm2      4.991 CV     1
 ASSI !  751!
   (( segid "    " and resid 54   and name HB1 ) or ( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HB1 ))
      3.800     1.800     1.800 peak   751 spectrum    1 weight  0.10000E+01 volume  0.79745E-03 ppm1      1.860 ppm2      2.892 CV     1
 ASSI !  754!
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HD21))
      2.300     0.700     0.700 peak   754 spectrum    1 weight  0.10000E+01 volume  0.34842E-02 ppm1      2.889 ppm2      7.542 CV     1
 ASSI !  755!
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HD21))
      3.300     1.400     1.400 peak   755 spectrum    1 weight  0.10000E+01 volume  0.31649E-02 ppm1      2.652 ppm2      7.533 CV     1
 ASSI !  757!
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HD22))
      3.800     1.800     1.800 peak   757 spectrum    1 weight  0.10000E+01 volume  0.18673E-02 ppm1      2.886 ppm2      6.822 CV     1
 ASSI !  759!
   (  segid "    " and resid 57   and name HB# )
   (( segid "    " and resid 55   and name HD22))
      2.900     1.100     1.100 peak   759 spectrum    1 weight  0.10000E+01 volume  0.12839E-02 ppm1      1.486 ppm2      6.831 CV     1
 ASSI !  761!
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 55   and name HD22))
      4.700     2.700     1.300 peak   761 spectrum    1 weight  0.10000E+01 volume  0.13796E-02 ppm1      1.656 ppm2      6.834 CV     1
 ASSI !  763!
   (( segid "    " and resid 54   and name HB1 ) or ( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      2.800     1.000     1.000 peak   763 spectrum    1 weight  0.10000E+01 volume  0.44937E-02 ppm1      1.863 ppm2      7.821 CV     1
 ASSI !  764!
   (( segid "    " and resid 54   and name HG2 ) or ( segid "    " and resid 54   and name HG1 ))
   (( segid "    " and resid 55   and name HN  ))
      3.900     1.900     1.900 peak   764 spectrum    1 weight  0.10000E+01 volume  0.84700E-03 ppm1      1.556 ppm2      7.830 CV     1
 ASSI !  768!
   (  segid "    " and resid 49   and name HD1#)
   (( segid "    " and resid 56   and name HA  ))
      3.500     1.600     1.600 peak   768 spectrum    1 weight  0.10000E+01 volume  0.10890E-02 ppm1      0.594 ppm2      4.139 CV     1
 ASSI !  770!
   (( segid "    " and resid 49   and name HG  ))
   (( segid "    " and resid 56   and name HA  ))
      5.200     3.300     0.800 peak   770 spectrum    1 weight  0.10000E+01 volume  0.59557E-03 ppm1      0.784 ppm2      4.148 CV     1
 ASSI !  772!
   (( segid "    " and resid 56   and name HB2 ) or ( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HA  ))
      2.400     0.700     0.700 peak   772 spectrum    1 weight  0.10000E+01 volume  0.33269E-02 ppm1      3.755 ppm2      4.146 CV     1
  ASSI !  774!
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB1 ))
      2.600     0.900     0.900 peak   774 spectrum    1 weight  0.10000E+01 volume  0.22810E-02 ppm1      4.148 ppm2      3.782 CV     1
 ASSI !  775!
   (  segid "    " and resid 49   and name HD1#)
   (( segid "    " and resid 56   and name HB2 ))
      3.100     1.200     1.200 peak   775 spectrum    1 weight  0.10000E+01 volume  0.17235E-02 ppm1      0.594 ppm2      3.722 CV     1
 ASSI !  776!
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
      2.600     0.800     0.800 peak   776 spectrum    1 weight  0.10000E+01 volume  0.22666E-02 ppm1      4.150 ppm2      3.730 CV     1
 ASSI !  777!
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      2.400     0.700     0.700 peak   777 spectrum    1 weight  0.10000E+01 volume  0.50278E-02 ppm1      4.990 ppm2      8.552 CV     1
 ASSI !  779!
   (( segid "    " and resid 56   and name HB1 ) or ( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      3.300     1.300     1.300 peak   779 spectrum    1 weight  0.10000E+01 volume  0.10554E-02 ppm1      3.760 ppm2      8.554 CV     1
 ASSI !  782!
   (  segid "    " and resid 57   and name HB# )
   (( segid "    " and resid 57   and name HA  ))
      2.000     0.500     0.500 peak   782 spectrum    1 weight  0.10000E+01 volume  0.23632E-01 ppm1      1.492 ppm2      4.277 CV     1
 ASSI !  783!
   (( segid "    " and resid 55   and name HA  ))
   (  segid "    " and resid 57   and name HB# )
      5.100     3.300     0.900 peak   783 spectrum    1 weight  0.10000E+01 volume  0.45232E-03 ppm1      4.993 ppm2      1.492 CV     1
 ASSI !  790!
   (  segid "    " and resid 57   and name HB# )
   (( segid "    " and resid 57   and name HN  ))
      2.000     0.500     0.500 peak   790 spectrum    1 weight  0.10000E+01 volume  0.23092E-01 ppm1      1.492 ppm2      8.132 CV     1
 ASSI !  791!
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
      2.600     0.900     0.900 peak   791 spectrum    1 weight  0.10000E+01 volume  0.44003E-02 ppm1      2.088 ppm2      4.262 CV     1
 ASSI !  792!
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
      2.500     0.800     0.800 peak   792 spectrum    1 weight  0.10000E+01 volume  0.57509E-02 ppm1      1.635 ppm2      4.262 CV     1
 ASSI !  793!
   (( segid "    " and resid 58   and name HG1 ))
   (( segid "    " and resid 58   and name HA  ))
      4.000     2.000     2.000 peak   793 spectrum    1 weight  0.10000E+01 volume  0.11997E-02 ppm1      2.295 ppm2      4.259 CV     1
 ASSI !  794!
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HA  ))
      4.500     2.500     1.500 peak   794 spectrum    1 weight  0.10000E+01 volume  0.59432E-03 ppm1      0.952 ppm2      4.259 CV     1
 ASSI !  797!
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HB1 ))
      1.800     0.400     0.400 peak   797 spectrum    1 weight  0.10000E+01 volume  0.97791E-02 ppm1      1.638 ppm2      2.088 CV     1
 ASSI !  798!
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HB1 ))
      2.500     0.800     0.800 peak   798 spectrum    1 weight  0.10000E+01 volume  0.26913E-02 ppm1      0.946 ppm2      2.091 CV     1
 ASSI !  801!
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HB2 ))
      3.300     1.400     1.400 peak   801 spectrum    1 weight  0.10000E+01 volume  0.18650E-02 ppm1      0.949 ppm2      1.642 CV     1
 ASSI !  802!
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 58   and name HE21))
      2.700     0.900     0.900 peak   802 spectrum    1 weight  0.10000E+01 volume  0.22864E-02 ppm1      2.889 ppm2      7.161 CV     1
 ASSI !  803!
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 58   and name HE21))
      4.700     2.700     1.300 peak   803 spectrum    1 weight  0.10000E+01 volume  0.90244E-03 ppm1      2.649 ppm2      7.161 CV     1
 ASSI !  804!
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 58   and name HE21))
      3.600     1.600     1.600 peak   804 spectrum    1 weight  0.10000E+01 volume  0.10870E-02 ppm1      2.091 ppm2      7.164 CV     1
 ASSI !  805!
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HE21))
      4.400     2.400     1.600 peak   805 spectrum    1 weight  0.10000E+01 volume  0.93363E-03 ppm1      1.635 ppm2      7.167 CV     1
 ASSI !  806!
   (( segid "    " and resid 58   and name HG1 ))
   (( segid "    " and resid 58   and name HE21))
      3.200     1.300     1.300 peak   806 spectrum    1 weight  0.10000E+01 volume  0.27603E-02 ppm1      2.298 ppm2      7.161 CV     1
 ASSI !  807!
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HE21))
      2.400     0.700     0.700 peak   807 spectrum    1 weight  0.10000E+01 volume  0.21109E-02 ppm1      0.946 ppm2      7.164 CV     1
 ASSI !  808!
   (( segid "    " and resid 100  and name HG1 ))
   (( segid "    " and resid 58   and name HE21))
      4.400     2.400     1.600 peak   808 spectrum    1 weight  0.10000E+01 volume  0.60258E-03 ppm1      1.345 ppm2      7.170 CV     1
 ASSI !  809!
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 58   and name HE21))
      4.100     2.100     1.900 peak   809 spectrum    1 weight  0.10000E+01 volume  0.59365E-03 ppm1      0.472 ppm2      7.161 CV     1
 ASSI !  810!
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 58   and name HE22))
      3.400     1.500     1.500 peak   810 spectrum    1 weight  0.10000E+01 volume  0.15149E-02 ppm1      2.889 ppm2      6.750 CV     1
 ASSI !  811!
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 58   and name HE22))
      5.500     3.800     0.500 peak   811 spectrum    1 weight  0.10000E+01 volume  0.54560E-03 ppm1      2.649 ppm2      6.750 CV     1
 ASSI !  812!
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 58   and name HE22))
      4.900     3.000     1.100 peak   812 spectrum    1 weight  0.10000E+01 volume  0.38310E-03 ppm1      2.097 ppm2      6.753 CV     1
 ASSI !  815!
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HE22))
      4.500     2.500     1.500 peak   815 spectrum    1 weight  0.10000E+01 volume  0.68245E-03 ppm1      0.955 ppm2      6.747 CV     1
 ASSI !  817!
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 58   and name HG1 ))
      3.000     1.100     1.100 peak   817 spectrum    1 weight  0.10000E+01 volume  0.35238E-02 ppm1      2.091 ppm2      2.295 CV     1
 ASSI !  818!
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HG1 ))
      2.500     0.800     0.800 peak   818 spectrum    1 weight  0.10000E+01 volume  0.32608E-02 ppm1      1.638 ppm2      2.292 CV     1
 ASSI !  819!
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HG1 ))
      1.700     0.400     0.500 peak   819 spectrum    1 weight  0.10000E+01 volume  0.75314E-02 ppm1      0.949 ppm2      2.292 CV     1
 ASSI !  824!
   (  segid "    " and resid 57   and name HB# )
   (( segid "    " and resid 58   and name HN  ))
      3.100     1.200     1.200 peak   824 spectrum    1 weight  0.10000E+01 volume  0.46042E-02 ppm1      1.489 ppm2      7.119 CV     1
 ASSI !  825!
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.600     0.800     0.800 peak   825 spectrum    1 weight  0.10000E+01 volume  0.40859E-02 ppm1      4.262 ppm2      7.113 CV     1
 ASSI !  826!
   (( segid "    " and resid 58   and name HB1 ))
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak   826 spectrum    1 weight  0.10000E+01 volume  0.27088E-02 ppm1      2.088 ppm2      7.110 CV     1
 ASSI !  827!
   (( segid "    " and resid 58   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
      3.300     1.300     1.300 peak   827 spectrum    1 weight  0.10000E+01 volume  0.40253E-02 ppm1      1.638 ppm2      7.116 CV     1
 ASSI !  828!
   (( segid "    " and resid 58   and name HG1 ))
   (( segid "    " and resid 58   and name HN  ))
      3.100     1.200     1.200 peak   828 spectrum    1 weight  0.10000E+01 volume  0.36705E-02 ppm1      2.295 ppm2      7.110 CV     1
 ASSI !  829!
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 58   and name HN  ))
      2.300     0.600     0.600 peak   829 spectrum    1 weight  0.10000E+01 volume  0.24375E-02 ppm1      0.949 ppm2      7.110 CV     1
 ASSI !  830!
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HA  ))
      2.800     1.000     1.000 peak   830 spectrum    1 weight  0.10000E+01 volume  0.10430E-02 ppm1      2.986 ppm2      4.613 CV     1
 ASSI !  831!
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      3.100     1.200     1.200 peak   831 spectrum    1 weight  0.10000E+01 volume  0.14504E-02 ppm1      2.800 ppm2      4.616 CV     1
 ASSI !  832!
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 59   and name HA  ))
      3.700     1.700     1.700 peak   832 spectrum    1 weight  0.10000E+01 volume  0.72473E-03 ppm1      1.887 ppm2      4.619 CV     1
 ASSI !  833!
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      4.800     2.900     1.200 peak   833 spectrum    1 weight  0.10000E+01 volume  0.71401E-03 ppm1      1.492 ppm2      4.619 CV     1
 ASSI !  834!
   (  segid "    " and resid 49   and name HD1#)
   (( segid "    " and resid 59   and name HB1 ))
      3.400     1.500     1.500 peak   834 spectrum    1 weight  0.10000E+01 volume  0.16520E-02 ppm1      0.597 ppm2      2.997 CV     1
 ASSI !  835!
   (  segid "    " and resid 76   and name HD1#)
   (( segid "    " and resid 59   and name HB1 ))
      2.600     0.800     0.800 peak   835 spectrum    1 weight  0.10000E+01 volume  0.16637E-02 ppm1      0.931 ppm2      2.994 CV     1
 ASSI !  836!
   (  segid "    " and resid 49   and name HD1#)
   (( segid "    " and resid 59   and name HB2 ))
      3.400     1.400     1.400 peak   836 spectrum    1 weight  0.10000E+01 volume  0.94734E-03 ppm1      0.594 ppm2      2.808 CV     1
 ASSI !  837!
   (  segid "    " and resid 76   and name HD1#)
   (( segid "    " and resid 59   and name HB2 ))
      3.000     1.100     1.100 peak   837 spectrum    1 weight  0.10000E+01 volume  0.22900E-02 ppm1      0.922 ppm2      2.805 CV     1
 ASSI !  838!
   (  segid "    " and resid 49   and name HD1#)
   (  segid "    " and resid 59   and name HD# )
      2.800     1.000     1.000 peak   838 spectrum    1 weight  0.10000E+01 volume  0.27030E-02 ppm1      0.597 ppm2      7.152 CV     1
 ASSI !  839!
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 59   and name HD# )
      2.400     0.700     0.700 peak   839 spectrum    1 weight  0.10000E+01 volume  0.24938E-02 ppm1      4.147 ppm2      7.158 CV     1
 ASSI !  840!
   (( segid "    " and resid 56   and name HB2 ) or ( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 59   and name HD# )
      4.400     2.400     1.600 peak   840 spectrum    1 weight  0.10000E+01 volume  0.60084E-03 ppm1      3.768 ppm2      7.152 CV     1
 ASSI !  841!
   (( segid "    " and resid 59   and name HA  ))
   (  segid "    " and resid 59   and name HD# )
      3.100     1.200     1.200 peak   841 spectrum    1 weight  0.10000E+01 volume  0.14347E-02 ppm1      4.623 ppm2      7.157 CV     1
 ASSI !  842!
   (( segid "    " and resid 59   and name HB1 ))
   (  segid "    " and resid 59   and name HD# )
      2.500     0.800     0.800 peak   842 spectrum    1 weight  0.10000E+01 volume  0.23926E-02 ppm1      2.992 ppm2      7.152 CV     1
 ASSI !  843!
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 59   and name HD# )
      2.700     0.900     0.900 peak   843 spectrum    1 weight  0.10000E+01 volume  0.22483E-02 ppm1      2.812 ppm2      7.152 CV     1
 ASSI !  844!
   (  segid "    " and resid 76   and name HD1#)
   (  segid "    " and resid 59   and name HD# )
      3.600     1.600     1.600 peak   844 spectrum    1 weight  0.10000E+01 volume  0.92371E-03 ppm1      0.928 ppm2      7.155 CV     1
 ASSI !  845!
   (( segid "    " and resid 98   and name HB1 ))
   (  segid "    " and resid 59   and name HD# )
      2.900     1.100     1.100 peak   845 spectrum    1 weight  0.10000E+01 volume  0.54598E-03 ppm1      2.769 ppm2      7.155 CV     1
 ASSI !  846!
   (( segid "    " and resid 98   and name HB2 ))
   (  segid "    " and resid 59   and name HD# )
      4.200     2.200     1.800 peak   846 spectrum    1 weight  0.10000E+01 volume  0.11756E-02 ppm1      2.565 ppm2      7.155 CV     1
 ASSI !  847!
   (( segid "    " and resid 100  and name HA  ))
   (  segid "    " and resid 59   and name HD# )
      4.000     2.000     2.000 peak   847 spectrum    1 weight  0.10000E+01 volume  0.65691E-03 ppm1      4.535 ppm2      7.152 CV     1
 ASSI !  848!
   (  segid "    " and resid 49   and name HD1#)
   (  segid "    " and resid 59   and name HE# )
      3.600     1.600     1.600 peak   848 spectrum    1 weight  0.10000E+01 volume  0.10404E-02 ppm1      0.592 ppm2      7.200 CV     1
 ASSI !  849!
   (  segid "    " and resid 49   and name HD2#)
   (  segid "    " and resid 59   and name HE# )
      3.100     1.200     1.200 peak   849 spectrum    1 weight  0.10000E+01 volume  0.15253E-02 ppm1     -1.141 ppm2      7.206 CV     1
 ASSI !  850!
   (( segid "    " and resid 53   and name HB  ))
   (  segid "    " and resid 59   and name HE# )
      4.100     2.100     1.900 peak   850 spectrum    1 weight  0.10000E+01 volume  0.52114E-03 ppm1      4.335 ppm2      7.216 CV     1
 ASSI !  851!
   (  segid "    " and resid 53   and name HG2#)
   (  segid "    " and resid 59   and name HE# )
      3.100     1.200     1.200 peak   851 spectrum    1 weight  0.10000E+01 volume  0.42765E-02 ppm1      0.243 ppm2      7.215 CV     1
 ASSI !  852!
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 59   and name HE# )
      2.600     0.900     0.900 peak   852 spectrum    1 weight  0.10000E+01 volume  0.13793E-02 ppm1      4.147 ppm2      7.203 CV     1
 ASSI !  853!
   (( segid "    " and resid 59   and name HB1 ))
   (  segid "    " and resid 59   and name HE# )
      4.500     2.600     1.500 peak   853 spectrum    1 weight  0.10000E+01 volume  0.73050E-03 ppm1      2.991 ppm2      7.212 CV     1
 ASSI !  854!
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 59   and name HE# )
      4.400     2.400     1.600 peak   854 spectrum    1 weight  0.10000E+01 volume  0.10124E-02 ppm1      2.805 ppm2      7.212 CV     1
 ASSI !  855!
   (( segid "    " and resid 100  and name HD2 ))
   (  segid "    " and resid 59   and name HE# )
      3.800     1.800     1.800 peak   855 spectrum    1 weight  0.10000E+01 volume  0.56687E-03 ppm1      1.516 ppm2      7.224 CV     1
 ASSI !  856!
   (( segid "    " and resid 100  and name HE1 ))
   (  segid "    " and resid 59   and name HE# )
      3.400     1.500     1.500 peak   856 spectrum    1 weight  0.10000E+01 volume  0.82445E-03 ppm1      3.065 ppm2      7.215 CV     1
 ASSI !  857!
   (( segid "    " and resid 100  and name HE2 ))
   (  segid "    " and resid 59   and name HE# )
      3.200     1.300     1.300 peak   857 spectrum    1 weight  0.10000E+01 volume  0.72535E-03 ppm1      2.718 ppm2      7.218 CV     1
 ASSI !  858!
   (( segid "    " and resid 100  and name HG1 ))
   (  segid "    " and resid 59   and name HE# )
      3.100     1.200     1.200 peak   858 spectrum    1 weight  0.10000E+01 volume  0.14954E-02 ppm1      1.342 ppm2      7.218 CV     1
 ASSI !  859!
   (( segid "    " and resid 100  and name HG2 ))
   (  segid "    " and resid 59   and name HE# )
      4.400     2.400     1.600 peak   859 spectrum    1 weight  0.10000E+01 volume  0.55540E-03 ppm1      0.472 ppm2      7.215 CV     1
 ASSI !  860!
   (( segid "    " and resid 108 and name HB2 ) or ( segid "    " and resid 108 and name HB1 ))
   (  segid "    " and resid 59   and name HE# )
      3.300     1.400     1.400 peak   860 spectrum    1 weight  0.10000E+01 volume  0.72681E-03 ppm1      2.225 ppm2      7.209 CV     1
 ASSI !  864!
   (  segid "    " and resid 57   and name HB# )
   (( segid "    " and resid 59   and name HN  ))
      5.100     3.200     0.900 peak   864 spectrum    1 weight  0.10000E+01 volume  0.56807E-03 ppm1      1.498 ppm2      7.368 CV     1
 ASSI !  865!
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      3.300     1.400     1.400 peak   865 spectrum    1 weight  0.10000E+01 volume  0.12594E-02 ppm1      4.259 ppm2      7.365 CV     1
 ASSI !  874!
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 59   and name HN  ))
      4.400     2.500     1.600 peak   874 spectrum    1 weight  0.10000E+01 volume  0.49880E-03 ppm1      1.890 ppm2      7.344 CV     1
 ASSI !  875!
   (  segid "    " and resid 53   and name HG2#)
   (( segid "    " and resid 59   and name HZ  ))
      2.900     1.000     1.000 peak   875 spectrum    1 weight  0.10000E+01 volume  0.14725E-02 ppm1      0.237 ppm2      6.993 CV     1
 ASSI !  876!
   (( segid "    " and resid 100  and name HE1 ))
   (( segid "    " and resid 59   and name HZ  ))
      4.100     2.100     1.900 peak   876 spectrum    1 weight  0.10000E+01 volume  0.50328E-03 ppm1      3.071 ppm2      7.002 CV     1
 ASSI !  877!
   (( segid "    " and resid 108 and name HB2 ) or ( segid "    " and resid 108 and name HB1 ))
   (( segid "    " and resid 59   and name HZ  ))
      3.700     1.700     1.700 peak   877 spectrum    1 weight  0.10000E+01 volume  0.68810E-03 ppm1      2.207 ppm2      6.993 CV     1
 ASSI !  879!
   (( segid "    " and resid 60  and name HB1 ) or ( segid "    " and resid 60  and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.400     0.700     0.700 peak   879 spectrum    1 weight  0.10000E+01 volume  0.57521E-02 ppm1      2.034 ppm2      4.478 CV     1
 ASSI !  880!
   (( segid "    " and resid 60   and name HG1 ))
   (( segid "    " and resid 60   and name HA  ))
      2.700     0.900     0.900 peak   880 spectrum    1 weight  0.10000E+01 volume  0.33626E-02 ppm1      2.469 ppm2      4.475 CV     1
 ASSI !  881!
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
      3.500     1.500     1.500 peak   881 spectrum    1 weight  0.10000E+01 volume  0.19203E-02 ppm1      2.283 ppm2      4.481 CV     1
 ASSI !  882!
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60  and name HB1 ) or ( segid "    " and resid 60  and name HB2 ))
      4.300     2.300     1.700 peak   882 spectrum    1 weight  0.10000E+01 volume  0.69271E-03 ppm1      4.624 ppm2      2.034 CV     1
 ASSI !  885!
   (( segid "    " and resid 60   and name HG1 ))
   (( segid "    " and resid 60  and name HB1 ) or ( segid "    " and resid 60  and name HB2 ))
      2.400     0.700     0.700 peak   885 spectrum    1 weight  0.10000E+01 volume  0.70920E-02 ppm1      2.466 ppm2      2.037 CV     1
 ASSI !  886!
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60  and name HB2 ) or ( segid "    " and resid 60  and name HB1 ))
      2.200     0.600     0.600 peak   886 spectrum    1 weight  0.10000E+01 volume  0.87071E-02 ppm1      2.283 ppm2      2.037 CV     1
 ASSI !  887!
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 60  and name HB1 ) or ( segid "    " and resid 60  and name HB2 ))
      2.200     0.600     0.600 peak   887 spectrum    1 weight  0.10000E+01 volume  0.46773E-02 ppm1      4.190 ppm2      2.034 CV     1
 ASSI !  890!
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 60   and name HG1 ))
      1.700     0.400     0.500 peak   890 spectrum    1 weight  0.10000E+01 volume  0.14062E-01 ppm1      2.286 ppm2      2.463 CV     1
 ASSI !  894!
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 60   and name HG2 ))
      4.800     2.900     1.200 peak   894 spectrum    1 weight  0.10000E+01 volume  0.35067E-03 ppm1      3.223 ppm2      2.286 CV     1
 ASSI !  895!
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 60   and name HG2 ))
      3.800     1.800     1.800 peak   895 spectrum    1 weight  0.10000E+01 volume  0.89206E-03 ppm1      2.977 ppm2      2.283 CV     1
 ASSI !  896!
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.300     0.600     0.600 peak   896 spectrum    1 weight  0.10000E+01 volume  0.49286E-02 ppm1      4.620 ppm2      9.228 CV     1
 ASSI !  900!
   (( segid "    " and resid 60  and name HB2 ) or ( segid "    " and resid 60  and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
      2.400     0.700     0.700 peak   900 spectrum    1 weight  0.10000E+01 volume  0.58759E-02 ppm1      2.034 ppm2      9.227 CV     1
 ASSI !  903!
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
      5.000     3.200     1.000 peak   903 spectrum    1 weight  0.10000E+01 volume  0.30780E-03 ppm1      1.261 ppm2      9.227 CV     1
 ASSI !  904!
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      5.300     3.500     0.700 peak   904 spectrum    1 weight  0.10000E+01 volume  0.47076E-03 ppm1      1.093 ppm2      9.224 CV     1
 ASSI !  905!
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      2.500     0.800     0.800 peak   905 spectrum    1 weight  0.10000E+01 volume  0.24824E-02 ppm1      4.532 ppm2      9.227 CV     1
 ASSI !  906!
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 60   and name HN  ))
      4.600     2.600     1.400 peak   906 spectrum    1 weight  0.10000E+01 volume  0.77884E-03 ppm1      4.181 ppm2      9.226 CV     1
 ASSI !  907!
   (( segid "    " and resid 101 and name HB2 ) or ( segid "    " and resid 101 and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
      4.700     2.700     1.300 peak   907 spectrum    1 weight  0.10000E+01 volume  0.53385E-03 ppm1      1.809 ppm2      9.230 CV     1
 ASSI !  909!
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HA  ))
      2.600     0.800     0.800 peak   909 spectrum    1 weight  0.10000E+01 volume  0.25223E-02 ppm1      1.261 ppm2      5.074 CV     1
 ASSI !  910!
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HA  ))
      2.400     0.700     0.700 peak   910 spectrum    1 weight  0.10000E+01 volume  0.20426E-02 ppm1      1.099 ppm2      5.074 CV     1
 ASSI !  911!
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HA  ))
      3.800     1.800     1.800 peak   911 spectrum    1 weight  0.10000E+01 volume  0.53518E-03 ppm1      1.138 ppm2      5.059 CV     1
 ASSI !  912!
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 61   and name HA  ))
      2.400     0.700     0.700 peak   912 spectrum    1 weight  0.10000E+01 volume  0.31282E-02 ppm1      4.527 ppm2      5.072 CV     1
 ASSI !  913!
   (  segid "    " and resid 76   and name HD1#)
   (( segid "    " and resid 61   and name HA  ))
      3.700     1.700     1.700 peak   913 spectrum    1 weight  0.10000E+01 volume  0.97483E-03 ppm1      0.925 ppm2      5.074 CV     1
 ASSI !  914!
   (  segid "    " and resid 76   and name HD2#)
   (( segid "    " and resid 61   and name HA  ))
      4.600     2.700     1.400 peak   914 spectrum    1 weight  0.10000E+01 volume  0.89900E-03 ppm1      0.923 ppm2      5.077 CV     1
 ASSI !  915!
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 61   and name HA  ))
      2.500     0.800     0.800 peak   915 spectrum    1 weight  0.10000E+01 volume  0.21651E-02 ppm1      1.504 ppm2      5.071 CV     1
 ASSI !  916!
   (( segid "    " and resid 60   and name HG1 ))
   (( segid "    " and resid 61   and name HB1 ))
      4.800     2.800     1.200 peak   916 spectrum    1 weight  0.10000E+01 volume  0.36283E-03 ppm1      2.472 ppm2      1.270 CV     1
 ASSI !  917!
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 61   and name HB1 ))
      3.000     1.100     1.100 peak   917 spectrum    1 weight  0.10000E+01 volume  0.58605E-03 ppm1      2.283 ppm2      1.270 CV     1
 ASSI !  920!
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HB1 ))
      3.400     1.400     1.400 peak   920 spectrum    1 weight  0.10000E+01 volume  0.22593E-02 ppm1      0.991 ppm2      1.261 CV     1
 ASSI !  921!
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HB1 ))
      2.400     0.700     0.700 peak   921 spectrum    1 weight  0.10000E+01 volume  0.63365E-02 ppm1      1.150 ppm2      1.255 CV     1
 ASSI !  922!
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HB1 ))
      2.400     0.700     0.700 peak   922 spectrum    1 weight  0.10000E+01 volume  0.19221E-02 ppm1      0.745 ppm2      1.255 CV     1
 ASSI !  928!
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HD1 ))
      1.600     0.300     0.600 peak   928 spectrum    1 weight  0.10000E+01 volume  0.10856E-01 ppm1      0.877 ppm2      0.982 CV     1
 ASSI !  929!
   (( segid "    " and resid 61   and name HE1 ))
   (( segid "    " and resid 61   and name HD1 ))
      2.900     1.000     1.000 peak   929 spectrum    1 weight  0.10000E+01 volume  0.31288E-02 ppm1      2.256 ppm2      0.997 CV     1
 ASSI !  930!
   (( segid "    " and resid 61   and name HE2 ))
   (( segid "    " and resid 61   and name HD1 ))
      2.500     0.800     0.800 peak   930 spectrum    1 weight  0.10000E+01 volume  0.31157E-02 ppm1      2.094 ppm2      1.000 CV     1
 ASSI !  931!
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HD2 ))
      3.700     1.700     1.700 peak   931 spectrum    1 weight  0.10000E+01 volume  0.29983E-02 ppm1      1.264 ppm2      0.886 CV     1
 ASSI !  932!
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HD2 ))
      3.100     1.200     1.200 peak   932 spectrum    1 weight  0.10000E+01 volume  0.24429E-02 ppm1      1.093 ppm2      0.883 CV     1
 ASSI !  935!
   (( segid "    " and resid 61   and name HE1 ))
   (( segid "    " and resid 61   and name HD2 ))
      2.600     0.800     0.800 peak   935 spectrum    1 weight  0.10000E+01 volume  0.25986E-02 ppm1      2.256 ppm2      0.874 CV     1
 ASSI !  936!
   (( segid "    " and resid 61   and name HE2 ))
   (( segid "    " and resid 61   and name HD2 ))
      2.900     1.000     1.000 peak   936 spectrum    1 weight  0.10000E+01 volume  0.34196E-02 ppm1      2.091 ppm2      0.874 CV     1
 ASSI !  937!
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HE1 ))
      4.300     2.400     1.700 peak   937 spectrum    1 weight  0.10000E+01 volume  0.94306E-03 ppm1      1.255 ppm2      2.268 CV     1
 ASSI !  938!
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HE1 ))
      4.400     2.400     1.600 peak   938 spectrum    1 weight  0.10000E+01 volume  0.76331E-03 ppm1      1.102 ppm2      2.262 CV     1
 ASSI !  944!
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HE2 ))
      4.300     2.300     1.700 peak   944 spectrum    1 weight  0.10000E+01 volume  0.55615E-03 ppm1      1.249 ppm2      2.076 CV     1
 ASSI !  949!
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HE2 ))
      3.600     1.600     1.600 peak   949 spectrum    1 weight  0.10000E+01 volume  0.17713E-02 ppm1      1.147 ppm2      2.088 CV     1
 ASSI !  951!
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HG1 ))
      2.700     0.900     0.900 peak   951 spectrum    1 weight  0.10000E+01 volume  0.36592E-02 ppm1      0.991 ppm2      1.144 CV     1
 ASSI !  952!
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HG1 ))
      2.200     0.600     0.600 peak   952 spectrum    1 weight  0.10000E+01 volume  0.42624E-02 ppm1      0.880 ppm2      1.138 CV     1
 ASSI !  953!
   (( segid "    " and resid 61   and name HE1 ))
   (( segid "    " and resid 61   and name HG1 ))
      3.300     1.300     1.300 peak   953 spectrum    1 weight  0.10000E+01 volume  0.20732E-02 ppm1      2.256 ppm2      1.132 CV     1
 ASSI !  955!
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HG1 ))
      1.700     0.400     0.500 peak   955 spectrum    1 weight  0.10000E+01 volume  0.67477E-02 ppm1      0.739 ppm2      1.132 CV     1
 ASSI !  956!
   (  segid "    " and resid 63   and name HG2#)
   (( segid "    " and resid 61   and name HG1 ))
      4.300     2.300     1.700 peak   956 spectrum    1 weight  0.10000E+01 volume  0.14644E-02 ppm1      0.246 ppm2      1.141 CV     1
 ASSI !  957!
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 61   and name HG1 ))
      4.800     2.900     1.200 peak   957 spectrum    1 weight  0.10000E+01 volume  0.53235E-03 ppm1      3.223 ppm2      1.132 CV     1
 ASSI !  960!
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HG2 ))
      2.800     1.000     1.000 peak   960 spectrum    1 weight  0.10000E+01 volume  0.24841E-02 ppm1      1.099 ppm2      0.739 CV     1
 ASSI !  961!
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HG2 ))
      2.600     0.800     0.800 peak   961 spectrum    1 weight  0.10000E+01 volume  0.39889E-02 ppm1      0.985 ppm2      0.745 CV     1
 ASSI !  962!
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HG2 ))
      2.800     0.900     0.900 peak   962 spectrum    1 weight  0.10000E+01 volume  0.35152E-02 ppm1      0.880 ppm2      0.748 CV     1
 ASSI !  963!
   (( segid "    " and resid 61   and name HE1 ))
   (( segid "    " and resid 61   and name HG2 ))
      2.700     0.900     0.900 peak   963 spectrum    1 weight  0.10000E+01 volume  0.20971E-02 ppm1      2.259 ppm2      0.733 CV     1
 ASSI !  964!
   (( segid "    " and resid 61   and name HE2 ))
   (( segid "    " and resid 61   and name HG2 ))
      2.800     1.000     1.000 peak   964 spectrum    1 weight  0.10000E+01 volume  0.21687E-02 ppm1      2.091 ppm2      0.736 CV     1
 ASSI !  968!
   (( segid "    " and resid 60  and name HB2 ) or ( segid "    " and resid 60  and name HB1 ))
   (( segid "    " and resid 61   and name HN  ))
      2.600     0.800     0.800 peak   968 spectrum    1 weight  0.10000E+01 volume  0.29846E-02 ppm1      2.034 ppm2      7.998 CV     1
 ASSI !  970!
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 61   and name HN  ))
      3.700     1.700     1.700 peak   970 spectrum    1 weight  0.10000E+01 volume  0.82598E-03 ppm1      2.286 ppm2      7.992 CV     1
 ASSI !  978!
   (  segid "    " and resid 76   and name HD1#)
   (( segid "    " and resid 61   and name HN  ))
      3.300     1.400     1.400 peak   978 spectrum    1 weight  0.10000E+01 volume  0.15133E-02 ppm1      0.925 ppm2      7.998 CV     1
 ASSI !  982!
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HA  ))
      2.500     0.800     0.800 peak   982 spectrum    1 weight  0.10000E+01 volume  0.27338E-02 ppm1      1.240 ppm2      5.629 CV     1
 ASSI !  983!
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      2.500     0.800     0.800 peak   983 spectrum    1 weight  0.10000E+01 volume  0.25202E-02 ppm1      0.853 ppm2      5.629 CV     1
 ASSI !  984!
   (( segid "    " and resid 62   and name HG1 ))
   (( segid "    " and resid 62   and name HA  ))
      4.000     2.000     2.000 peak   984 spectrum    1 weight  0.10000E+01 volume  0.66397E-03 ppm1      2.421 ppm2      5.629 CV     1
 ASSI !  985!
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 62   and name HA  ))
      4.100     2.100     1.900 peak   985 spectrum    1 weight  0.10000E+01 volume  0.66285E-03 ppm1      2.094 ppm2      5.626 CV     1
 ASSI !  986!
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 62   and name HA  ))
      4.300     2.300     1.700 peak   986 spectrum    1 weight  0.10000E+01 volume  0.80925E-03 ppm1      1.785 ppm2      5.629 CV     1
 ASSI !  987!
   (  segid "    " and resid 63   and name HG1#)
   (( segid "    " and resid 62   and name HA  ))
      4.900     3.000     1.100 peak   987 spectrum    1 weight  0.10000E+01 volume  0.63062E-03 ppm1      0.750 ppm2      5.632 CV     1
 ASSI !  988!
   (  segid "    " and resid 96   and name HG2#)
   (( segid "    " and resid 62   and name HA  ))
      4.100     2.100     1.900 peak   988 spectrum    1 weight  0.10000E+01 volume  0.85792E-03 ppm1      0.645 ppm2      5.632 CV     1
 ASSI !  992!
   (( segid "    " and resid 62   and name HG1 ))
   (( segid "    " and resid 62   and name HB1 ))
      3.400     1.400     1.400 peak   992 spectrum    1 weight  0.10000E+01 volume  0.12027E-02 ppm1      2.418 ppm2      1.243 CV     1
 ASSI !  993!
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 62   and name HB1 ))
      2.700     0.900     0.900 peak   993 spectrum    1 weight  0.10000E+01 volume  0.13190E-02 ppm1      2.100 ppm2      1.243 CV     1
 ASSI !  994!
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 62   and name HB1 ))
      5.100     3.200     0.900 peak   994 spectrum    1 weight  0.10000E+01 volume  0.42412E-03 ppm1      1.833 ppm2      1.240 CV     1
 ASSI !  998!
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 62   and name HE# )
      4.000     2.000     2.000 peak   998 spectrum    1 weight  0.10000E+01 volume  0.40709E-03 ppm1      2.451 ppm2      1.996 CV     1
 ASSI ! 1000!
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 62   and name HE# )
      4.700     2.800     1.300 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.45037E-03 ppm1      1.240 ppm2      2.007 CV     1
 ASSI ! 1001!
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 62   and name HE# )
      4.700     2.800     1.300 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.40462E-03 ppm1      0.859 ppm2      2.001 CV     1
 ASSI ! 1003!
   (  segid "    " and resid 64   and name HD1#)
   (  segid "    " and resid 62   and name HE# )
      2.200     0.600     0.600 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.61081E-02 ppm1      0.616 ppm2      1.999 CV     1
 ASSI ! 1005!
   (  segid "    " and resid 74   and name HG1#)
   (  segid "    " and resid 62   and name HE# )
      2.400     0.700     0.700 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.10728E-01 ppm1      0.968 ppm2      1.999 CV     1
 ASSI ! 1006!
   (  segid "    " and resid 74   and name HG2#)
   (  segid "    " and resid 62   and name HE# )
      2.800     1.000     1.000 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.54423E-02 ppm1      0.759 ppm2      1.999 CV     1
 ASSI ! 1007!
   (  segid "    " and resid 76   and name HD2#)
   (  segid "    " and resid 62   and name HE# )
      2.100     0.600     0.600 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.10459E-01 ppm1      0.923 ppm2      1.999 CV     1
 ASSI ! 1008!
   (  segid "    " and resid 96   and name HG2#)
   (  segid "    " and resid 62   and name HE# )
      2.600     2.600     3.400 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.13271E-02 ppm1      0.642 ppm2      1.999 CV     1
 ASSI ! 1010!
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HG1 ))
      3.000     1.100     1.100 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.84085E-03 ppm1      0.853 ppm2      2.415 CV     1
 ASSI ! 1011!
   (  segid "    " and resid 62   and name HE# )
   (( segid "    " and resid 62   and name HG1 ))
      2.200     0.600     0.600 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.74990E-02 ppm1      1.999 ppm2      2.428 CV     1
 ASSI ! 1013!
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 62   and name HG1 ))
      1.600     0.300     0.600 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.90469E-02 ppm1      2.106 ppm2      2.421 CV     1
 ASSI ! 1014!
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 62   and name HG1 ))
      2.600     0.800     0.800 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.29127E-02 ppm1      1.839 ppm2      2.418 CV     1
 ASSI ! 1015!
   (  segid "    " and resid 74   and name HG1#)
   (( segid "    " and resid 62   and name HG1 ))
      4.000     2.000     2.000 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.16358E-02 ppm1      0.965 ppm2      2.424 CV     1
 ASSI ! 1016!
   (  segid "    " and resid 74   and name HG2#)
   (( segid "    " and resid 62   and name HG1 ))
      3.700     1.800     1.800 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.12982E-02 ppm1      0.756 ppm2      2.433 CV     1
 ASSI ! 1018!
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HG2 ))
      3.400     1.400     1.400 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.12697E-02 ppm1      0.856 ppm2      2.106 CV     1
 ASSI ! 1019!
   (  segid "    " and resid 64   and name HD1#)
   (( segid "    " and resid 62   and name HG2 ))
      4.800     2.800     1.200 peak  1019 spectrum    1 weight  0.10000E+01 volume  0.61965E-03 ppm1      0.622 ppm2      2.100 CV     1
 ASSI ! 1020!
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 62   and name HG2 ))
      2.600     0.900     0.900 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.27863E-02 ppm1      1.833 ppm2      2.109 CV     1
 ASSI ! 1021!
   (  segid "    " and resid 74   and name HG1#)
   (( segid "    " and resid 62   and name HG2 ))
      3.800     1.800     1.800 peak  1021 spectrum    1 weight  0.10000E+01 volume  0.98218E-03 ppm1      0.962 ppm2      2.085 CV     1
 ASSI ! 1022!
   (  segid "    " and resid 74   and name HG2#)
   (( segid "    " and resid 62   and name HG2 ))
      4.100     2.100     1.900 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.14234E-02 ppm1      0.756 ppm2      2.115 CV     1
 ASSI ! 1025!
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      2.400     0.700     0.700 peak  1025 spectrum    1 weight  0.10000E+01 volume  0.27902E-02 ppm1      1.093 ppm2      9.050 CV     1
 ASSI ! 1031!
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.800     1.000     1.000 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.14563E-02 ppm1      5.635 ppm2      9.050 CV     1
 ASSI ! 1034!
   (  segid "    " and resid 62   and name HE# )
   (( segid "    " and resid 62   and name HN  ))
      4.100     2.100     1.900 peak  1034 spectrum    1 weight  0.10000E+01 volume  0.16156E-02 ppm1      2.000 ppm2      9.042 CV     1
 ASSI ! 1035!
   (( segid "    " and resid 62   and name HG1 ))
   (( segid "    " and resid 62   and name HN  ))
      2.800     1.000     1.000 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.35931E-02 ppm1      2.424 ppm2      9.053 CV     1
 ASSI ! 1036!
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 62   and name HN  ))
      2.600     0.800     0.800 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.18668E-02 ppm1      2.103 ppm2      9.050 CV     1
 ASSI ! 1037!
   (  segid "    " and resid 63   and name HG1#)
   (( segid "    " and resid 62   and name HN  ))
      5.000     3.100     1.000 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.58946E-03 ppm1      0.757 ppm2      9.047 CV     1
 ASSI ! 1038!
   (  segid "    " and resid 64   and name HD1#)
   (( segid "    " and resid 62   and name HN  ))
      4.800     2.900     1.200 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.63681E-03 ppm1      0.619 ppm2      9.038 CV     1
 ASSI ! 1039!
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 62   and name HN  ))
      3.600     1.600     1.600 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.10372E-02 ppm1      1.842 ppm2      9.050 CV     1
 ASSI ! 1040!
   (  segid "    " and resid 74   and name HG2#)
   (( segid "    " and resid 62   and name HN  ))
      4.200     2.200     1.800 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.11425E-02 ppm1      0.753 ppm2      9.035 CV     1
 ASSI ! 1042!
   (  segid "    " and resid 76   and name HD1#)
   (( segid "    " and resid 62   and name HN  ))
      4.100     2.100     1.900 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.83259E-03 ppm1      0.922 ppm2      9.053 CV     1
 ASSI ! 1043!
   (  segid "    " and resid 76   and name HD2#)
   (( segid "    " and resid 62   and name HN  ))
      4.000     2.000     2.000 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.18279E-02 ppm1      0.938 ppm2      9.047 CV     1
 ASSI ! 1046!
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 63   and name HA  ))
      2.800     1.000     1.000 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.14919E-02 ppm1      1.776 ppm2      4.700 CV     1
 ASSI ! 1047!
   (  segid "    " and resid 63   and name HG1#)
   (( segid "    " and resid 63   and name HA  ))
      2.800     1.000     1.000 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.57239E-02 ppm1      0.762 ppm2      4.700 CV     1
 ASSI ! 1048!
   (  segid "    " and resid 63   and name HG2#)
   (( segid "    " and resid 63   and name HA  ))
      2.500     0.800     0.800 peak  1048 spectrum    1 weight  0.10000E+01 volume  0.45564E-02 ppm1      0.243 ppm2      4.697 CV     1
 ASSI ! 1049!
   (  segid "    " and resid 64   and name HD1#)
   (( segid "    " and resid 63   and name HA  ))
      4.800     2.900     1.200 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.74770E-03 ppm1      0.619 ppm2      4.693 CV     1
 ASSI ! 1052!
   (  segid "    " and resid 63   and name HG1#)
   (( segid "    " and resid 63   and name HB  ))
      2.200     0.600     0.600 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.74317E-02 ppm1      0.759 ppm2      1.777 CV     1
 ASSI ! 1053!
   (  segid "    " and resid 63   and name HG2#)
   (( segid "    " and resid 63   and name HB  ))
      2.300     0.700     0.700 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.74226E-02 ppm1      0.246 ppm2      1.774 CV     1
 ASSI ! 1058!
   (  segid "    " and resid 63   and name HG2#)
   (  segid "    " and resid 63   and name HG1#)
      2.200     0.600     0.600 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.13180E-01 ppm1      0.249 ppm2      0.754 CV     1
 ASSI ! 1064!
   (  segid "    " and resid 65   and name HD1#)
   (  segid "    " and resid 63   and name HG2#)
      3.800     1.800     1.800 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.15766E-02 ppm1      1.135 ppm2      0.254 CV     1
 ASSI ! 1065!
   (  segid "    " and resid 65   and name HD2#)
   (  segid "    " and resid 63   and name HG2#)
      2.500     0.800     0.800 peak  1065 spectrum    1 weight  0.10000E+01 volume  0.59706E-02 ppm1      0.962 ppm2      0.242 CV     1
 ASSI ! 1067!
   (( segid "    " and resid 73   and name HA  ))
   (  segid "    " and resid 63   and name HG2#)
      4.400     2.400     1.600 peak  1067 spectrum    1 weight  0.10000E+01 volume  0.50170E-03 ppm1      4.875 ppm2      0.250 CV     1
 ASSI ! 1068!
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.100     0.500     0.500 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.65649E-02 ppm1      5.629 ppm2      9.185 CV     1
 ASSI ! 1071!
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 63   and name HN  ))
      2.600     0.800     0.800 peak  1071 spectrum    1 weight  0.10000E+01 volume  0.32700E-02 ppm1      1.776 ppm2      9.182 CV     1
 ASSI ! 1072!
   (  segid "    " and resid 63   and name HG1#)
   (( segid "    " and resid 63   and name HN  ))
      2.400     0.700     0.700 peak  1072 spectrum    1 weight  0.10000E+01 volume  0.34793E-02 ppm1      0.759 ppm2      9.188 CV     1
 ASSI ! 1074!
   (  segid "    " and resid 96   and name HG2#)
   (( segid "    " and resid 63   and name HN  ))
      3.100     1.200     1.200 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.15358E-02 ppm1      0.639 ppm2      9.191 CV     1
 ASSI ! 1075!
   (  segid "    " and resid 45   and name HD1#)
   (( segid "    " and resid 64   and name HA  ))
      5.000     3.100     1.000 peak  1075 spectrum    1 weight  0.10000E+01 volume  0.42977E-03 ppm1      0.943 ppm2      4.298 CV     1
 ASSI ! 1078!
   (  segid "    " and resid 64   and name HD1#)
   (( segid "    " and resid 64   and name HA  ))
      4.600     2.700     1.400 peak  1078 spectrum    1 weight  0.10000E+01 volume  0.70126E-03 ppm1      0.613 ppm2      4.301 CV     1
 ASSI ! 1079!
   (( segid "    " and resid 64   and name HG11))
   (( segid "    " and resid 64   and name HA  ))
      3.000     1.100     1.100 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.15206E-02 ppm1      1.432 ppm2      4.301 CV     1
 ASSI ! 1080!
   (( segid "    " and resid 64   and name HG12))
   (( segid "    " and resid 64   and name HA  ))
      2.800     1.000     1.000 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.14198E-02 ppm1      1.108 ppm2      4.301 CV     1
 ASSI ! 1081!
   (  segid "    " and resid 64   and name HG2#)
   (( segid "    " and resid 64   and name HA  ))
      2.300     0.700     0.700 peak  1081 spectrum    1 weight  0.10000E+01 volume  0.50075E-02 ppm1      0.685 ppm2      4.301 CV     1
 ASSI ! 1082!
   (  segid "    " and resid 65   and name HD1#)
   (( segid "    " and resid 64   and name HA  ))
      4.600     2.600     1.400 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.13264E-02 ppm1      1.126 ppm2      4.295 CV     1
 ASSI ! 1083!
   (  segid "    " and resid 65   and name HD2#)
   (( segid "    " and resid 64   and name HA  ))
      3.800     1.800     1.800 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.24268E-02 ppm1      0.947 ppm2      4.310 CV     1
 ASSI ! 1084!
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 64   and name HA  ))
      2.500     0.800     0.800 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.26237E-02 ppm1      5.146 ppm2      4.301 CV     1
 ASSI ! 1085!
   (  segid "    " and resid 96   and name HG2#)
   (( segid "    " and resid 64   and name HA  ))
      2.600     0.800     0.800 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.26501E-02 ppm1      0.648 ppm2      4.301 CV     1
 ASSI ! 1086!
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HB  ))
      5.000     3.100     1.000 peak  1086 spectrum    1 weight  0.10000E+01 volume  0.52297E-03 ppm1      4.711 ppm2      1.902 CV     1
 ASSI ! 1087!
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB  ))
      3.000     1.200     1.200 peak  1087 spectrum    1 weight  0.10000E+01 volume  0.11859E-02 ppm1      4.305 ppm2      1.887 CV     1
 ASSI ! 1089!
   (  segid "    " and resid 64   and name HD1#)
   (( segid "    " and resid 64   and name HB  ))
      2.400     0.700     0.700 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.44402E-02 ppm1      0.622 ppm2      1.897 CV     1
 ASSI ! 1090!
   (  segid "    " and resid 64   and name HG2#)
   (( segid "    " and resid 64   and name HB  ))
      2.100     0.500     0.500 peak  1090 spectrum    1 weight  0.10000E+01 volume  0.79035E-02 ppm1      0.682 ppm2      1.894 CV     1
 ASSI ! 1091!
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 64   and name HB  ))
      4.900     3.000     1.100 peak  1091 spectrum    1 weight  0.10000E+01 volume  0.44439E-03 ppm1      4.873 ppm2      1.897 CV     1
 ASSI ! 1094!
   (  segid "    " and resid 41   and name HD2#)
   (  segid "    " and resid 64   and name HD1#)
      1.900     0.400     0.400 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.16321E-01 ppm1      0.911 ppm2      0.622 CV     1
 ASSI ! 1100!
   (( segid "    " and resid 74   and name HB  ))
   (  segid "    " and resid 64   and name HD1#)
      3.600     1.600     1.600 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.92076E-03 ppm1      1.836 ppm2      0.625 CV     1
 ASSI ! 1101!
   (  segid "    " and resid 62   and name HE# )
   (( segid "    " and resid 64   and name HG11))
      3.000     1.100     1.100 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.46254E-02 ppm1      1.996 ppm2      1.442 CV     1
 ASSI ! 1102!
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HG11))
      4.100     2.100     1.900 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.45108E-03 ppm1      4.708 ppm2      1.433 CV     1
 ASSI ! 1104!
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HG11))
      2.700     0.900     0.900 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.15240E-02 ppm1      1.899 ppm2      1.441 CV     1
 ASSI ! 1105!
   (  segid "    " and resid 64   and name HD1#)
   (( segid "    " and resid 64   and name HG11))
      2.200     0.600     0.600 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.60881E-02 ppm1      0.619 ppm2      1.444 CV     1
 ASSI ! 1106!
   (  segid "    " and resid 64   and name HG2#)
   (( segid "    " and resid 64   and name HG11))
      3.300     1.400     1.400 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.31473E-02 ppm1      0.679 ppm2      1.441 CV     1
 ASSI ! 1107!
   (  segid "    " and resid 45   and name HD1#)
   (( segid "    " and resid 64   and name HG12))
      2.300     0.700     0.700 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.39717E-02 ppm1      0.937 ppm2      1.108 CV     1
 ASSI ! 1109!
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HG12))
      3.600     1.600     1.600 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.65699E-03 ppm1      1.908 ppm2      1.105 CV     1
 ASSI ! 1110!
   (  segid "    " and resid 64   and name HD1#)
   (( segid "    " and resid 64   and name HG12))
      2.200     0.600     0.600 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.51665E-02 ppm1      0.622 ppm2      1.111 CV     1
 ASSI ! 1114!
   (( segid "    " and resid 93   and name HA  ))
   (  segid "    " and resid 64   and name HG2#)
      4.500     2.500     1.500 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.52990E-03 ppm1      3.832 ppm2      0.686 CV     1
 ASSI ! 1115!
   (( segid "    " and resid 93   and name HB2 ))
   (  segid "    " and resid 64   and name HG2#)
      4.100     2.100     1.900 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.63411E-03 ppm1      1.902 ppm2      0.682 CV     1
 ASSI ! 1116!
   (( segid "    " and resid 93   and name HG1 ) or ( segid "    " and resid 93  and name HG2 ))
   (  segid "    " and resid 64   and name HG2#)
      2.400     0.700     0.700 peak  1116 spectrum    1 weight  0.10000E+01 volume  0.56724E-02 ppm1      2.430 ppm2      0.682 CV     1
 ASSI ! 1117!
   (  segid "    " and resid 62   and name HE# )
   (( segid "    " and resid 64   and name HN  ))
      4.700     2.800     1.300 peak  1117 spectrum    1 weight  0.10000E+01 volume  0.10513E-02 ppm1      2.000 ppm2      9.233 CV     1
 ASSI ! 1118!
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.100     0.500     0.500 peak  1118 spectrum    1 weight  0.10000E+01 volume  0.67265E-02 ppm1      4.702 ppm2      9.246 CV     1
 ASSI ! 1119!
   (  segid "    " and resid 63   and name HG1#)
   (( segid "    " and resid 64   and name HN  ))
      3.200     1.300     1.300 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.35164E-02 ppm1      0.753 ppm2      9.236 CV     1
 ASSI ! 1120!
   (  segid "    " and resid 63   and name HG2#)
   (( segid "    " and resid 64   and name HN  ))
      2.800     1.000     1.000 peak  1120 spectrum    1 weight  0.10000E+01 volume  0.37867E-02 ppm1      0.246 ppm2      9.242 CV     1
 ASSI ! 1122!
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HN  ))
      2.500     0.800     0.800 peak  1122 spectrum    1 weight  0.10000E+01 volume  0.27251E-02 ppm1      1.896 ppm2      9.248 CV     1
 ASSI ! 1127!
   (  segid "    " and resid 65   and name HD1#)
   (( segid "    " and resid 64   and name HN  ))
      4.600     2.600     1.400 peak  1127 spectrum    1 weight  0.10000E+01 volume  0.80746E-03 ppm1      1.135 ppm2      9.245 CV     1
 ASSI ! 1132!
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HA  ))
      2.900     1.000     1.000 peak  1132 spectrum    1 weight  0.10000E+01 volume  0.12441E-02 ppm1      2.160 ppm2      5.533 CV     1
 ASSI ! 1133!
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HA  ))
      3.200     1.300     1.300 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.19950E-02 ppm1      1.677 ppm2      5.527 CV     1
 ASSI ! 1134!
   (  segid "    " and resid 65   and name HD1#)
   (( segid "    " and resid 65   and name HA  ))
      4.700     2.800     1.300 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.10625E-02 ppm1      1.135 ppm2      5.527 CV     1
 ASSI ! 1135!
   (  segid "    " and resid 65   and name HD2#)
   (( segid "    " and resid 65   and name HA  ))
      2.200     0.600     0.600 peak  1135 spectrum    1 weight  0.10000E+01 volume  0.82740E-02 ppm1      0.959 ppm2      5.536 CV     1
 ASSI ! 1136!
   (( segid "    " and resid 65   and name HG  ))
   (( segid "    " and resid 65   and name HA  ))
      3.600     1.600     1.600 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.83433E-03 ppm1      1.851 ppm2      5.542 CV     1
 ASSI ! 1138!
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak  1138 spectrum    1 weight  0.10000E+01 volume  0.14821E-02 ppm1      5.104 ppm2      5.530 CV     1
 ASSI ! 1141!
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HB1 ))
      1.900     0.400     0.400 peak  1141 spectrum    1 weight  0.10000E+01 volume  0.55079E-02 ppm1      1.686 ppm2      2.166 CV     1
 ASSI ! 1142!
   (  segid "    " and resid 65   and name HD1#)
   (( segid "    " and resid 65   and name HB1 ))
      3.000     1.100     1.100 peak  1142 spectrum    1 weight  0.10000E+01 volume  0.22857E-02 ppm1      1.141 ppm2      2.169 CV     1
 ASSI ! 1146!
   (  segid "    " and resid 65   and name HD1#)
   (( segid "    " and resid 65   and name HB2 ))
      2.900     1.100     1.100 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.22420E-02 ppm1      1.141 ppm2      1.696 CV     1
 ASSI ! 1147!
   (  segid "    " and resid 65   and name HD2#)
   (( segid "    " and resid 65   and name HB2 ))
      3.100     1.200     1.200 peak  1147 spectrum    1 weight  0.10000E+01 volume  0.82956E-02 ppm1      0.947 ppm2      1.684 CV     1
 ASSI ! 1148!
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 65   and name HB2 ))
      4.100     2.100     1.900 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.38914E-03 ppm1      2.907 ppm2      1.669 CV     1
 ASSI ! 1149!
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 65   and name HB2 ))
      5.300     3.500     0.700 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.46192E-03 ppm1      2.301 ppm2      1.681 CV     1
 ASSI ! 1150!
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 65   and name HB2 ))
      4.600     2.600     1.400 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.56222E-03 ppm1      2.760 ppm2      1.681 CV     1
 ASSI ! 1151!
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 65   and name HB2 ))
      4.900     3.000     1.100 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.46432E-03 ppm1      2.577 ppm2      1.675 CV     1
 ASSI ! 1161!
   (( segid "    " and resid 65   and name HB1 ))
   (  segid "    " and resid 65   and name HD2#)
      3.200     1.300     1.300 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.11977E-02 ppm1      2.166 ppm2      0.955 CV     1
 ASSI ! 1163!
   (  segid "    " and resid 65   and name HD1#)
   (  segid "    " and resid 65   and name HD2#)
      2.300     0.700     0.700 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.12076E-01 ppm1      1.138 ppm2      0.952 CV     1
 ASSI ! 1166!
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 65   and name HD2#)
      3.900     1.900     1.900 peak  1166 spectrum    1 weight  0.10000E+01 volume  0.85572E-03 ppm1      2.575 ppm2      0.955 CV     1
 ASSI ! 1167!
   (  segid "    " and resid 63   and name HG2#)
   (( segid "    " and resid 65   and name HG  ))
      3.000     1.100     1.100 peak  1167 spectrum    1 weight  0.10000E+01 volume  0.17950E-02 ppm1      0.243 ppm2      1.867 CV     1
 ASSI ! 1169!
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HG  ))
      3.100     1.200     1.200 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.25409E-02 ppm1      2.160 ppm2      1.861 CV     1
 ASSI ! 1170!
   (( segid "    " and resid 65   and name HB2 ))
   (( segid "    " and resid 65   and name HG  ))
      2.600     0.800     0.800 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.28369E-02 ppm1      1.680 ppm2      1.864 CV     1
 ASSI ! 1171!
   (  segid "    " and resid 65   and name HD1#)
   (( segid "    " and resid 65   and name HG  ))
      2.500     0.800     0.800 peak  1171 spectrum    1 weight  0.10000E+01 volume  0.50989E-02 ppm1      1.138 ppm2      1.873 CV     1
 ASSI ! 1172!
   (  segid "    " and resid 65   and name HD2#)
   (( segid "    " and resid 65   and name HG  ))
      2.000     0.500     0.500 peak  1172 spectrum    1 weight  0.10000E+01 volume  0.18995E-01 ppm1      0.953 ppm2      1.870 CV     1
 ASSI ! 1176!
   (  segid "    " and resid 64   and name HG2#)
   (( segid "    " and resid 65   and name HN  ))
      2.700     0.900     0.900 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.40113E-02 ppm1      0.682 ppm2      9.119 CV     1
 ASSI ! 1177!
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.900     1.000     1.000 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.17598E-02 ppm1      5.533 ppm2      9.113 CV     1
 ASSI ! 1178!
   (( segid "    " and resid 65   and name HB1 ))
   (( segid "    " and resid 65   and name HN  ))
      3.700     1.700     1.700 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.18379E-02 ppm1      2.163 ppm2      9.119 CV     1
 ASSI ! 1181!
   (  segid "    " and resid 65   and name HD2#)
   (( segid "    " and resid 65   and name HN  ))
      3.700     1.700     1.700 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.24228E-02 ppm1      0.959 ppm2      9.110 CV     1
 ASSI ! 1185!
   (  segid "    " and resid 96   and name HG2#)
   (( segid "    " and resid 65   and name HN  ))
      4.400     2.400     1.600 peak  1185 spectrum    1 weight  0.10000E+01 volume  0.12649E-02 ppm1      0.642 ppm2      9.128 CV     1
 ASSI ! 1187!
   (  segid "    " and resid 66   and name HG2#)
   (( segid "    " and resid 66   and name HA  ))
      2.600     0.800     0.800 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.49693E-02 ppm1      1.040 ppm2      5.209 CV     1
 ASSI ! 1189!
   (( segid "    " and resid 93   and name HG2 ) or ( segid "    " and resid 93  and name HG1 ))
   (( segid "    " and resid 66   and name HA  ))
      4.600     2.700     1.400 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.63926E-03 ppm1      2.433 ppm2      5.206 CV     1
 ASSI ! 1190!
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 66   and name HA  ))
      3.500     1.500     1.500 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.65761E-03 ppm1      2.910 ppm2      5.206 CV     1
 ASSI ! 1191!
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 66   and name HA  ))
      4.100     2.100     1.900 peak  1191 spectrum    1 weight  0.10000E+01 volume  0.66251E-03 ppm1      2.298 ppm2      5.209 CV     1
 ASSI ! 1192!
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 66   and name HB  ))
      2.400     0.700     0.700 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.30199E-02 ppm1      5.210 ppm2      4.154 CV     1
 ASSI ! 1194!
   (  segid "    " and resid 66   and name HG2#)
   (( segid "    " and resid 66   and name HB  ))
      2.100     0.500     0.500 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.93044E-02 ppm1      1.043 ppm2      4.154 CV     1
 ASSI ! 1195!
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 66   and name HG2#)
      3.800     1.800     1.800 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.10364E-02 ppm1      5.527 ppm2      1.045 CV     1
 ASSI ! 1199!
   (  segid "    " and resid 89   and name HD2#)
   (  segid "    " and resid 66   and name HG2#)
      2.200     0.600     0.600 peak  1199 spectrum    1 weight  0.10000E+01 volume  0.69267E-02 ppm1      0.225 ppm2      1.045 CV     1
 ASSI ! 1201!
   (( segid "    " and resid 93   and name HB1 ))
   (  segid "    " and resid 66   and name HG2#)
      5.100     3.200     0.900 peak  1201 spectrum    1 weight  0.10000E+01 volume  0.59075E-03 ppm1      2.079 ppm2      1.045 CV     1
 ASSI ! 1202!
   (( segid "    " and resid 93   and name HB2 ))
   (  segid "    " and resid 66   and name HG2#)
      3.600     1.600     1.600 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.93239E-03 ppm1      1.914 ppm2      1.048 CV     1
 ASSI ! 1203!
   (( segid "    " and resid 93   and name HG1 ) or ( segid "    " and resid 93  and name HG2 ))
   (  segid "    " and resid 66   and name HG2#)
      3.500     1.500     1.500 peak  1203 spectrum    1 weight  0.10000E+01 volume  0.17517E-02 ppm1      2.436 ppm2      1.045 CV     1
 ASSI ! 1213!
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      4.700     2.700     1.300 peak  1213 spectrum    1 weight  0.10000E+01 volume  0.47251E-03 ppm1      4.924 ppm2      8.627 CV     1
 ASSI ! 1214!
   (( segid "    " and resid 67  and name HB1 ) or ( segid "    " and resid 67  and name HB2 ))
   (( segid "    " and resid 67   and name HA  ))
      2.400     0.700     0.700 peak  1214 spectrum    1 weight  0.10000E+01 volume  0.35473E-02 ppm1      2.019 ppm2      4.463 CV     1
 ASSI ! 1215!
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HA  ))
      3.300     1.300     1.300 peak  1215 spectrum    1 weight  0.10000E+01 volume  0.16859E-02 ppm1      2.652 ppm2      4.469 CV     1
 ASSI ! 1216!
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HA  ))
      2.800     1.000     1.000 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.14252E-02 ppm1      2.562 ppm2      4.469 CV     1
 ASSI ! 1217!
   (  segid "    " and resid 116  and name HG2#)
   (( segid "    " and resid 67   and name HA  ))
      3.700     1.800     1.800 peak  1217 spectrum    1 weight  0.10000E+01 volume  0.83230E-03 ppm1      0.871 ppm2      4.478 CV     1
 ASSI ! 1218!
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 67   and name HA  ))
      2.300     0.700     0.700 peak  1218 spectrum    1 weight  0.10000E+01 volume  0.23862E-02 ppm1      4.909 ppm2      4.475 CV     1
 ASSI ! 1220!
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67  and name HB2 ) or ( segid "    " and resid 67  and name HB1 ))
      2.500     0.800     0.800 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.27474E-02 ppm1      2.640 ppm2      2.019 CV     1
 ASSI ! 1221!
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67  and name HB1 ) or ( segid "    " and resid 67  and name HB2 ))
      2.600     0.900     0.900 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.24983E-02 ppm1      2.559 ppm2      2.019 CV     1
 ASSI ! 1222!
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67  and name HB1 ) or ( segid "    " and resid 67  and name HB2 ))
      5.500     3.800     0.500 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.27840E-03 ppm1      3.773 ppm2      2.025 CV     1
 ASSI ! 1223!
   (( segid "    " and resid 91   and name HA1 ))
   (( segid "    " and resid 67  and name HB2 ) or ( segid "    " and resid 67  and name HB1 ))
      2.400     0.700     0.700 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.16415E-02 ppm1      4.160 ppm2      2.019 CV     1
 ASSI ! 1225!
   (  segid "    " and resid 116  and name HG2#)
   (( segid "    " and resid 67  and name HB1 ) or ( segid "    " and resid 67  and name HB2 ))
      3.900     1.900     1.900 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.72577E-03 ppm1      0.874 ppm2      2.022 CV     1
 ASSI ! 1226!
   (( segid "    " and resid 114  and name HA1 ))
   (( segid "    " and resid 67   and name HG1 ) or ( segid "    " and resid 67   and name HG2 ))
      3.800     1.800     1.800 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.40834E-03 ppm1      4.055 ppm2      2.610 CV     1
 ASSI ! 1227!
   (( segid "    " and resid 114  and name HA2 ))
   (( segid "    " and resid 67   and name HG1 ) or ( segid "    " and resid 67   and name HG2 ))
      3.400     1.400     1.400 peak  1227 spectrum    1 weight  0.10000E+01 volume  0.47641E-03 ppm1      3.188 ppm2      2.607 CV     1
 ASSI ! 1230!
   (  segid "    " and resid 116  and name HG2#)
   (( segid "    " and resid 67   and name HG1 ))
      3.900     1.900     1.900 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.16897E-02 ppm1      0.871 ppm2      2.649 CV     1
 ASSI ! 1234!
   (  segid "    " and resid 66   and name HG2#)
   (( segid "    " and resid 67   and name HN  ))
      3.800     1.800     1.800 peak  1234 spectrum    1 weight  0.10000E+01 volume  0.22956E-02 ppm1      1.043 ppm2      8.582 CV     1
 ASSI ! 1235!
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.200     0.600     0.600 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.66916E-02 ppm1      4.469 ppm2      8.578 CV     1
 ASSI ! 1236!
   (( segid "    " and resid 67  and name HB2 ) or ( segid "    " and resid 67  and name HB1 ))
   (( segid "    " and resid 67   and name HN  ))
      2.400     0.700     0.700 peak  1236 spectrum    1 weight  0.10000E+01 volume  0.59158E-02 ppm1      2.019 ppm2      8.579 CV     1
 ASSI ! 1238!
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
      3.100     1.200     1.200 peak  1238 spectrum    1 weight  0.10000E+01 volume  0.10498E-02 ppm1      3.197 ppm2      3.764 CV     1
 ASSI ! 1239!
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      3.100     1.200     1.200 peak  1239 spectrum    1 weight  0.10000E+01 volume  0.21525E-02 ppm1      2.838 ppm2      3.761 CV     1
 ASSI ! 1240!
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 68   and name HA  ))
      2.600     0.800     0.800 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.35957E-02 ppm1      4.639 ppm2      3.767 CV     1
 ASSI ! 1243!
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 68   and name HB1 ))
      3.200     1.300     1.300 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.13633E-02 ppm1      1.671 ppm2      3.189 CV     1
 ASSI ! 1247!
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 68   and name HB2 ))
      2.700     0.900     0.900 peak  1247 spectrum    1 weight  0.10000E+01 volume  0.89015E-03 ppm1      1.668 ppm2      2.835 CV     1
 ASSI ! 1248!
   (( segid "    " and resid 67  and name HB2 ) or ( segid "    " and resid 67  and name HB1 ))
   (( segid "    " and resid 68   and name HD21))
      3.000     1.100     1.100 peak  1248 spectrum    1 weight  0.10000E+01 volume  0.70616E-03 ppm1      2.016 ppm2      7.848 CV     1
 ASSI ! 1249!
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 68   and name HD21))
      3.300     1.400     1.400 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.32364E-02 ppm1      3.194 ppm2      7.842 CV     1
 ASSI ! 1250!
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HD21))
      2.300     0.700     0.700 peak  1250 spectrum    1 weight  0.10000E+01 volume  0.26506E-02 ppm1      2.841 ppm2      7.845 CV     1
 ASSI ! 1251!
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 68   and name HD21))
      4.000     2.000     2.000 peak  1251 spectrum    1 weight  0.10000E+01 volume  0.80833E-03 ppm1      1.671 ppm2      7.830 CV     1
 ASSI ! 1252!
   (  segid "    " and resid 90   and name HD2#)
   (( segid "    " and resid 68   and name HD21))
      2.700     2.700     3.300 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.10228E-02 ppm1      1.031 ppm2      7.833 CV     1
 ASSI ! 1253!
   (( segid "    " and resid 91   and name HA1 ))
   (( segid "    " and resid 68   and name HD21))
      2.700     0.900     0.900 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.14343E-02 ppm1      4.163 ppm2      7.839 CV     1
 ASSI ! 1254!
   (( segid "    " and resid 91   and name HA2 ))
   (( segid "    " and resid 68   and name HD21))
      3.600     1.600     1.600 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.11676E-02 ppm1      3.899 ppm2      7.836 CV     1
 ASSI ! 1256!
   (( segid "    " and resid 67  and name HB2 ) or ( segid "    " and resid 67  and name HB1 ))
   (( segid "    " and resid 68   and name HD22))
      4.100     2.100     1.900 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.81913E-03 ppm1      2.019 ppm2      7.152 CV     1
 ASSI ! 1258!
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 68   and name HD22))
      3.900     1.900     1.900 peak  1258 spectrum    1 weight  0.10000E+01 volume  0.14080E-02 ppm1      2.841 ppm2      7.149 CV     1
 ASSI ! 1259!
   (  segid "    " and resid 90   and name HD2#)
   (( segid "    " and resid 68   and name HD22))
      3.200     3.200     2.800 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.39835E-03 ppm1      1.031 ppm2      7.149 CV     1
 ASSI ! 1260!
   (( segid "    " and resid 91   and name HA1 ))
   (( segid "    " and resid 68   and name HD22))
      3.800     1.800     1.800 peak  1260 spectrum    1 weight  0.10000E+01 volume  0.22718E-02 ppm1      4.166 ppm2      7.155 CV     1
 ASSI ! 1261!
   (( segid "    " and resid 91   and name HA2 ))
   (( segid "    " and resid 68   and name HD22))
      3.800     1.800     1.800 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.21978E-02 ppm1      3.890 ppm2      7.155 CV     1
 ASSI ! 1263!
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 68   and name HN  ))
      3.900     1.900     1.900 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.26267E-02 ppm1      2.655 ppm2      8.579 CV     1
 ASSI ! 1264!
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 68   and name HN  ))
      3.400     1.500     1.500 peak  1264 spectrum    1 weight  0.10000E+01 volume  0.34084E-02 ppm1      2.568 ppm2      8.579 CV     1
 ASSI ! 1265!
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.400     0.700     0.700 peak  1265 spectrum    1 weight  0.10000E+01 volume  0.35982E-02 ppm1      3.761 ppm2      8.579 CV     1
 ASSI ! 1269!
   (  segid "    " and resid 116  and name HG2#)
   (( segid "    " and resid 68   and name HN  ))
      3.600     1.600     1.600 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.11144E-02 ppm1      0.871 ppm2      8.585 CV     1
 ASSI ! 1270!
   (( segid "    " and resid 119  and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.800     1.000     1.000 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.21548E-02 ppm1      4.645 ppm2      8.578 CV     1
 ASSI ! 1273!
   (( segid "    " and resid 69   and name HB1 ) or ( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HA  ))
      2.600     0.800     0.800 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.44846E-02 ppm1      1.902 ppm2      3.932 CV     1
 
 ASSI ! 1274!
   (( segid "    " and resid 69  and name HD2 ) or ( segid "    " and resid 69  and name HD1 ))
   (( segid "    " and resid 69   and name HA  ))
      3.800     1.800     1.800 peak  1274 spectrum    1 weight  0.10000E+01 volume  0.30086E-02 ppm1      1.530 ppm2      3.935 CV     1
 ASSI ! 1275!
   (( segid "    " and resid 69  and name HE1 ) or ( segid "    " and resid 69  and name HE2 ))
   (( segid "    " and resid 69   and name HA  ))
      3.400     1.500     1.500 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.22378E-02 ppm1      2.835 ppm2      3.923 CV     1
 ASSI ! 1276!
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 69   and name HA  ))
      3.000     1.100     1.100 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.36005E-02 ppm1      1.040 ppm2      3.941 CV     1
 ASSI ! 1277!
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HA  ))
      2.700     0.900     0.900 peak  1277 spectrum    1 weight  0.10000E+01 volume  0.26243E-02 ppm1      0.962 ppm2      3.947 CV     1
 ASSI ! 1278!
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 69   and name HB2 ) or ( segid "    " and resid 69   and name HB1 ))
      2.700     0.900     0.900 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.35324E-02 ppm1      1.046 ppm2      1.906 CV     1
 
 ASSI ! 1279!
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.600     0.800     0.800 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.27721E-02 ppm1      3.932 ppm2      1.927 CV     1
 ASSI ! 1280!
   (( segid "    " and resid 69  and name HD2 ) or ( segid "    " and resid 69  and name HD1 ))
   (( segid "    " and resid 69   and name HB1 ))
      2.900     1.000     1.000 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.43284E-02 ppm1      1.530 ppm2      1.939 CV     1
 ASSI ! 1281!
   (( segid "    " and resid 69  and name HE1 ) or ( segid "    " and resid 69  and name HE2 ))
   (( segid "    " and resid 69   and name HB1 ))
      3.200     1.300     1.300 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.23208E-02 ppm1      2.838 ppm2      1.936 CV     1
 ASSI ! 1282!
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.100     1.200     1.200 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.32990E-02 ppm1      3.938 ppm2      1.894 CV     1
 ASSI ! 1283!
   (( segid "    " and resid 69  and name HD2 ) or ( segid "    " and resid 69  and name HD1 ))
   (( segid "    " and resid 69   and name HB2 ))
      2.800     1.000     1.000 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.50752E-02 ppm1      1.533 ppm2      1.876 CV     1
 ASSI ! 1284!
   (( segid "    " and resid 69  and name HE1 ) or ( segid "    " and resid 69  and name HE2 ))
   (( segid "    " and resid 69   and name HB2 ))
      2.900     1.100     1.100 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.27910E-02 ppm1      2.838 ppm2      1.885 CV     1
 ASSI ! 1286!
   (( segid "    " and resid 69  and name HE2 ) or ( segid "    " and resid 69  and name HE1 ))
   (( segid "    " and resid 69  and name HD1 ) or ( segid "    " and resid 69  and name HD2 ))
      2.400     0.700     0.700 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.78387E-02 ppm1      2.823 ppm2      1.525 CV     1
 ASSI ! 1287!
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 69  and name HD1 ) or ( segid "    " and resid 69  and name HD2 ))
      2.700     0.900     0.900 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.32703E-02 ppm1      1.052 ppm2      1.534 CV     1
 ASSI ! 1288!
   (( segid "    " and resid 69   and name HB2 ) or ( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69  and name HE1 ) or ( segid "    " and resid 69  and name HE2 ))
      3.600     1.600     1.600 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.92080E-03 ppm1      1.908 ppm2      2.835 CV     1
 ASSI ! 1291!
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69  and name HE1 ) or ( segid "    " and resid 69  and name HE2 ))
      3.500     1.500     1.500 peak  1291 spectrum    1 weight  0.10000E+01 volume  0.18610E-02 ppm1      0.947 ppm2      2.832 CV     1
 ASSI ! 1294!
   (( segid "    " and resid 69  and name HE2 ) or ( segid "    " and resid 69  and name HE1 ))
   (( segid "    " and resid 69   and name HG1 ))
      3.400     1.400     1.400 peak  1294 spectrum    1 weight  0.10000E+01 volume  0.13858E-02 ppm1      2.829 ppm2      1.054 CV     1
 ASSI ! 1297!
   (( segid "    " and resid 69  and name HD2 ) or ( segid "    " and resid 69  and name HD1 ))
   (( segid "    " and resid 69   and name HG2 ))
      2.600     0.800     0.800 peak  1297 spectrum    1 weight  0.10000E+01 volume  0.39336E-02 ppm1      1.530 ppm2      0.958 CV     1
 ASSI ! 1300!
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      3.300     1.300     1.300 peak  1300 spectrum    1 weight  0.10000E+01 volume  0.11191E-02 ppm1      3.770 ppm2      7.890 CV     1
 ASSI ! 1301!
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.200     0.600     0.600 peak  1301 spectrum    1 weight  0.10000E+01 volume  0.74936E-02 ppm1      3.935 ppm2      7.890 CV     1
 ASSI ! 1302!
   (( segid "    " and resid 69   and name HB2 ) or ( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      4.000     2.000     2.000 peak  1302 spectrum    1 weight  0.10000E+01 volume  0.10745E-02 ppm1      1.908 ppm2      7.887 CV     1
 ASSI ! 1304!
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 69   and name HN  ))
      2.700     0.900     0.900 peak  1304 spectrum    1 weight  0.10000E+01 volume  0.23418E-02 ppm1      1.043 ppm2      7.893 CV     1
 ASSI ! 1305!
   (( segid "    " and resid 69   and name HG2 ))
   (( segid "    " and resid 69   and name HN  ))
      3.500     1.500     1.500 peak  1305 spectrum    1 weight  0.10000E+01 volume  0.15721E-02 ppm1      0.953 ppm2      7.890 CV     1
 ASSI ! 1307!
   (  segid "    " and resid 90   and name HD1#)
   (( segid "    " and resid 70   and name HA1 ))
      3.500     1.500     1.500 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.26470E-02 ppm1      0.947 ppm2      4.364 CV     1
 ASSI ! 1309!
   (  segid "    " and resid 90   and name HD1#)
   (( segid "    " and resid 70   and name HA2 ))
      2.100     0.600     0.600 peak  1309 spectrum    1 weight  0.10000E+01 volume  0.43974E-02 ppm1      0.944 ppm2      3.881 CV     1
 ASSI ! 1310!
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      4.200     2.200     1.800 peak  1310 spectrum    1 weight  0.10000E+01 volume  0.45951E-03 ppm1      5.215 ppm2      6.996 CV     1
 ASSI ! 1312!
   (( segid "    " and resid 69   and name HB2 ) or ( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 70   and name HN  ))
      4.200     2.200     1.800 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.55943E-03 ppm1      1.911 ppm2      7.002 CV     1
 
 ASSI ! 1314!
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 70   and name HN  ))
      2.900     1.000     1.000 peak  1314 spectrum    1 weight  0.10000E+01 volume  0.25396E-02 ppm1      3.875 ppm2      6.999 CV     1
 ASSI ! 1316!
   (  segid "    " and resid 90   and name HD2#)
   (( segid "    " and resid 70   and name HN  ))
      2.800     2.800     3.200 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.83894E-03 ppm1      1.031 ppm2      6.999 CV     1
 ASSI ! 1317!
   (  segid "    " and resid 63   and name HG2#)
   (( segid "    " and resid 71   and name HA  ))
      4.000     2.000     2.000 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.75800E-03 ppm1      0.249 ppm2      5.101 CV     1
 ASSI ! 1319!
   (  segid "    " and resid 65   and name HD2#)
   (( segid "    " and resid 71   and name HA  ))
      2.800     0.900     0.900 peak  1319 spectrum    1 weight  0.10000E+01 volume  0.36440E-02 ppm1      0.953 ppm2      5.092 CV     1
 ASSI ! 1321!
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HA  ))
      3.200     1.300     1.300 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.24311E-02 ppm1      2.956 ppm2      5.092 CV     1
 ASSI ! 1322!
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HA  ))
      2.600     0.900     0.900 peak  1322 spectrum    1 weight  0.10000E+01 volume  0.28056E-02 ppm1      2.572 ppm2      5.095 CV     1
 ASSI ! 1323!
   (  segid "    " and resid 65   and name HD2#)
   (( segid "    " and resid 71   and name HB1 ))
      5.100     3.200     0.900 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.68340E-03 ppm1      0.956 ppm2      2.961 CV     1
 ASSI ! 1325!
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HB1 ))
      1.700     0.400     0.500 peak  1325 spectrum    1 weight  0.10000E+01 volume  0.12728E-01 ppm1      2.569 ppm2      2.961 CV     1
 ASSI ! 1328!
   (  segid "    " and resid 63   and name HG2#)
   (  segid "    " and resid 71   and name HD# )
      3.500     1.500     1.500 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.20850E-02 ppm1      0.249 ppm2      6.897 CV     1
 ASSI ! 1329!
   (  segid "    " and resid 65   and name HD2#)
   (  segid "    " and resid 71   and name HD# )
      2.400     0.700     0.700 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.72166E-02 ppm1      0.959 ppm2      6.893 CV     1
 ASSI ! 1330!
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 71   and name HD# )
      3.000     1.100     1.100 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.26353E-02 ppm1      2.953 ppm2      6.897 CV     1
 ASSI ! 1331!
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 71   and name HD# )
      2.600     0.900     0.900 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.37216E-02 ppm1      2.575 ppm2      6.894 CV     1
 ASSI ! 1332!
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 71   and name HD# )
      3.900     1.900     1.900 peak  1332 spectrum    1 weight  0.10000E+01 volume  0.41964E-03 ppm1      4.879 ppm2      6.885 CV     1
 ASSI ! 1333!
   (  segid "    " and resid 63   and name HG1#)
   (  segid "    " and resid 71   and name HE# )
      4.500     2.500     1.500 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.63332E-03 ppm1      0.753 ppm2      6.597 CV     1
 ASSI ! 1334!
   (  segid "    " and resid 63   and name HG2#)
   (  segid "    " and resid 71   and name HE# )
      3.200     1.300     1.300 peak  1334 spectrum    1 weight  0.10000E+01 volume  0.16467E-02 ppm1      0.252 ppm2      6.606 CV     1
 ASSI ! 1335!
   (  segid "    " and resid 65   and name HD2#)
   (  segid "    " and resid 71   and name HE# )
      3.200     1.300     1.300 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.18644E-02 ppm1      0.959 ppm2      6.609 CV     1
 ASSI ! 1336!
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 71   and name HN  ))
      3.400     1.400     1.400 peak  1336 spectrum    1 weight  0.10000E+01 volume  0.26745E-02 ppm1      4.361 ppm2      7.680 CV     1
 ASSI ! 1343!
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      2.900     1.100     1.100 peak  1343 spectrum    1 weight  0.10000E+01 volume  0.28741E-02 ppm1      2.692 ppm2      4.886 CV     1
 ASSI ! 1344!
   (  segid "    " and resid 38   and name HD2#)
   (( segid "    " and resid 72   and name HB1 ))
      2.900     1.100     1.100 peak  1344 spectrum    1 weight  0.10000E+01 volume  0.92524E-03 ppm1      0.483 ppm2      2.871 CV     1
 ASSI ! 1345!
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.400     1.400     1.400 peak  1345 spectrum    1 weight  0.10000E+01 volume  0.28710E-02 ppm1      1.899 ppm2      2.871 CV     1
 ASSI ! 1346!
   (  segid "    " and resid 64   and name HD1#)
   (( segid "    " and resid 72   and name HB1 ))
      3.200     1.300     1.300 peak  1346 spectrum    1 weight  0.10000E+01 volume  0.15992E-02 ppm1      0.616 ppm2      2.874 CV     1
 ASSI ! 1347!
   (  segid "    " and resid 64   and name HG2#)
   (( segid "    " and resid 72   and name HB1 ))
      4.700     2.800     1.300 peak  1347 spectrum    1 weight  0.10000E+01 volume  0.87628E-03 ppm1      0.682 ppm2      2.865 CV     1
 ASSI ! 1348!
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.700     0.900     0.900 peak  1348 spectrum    1 weight  0.10000E+01 volume  0.14446E-02 ppm1      4.873 ppm2      2.874 CV     1
 ASSI ! 1349!
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HB1 ))
      1.700     0.400     0.500 peak  1349 spectrum    1 weight  0.10000E+01 volume  0.60258E-02 ppm1      2.692 ppm2      2.865 CV     1
 ASSI ! 1350!
   (  segid "    " and resid 74   and name HG2#)
   (( segid "    " and resid 72   and name HB1 ))
      3.400     1.500     1.500 peak  1350 spectrum    1 weight  0.10000E+01 volume  0.70646E-03 ppm1      0.762 ppm2      2.871 CV     1
 ASSI ! 1351!
   (  segid "    " and resid 38   and name HD2#)
   (( segid "    " and resid 72   and name HB2 ))
      3.000     1.100     1.100 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.17102E-02 ppm1      0.489 ppm2      2.694 CV     1
 ASSI ! 1352!
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.300     0.700     0.700 peak  1352 spectrum    1 weight  0.10000E+01 volume  0.21928E-02 ppm1      1.896 ppm2      2.691 CV     1
 ASSI ! 1353!
   (  segid "    " and resid 64   and name HD1#)
   (( segid "    " and resid 72   and name HB2 ))
      3.200     1.300     1.300 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.13329E-02 ppm1      0.622 ppm2      2.697 CV     1
 ASSI ! 1354!
   (  segid "    " and resid 64   and name HG2#)
   (( segid "    " and resid 72   and name HB2 ))
      4.000     2.000     2.000 peak  1354 spectrum    1 weight  0.10000E+01 volume  0.62539E-03 ppm1      0.679 ppm2      2.694 CV     1
 ASSI ! 1357!
   (  segid "    " and resid 74   and name HG2#)
   (( segid "    " and resid 72   and name HB2 ))
      2.500     2.500     3.500 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.15153E-02 ppm1      0.753 ppm2      2.691 CV     1
 ASSI ! 1358!
   (  segid "    " and resid 38   and name HD1#)
   (  segid "    " and resid 72   and name HD# )
      2.700     0.900     0.900 peak  1358 spectrum    1 weight  0.10000E+01 volume  0.22764E-02 ppm1      0.839 ppm2      7.002 CV     1
 ASSI ! 1359!
   (  segid "    " and resid 38   and name HD2#)
   (  segid "    " and resid 72   and name HD# )
      3.900     1.900     1.900 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.13779E-02 ppm1      0.489 ppm2      7.008 CV     1
 ASSI ! 1360!
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 72   and name HD# )
      3.600     1.600     1.600 peak  1360 spectrum    1 weight  0.10000E+01 volume  0.18261E-02 ppm1      1.902 ppm2      7.011 CV     1
 ASSI ! 1361!
   (  segid "    " and resid 64   and name HD1#)
   (  segid "    " and resid 72   and name HD# )
      4.300     2.400     1.700 peak  1361 spectrum    1 weight  0.10000E+01 volume  0.10396E-02 ppm1      0.619 ppm2      7.017 CV     1
 ASSI ! 1362!
   (  segid "    " and resid 64   and name HG2#)
   (  segid "    " and resid 72   and name HD# )
      3.100     1.200     1.200 peak  1362 spectrum    1 weight  0.10000E+01 volume  0.30115E-02 ppm1      0.679 ppm2      7.014 CV     1
 ASSI ! 1363!
   (( segid "    " and resid 66   and name HB  ))
   (  segid "    " and resid 72   and name HD# )
      4.800     2.900     1.200 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.38589E-03 ppm1      4.151 ppm2      7.008 CV     1
 ASSI ! 1364!
   (  segid "    " and resid 66   and name HG2#)
   (  segid "    " and resid 72   and name HD# )
      2.500     0.800     0.800 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.35937E-02 ppm1      1.037 ppm2      7.014 CV     1
 ASSI ! 1365!
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 72   and name HD# )
      3.000     1.200     1.200 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.14162E-02 ppm1      4.873 ppm2      7.014 CV     1
 ASSI ! 1366!
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 72   and name HD# )
      2.900     1.000     1.000 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.21823E-02 ppm1      2.866 ppm2      7.017 CV     1
 ASSI ! 1367!
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 72   and name HD# )
      2.600     0.800     0.800 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.24026E-02 ppm1      2.695 ppm2      7.017 CV     1
 ASSI ! 1368!
   (  segid "    " and resid 74   and name HG2#)
   (  segid "    " and resid 72   and name HD# )
      3.000     3.000     3.000 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.61907E-03 ppm1      0.762 ppm2      7.017 CV     1
 ASSI ! 1369!
   (  segid "    " and resid 87   and name HG2#)
   (  segid "    " and resid 72   and name HD# )
      3.500     1.500     1.500 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.19224E-02 ppm1      0.983 ppm2      7.005 CV     1
 ASSI ! 1370!
   (  segid "    " and resid 89   and name HD2#)
   (  segid "    " and resid 72   and name HD# )
      3.200     1.300     1.300 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.12175E-02 ppm1      0.231 ppm2      7.011 CV     1
 ASSI ! 1371!
   (  segid "    " and resid 38   and name HD2#)
   (  segid "    " and resid 72   and name HE# )
      5.100     3.200     0.900 peak  1371 spectrum    1 weight  0.10000E+01 volume  0.47022E-03 ppm1      0.486 ppm2      6.810 CV     1
 ASSI ! 1372!
   (  segid "    " and resid 64   and name HD1#)
   (  segid "    " and resid 72   and name HE# )
      5.600     3.900     0.400 peak  1372 spectrum    1 weight  0.10000E+01 volume  0.29655E-03 ppm1      0.622 ppm2      6.792 CV     1
 ASSI ! 1373!
   (  segid "    " and resid 66   and name HG2#)
   (  segid "    " and resid 72   and name HE# )
      2.700     0.900     0.900 peak  1373 spectrum    1 weight  0.10000E+01 volume  0.53688E-02 ppm1      1.034 ppm2      6.810 CV     1
 ASSI ! 1374!
   (( segid "    " and resid 70   and name HA1 ))
   (  segid "    " and resid 72   and name HE# )
      3.200     1.300     1.300 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.77752E-03 ppm1      4.358 ppm2      6.804 CV     1
 ASSI ! 1375!
   (( segid "    " and resid 70   and name HA2 ))
   (  segid "    " and resid 72   and name HE# )
      4.400     2.400     1.600 peak  1375 spectrum    1 weight  0.10000E+01 volume  0.52795E-03 ppm1      3.875 ppm2      6.807 CV     1
 ASSI ! 1376!
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 72   and name HE# )
      5.500     3.800     0.500 peak  1376 spectrum    1 weight  0.10000E+01 volume  0.24216E-03 ppm1      2.866 ppm2      6.807 CV     1
 ASSI ! 1377!
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 72   and name HE# )
      4.900     3.000     1.100 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.46453E-03 ppm1      2.695 ppm2      6.810 CV     1
 ASSI ! 1378!
   (  segid "    " and resid 87   and name HG2#)
   (  segid "    " and resid 72   and name HE# )
      2.600     0.800     0.800 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.40768E-02 ppm1      0.986 ppm2      6.804 CV     1
 ASSI ! 1379!
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 72   and name HE# )
      4.000     2.000     2.000 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.46005E-03 ppm1      4.301 ppm2      6.795 CV     1
 ASSI ! 1380!
   (  segid "    " and resid 89   and name HD2#)
   (  segid "    " and resid 72   and name HE# )
      3.000     1.100     1.100 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.22273E-02 ppm1      0.234 ppm2      6.801 CV     1
 ASSI ! 1381!
   (  segid "    " and resid 90   and name HD2#)
   (  segid "    " and resid 72   and name HE# )
      3.100     3.100     2.900 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.44514E-03 ppm1      1.031 ppm2      6.816 CV     1
 ASSI ! 1382!
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      4.300     2.300     1.700 peak  1382 spectrum    1 weight  0.10000E+01 volume  0.76327E-03 ppm1      4.697 ppm2      9.111 CV     1
 ASSI ! 1383!
   (  segid "    " and resid 63   and name HG2#)
   (( segid "    " and resid 72   and name HN  ))
      3.200     1.300     1.300 peak  1383 spectrum    1 weight  0.10000E+01 volume  0.18851E-02 ppm1      0.249 ppm2      9.098 CV     1
 ASSI ! 1384!
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 72   and name HN  ))
      3.000     1.100     1.100 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.16566E-02 ppm1      1.899 ppm2      9.101 CV     1
 ASSI ! 1385!
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.200     0.600     0.600 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.88446E-02 ppm1      5.101 ppm2      9.098 CV     1
 ASSI ! 1391!
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 73   and name HA  ))
      2.500     0.800     0.800 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.32967E-02 ppm1      4.696 ppm2      4.880 CV     1
 ASSI ! 1392!
   (  segid "    " and resid 63   and name HG1#)
   (( segid "    " and resid 73   and name HA  ))
      3.900     1.900     1.900 peak  1392 spectrum    1 weight  0.10000E+01 volume  0.31943E-02 ppm1      0.753 ppm2      4.877 CV     1
 ASSI ! 1394!
   (( segid "    " and resid 73   and name HB  ))
   (( segid "    " and resid 73   and name HA  ))
      2.700     0.900     0.900 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.21055E-02 ppm1      4.038 ppm2      4.869 CV     1
 ASSI ! 1395!
   (  segid "    " and resid 73   and name HG2#)
   (( segid "    " and resid 73   and name HA  ))
      2.800     1.000     1.000 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.75962E-02 ppm1      0.932 ppm2      4.877 CV     1
 ASSI ! 1396!
   (  segid "    " and resid 63   and name HG1#)
   (( segid "    " and resid 73   and name HB  ))
      5.100     3.300     0.900 peak  1396 spectrum    1 weight  0.10000E+01 volume  0.51819E-03 ppm1      0.764 ppm2      4.022 CV     1
 ASSI ! 1397!
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HB  ))
      5.000     3.100     1.000 peak  1397 spectrum    1 weight  0.10000E+01 volume  0.55989E-03 ppm1      4.882 ppm2      4.025 CV     1
 ASSI ! 1400!
   (  segid "    " and resid 73   and name HG2#)
   (( segid "    " and resid 73   and name HB  ))
      2.100     0.600     0.600 peak  1400 spectrum    1 weight  0.10000E+01 volume  0.11904E-01 ppm1      0.926 ppm2      4.025 CV     1
 ASSI ! 1404!
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.100     0.500     0.500 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.86660E-02 ppm1      4.873 ppm2      9.023 CV     1
 ASSI ! 1407!
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      2.800     1.000     1.000 peak  1407 spectrum    1 weight  0.10000E+01 volume  0.21645E-02 ppm1      4.876 ppm2      9.024 CV     1
 ASSI ! 1409!
   (  segid "    " and resid 73   and name HG2#)
   (( segid "    " and resid 73   and name HN  ))
      2.700     0.900     0.900 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.23824E-02 ppm1      0.929 ppm2      9.029 CV     1
 ASSI ! 1410!
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 74   and name HA  ))
      3.200     1.200     1.200 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.12947E-02 ppm1      1.845 ppm2      4.427 CV     1
 ASSI ! 1411!
   (  segid "    " and resid 74   and name HG1#)
   (( segid "    " and resid 74   and name HA  ))
      2.400     0.700     0.700 peak  1411 spectrum    1 weight  0.10000E+01 volume  0.60333E-02 ppm1      0.974 ppm2      4.424 CV     1
 ASSI ! 1412!
   (  segid "    " and resid 74   and name HG2#)
   (( segid "    " and resid 74   and name HA  ))
      2.400     0.700     0.700 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.59810E-02 ppm1      0.762 ppm2      4.424 CV     1
 ASSI ! 1413!
   (  segid "    " and resid 62   and name HE# )
   (( segid "    " and resid 74   and name HB  ))
      2.100     0.500     0.500 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.97475E-02 ppm1      1.997 ppm2      1.845 CV     1
 ASSI ! 1417!
   (  segid "    " and resid 74   and name HG1#)
   (( segid "    " and resid 74   and name HB  ))
      2.100     0.600     0.600 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.91536E-02 ppm1      0.971 ppm2      1.837 CV     1
 ASSI ! 1418!
   (  segid "    " and resid 74   and name HG2#)
   (( segid "    " and resid 74   and name HB  ))
      2.200     0.600     0.600 peak  1418 spectrum    1 weight  0.10000E+01 volume  0.78416E-02 ppm1      0.759 ppm2      1.840 CV     1
 ASSI ! 1424!
   (  segid "    " and resid 64   and name HD1#)
   (  segid "    " and resid 74   and name HG2#)
      2.200     0.600     0.600 peak  1424 spectrum    1 weight  0.10000E+01 volume  0.86482E-02 ppm1      0.622 ppm2      0.745 CV     1
 ASSI ! 1428!
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      4.300     2.300     1.700 peak  1428 spectrum    1 weight  0.10000E+01 volume  0.48862E-03 ppm1      5.065 ppm2      9.233 CV     1
 ASSI ! 1429!
   (( segid "    " and resid 62   and name HG1 ))
   (( segid "    " and resid 74   and name HN  ))
      3.200     1.200     1.200 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.93264E-03 ppm1      2.424 ppm2      9.230 CV     1
 ASSI ! 1430!
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 74   and name HN  ))
      3.500     1.500     1.500 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.11831E-02 ppm1      2.100 ppm2      9.230 CV     1
 ASSI ! 1435!
   (( segid "    " and resid 74   and name HB  ))
   (( segid "    " and resid 74   and name HN  ))
      2.600     0.800     0.800 peak  1435 spectrum    1 weight  0.10000E+01 volume  0.30344E-02 ppm1      1.839 ppm2      9.239 CV     1
 ASSI ! 1437!
   (  segid "    " and resid 76   and name HD1#)
   (( segid "    " and resid 74   and name HN  ))
      2.800     2.800     3.200 peak  1437 spectrum    1 weight  0.10000E+01 volume  0.80792E-03 ppm1      0.925 ppm2      9.227 CV     1
 ASSI ! 1439!
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
      3.100     1.200     1.200 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.20388E-02 ppm1      1.258 ppm2      4.523 CV     1
 ASSI ! 1440!
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      2.400     0.700     0.700 peak  1440 spectrum    1 weight  0.10000E+01 volume  0.15006E-02 ppm1      1.093 ppm2      4.526 CV     1
 ASSI ! 1442!
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
      2.500     0.800     0.800 peak  1442 spectrum    1 weight  0.10000E+01 volume  0.24551E-02 ppm1      3.349 ppm2      4.520 CV     1
 ASSI ! 1443!
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      3.100     1.200     1.200 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.18122E-02 ppm1      3.055 ppm2      4.526 CV     1
 ASSI ! 1444!
   (  segid "    " and resid 76   and name HD1#)
   (( segid "    " and resid 75   and name HA  ))
      2.600     2.600     3.400 peak  1444 spectrum    1 weight  0.10000E+01 volume  0.14190E-02 ppm1      0.925 ppm2      4.526 CV     1
 ASSI ! 1445!
   (  segid "    " and resid 76   and name HD2#)
   (( segid "    " and resid 75   and name HA  ))
      1.900     1.900     4.100 peak  1445 spectrum    1 weight  0.10000E+01 volume  0.98401E-02 ppm1      0.920 ppm2      4.529 CV     1
 ASSI ! 1447!
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HB1 ))
      1.700     0.300     0.500 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.12339E-01 ppm1      3.058 ppm2      3.351 CV     1
 ASSI ! 1448!
   (  segid "    " and resid 78   and name HG2#)
   (( segid "    " and resid 75   and name HB1 ))
      3.900     1.900     1.900 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.74466E-03 ppm1      1.178 ppm2      3.348 CV     1
 ASSI ! 1451!
   (  segid "    " and resid 78   and name HG2#)
   (( segid "    " and resid 75   and name HB2 ))
      3.700     1.700     1.700 peak  1451 spectrum    1 weight  0.10000E+01 volume  0.17323E-02 ppm1      1.175 ppm2      3.054 CV     1
 ASSI ! 1452!
   (( segid "    " and resid 60   and name HG1 ))
   (  segid "    " and resid 75   and name HD# )
      4.000     2.000     2.000 peak  1452 spectrum    1 weight  0.10000E+01 volume  0.95631E-03 ppm1      2.463 ppm2      7.290 CV     1
 ASSI ! 1453!
   (( segid "    " and resid 60   and name HG2 ))
   (  segid "    " and resid 75   and name HD# )
      3.300     1.300     1.300 peak  1453 spectrum    1 weight  0.10000E+01 volume  0.12706E-02 ppm1      2.292 ppm2      7.290 CV     1
 ASSI ! 1454!
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 75   and name HD# )
      3.200     1.300     1.300 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.61708E-03 ppm1      1.267 ppm2      7.293 CV     1
 ASSI ! 1455!
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 75   and name HD# )
      4.300     2.300     1.700 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.23334E-03 ppm1      1.105 ppm2      7.290 CV     1
 ASSI ! 1456!
   (( segid "    " and resid 61   and name HE1 ))
   (  segid "    " and resid 75   and name HD# )
      5.200     3.300     0.800 peak  1456 spectrum    1 weight  0.10000E+01 volume  0.45124E-03 ppm1      2.256 ppm2      7.284 CV     1
 ASSI ! 1457!
   (( segid "    " and resid 61   and name HE2 ))
   (  segid "    " and resid 75   and name HD# )
      4.600     2.700     1.400 peak  1457 spectrum    1 weight  0.10000E+01 volume  0.36019E-03 ppm1      2.097 ppm2      7.284 CV     1
 ASSI ! 1458!
   (  segid "    " and resid 73   and name HG2#)
   (  segid "    " and resid 75   and name HD# )
      3.500     1.600     1.600 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.14697E-02 ppm1      0.926 ppm2      7.293 CV     1
 ASSI ! 1459!
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 75   and name HD# )
      3.300     1.300     1.300 peak  1459 spectrum    1 weight  0.10000E+01 volume  0.10081E-02 ppm1      4.522 ppm2      7.295 CV     1
 ASSI ! 1460!
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 75   and name HD# )
      2.800     1.000     1.000 peak  1460 spectrum    1 weight  0.10000E+01 volume  0.28993E-02 ppm1      3.349 ppm2      7.290 CV     1
 ASSI ! 1461!
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD# )
      2.700     0.900     0.900 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.24873E-02 ppm1      3.055 ppm2      7.293 CV     1
 ASSI ! 1462!
   (( segid "    " and resid 60   and name HG1 ))
   (  segid "    " and resid 75   and name HE# )
      5.000     3.100     1.000 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.41445E-03 ppm1      2.463 ppm2      6.789 CV     1
 ASSI ! 1463!
   (( segid "    " and resid 60   and name HG2 ))
   (  segid "    " and resid 75   and name HE# )
      4.000     2.000     2.000 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.70504E-03 ppm1      2.289 ppm2      6.783 CV     1
 ASSI ! 1464!
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 75   and name HE# )
      4.100     2.100     1.900 peak  1464 spectrum    1 weight  0.10000E+01 volume  0.59656E-03 ppm1      0.991 ppm2      6.786 CV     1
 ASSI ! 1465!
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 75   and name HE# )
      5.300     3.600     0.700 peak  1465 spectrum    1 weight  0.10000E+01 volume  0.38669E-03 ppm1      0.880 ppm2      6.786 CV     1
 ASSI ! 1466!
   (( segid "    " and resid 61   and name HE1 ))
   (  segid "    " and resid 75   and name HE# )
      4.600     2.600     1.400 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.44343E-03 ppm1      2.259 ppm2      6.798 CV     1
 ASSI ! 1467!
   (( segid "    " and resid 61   and name HE2 ))
   (  segid "    " and resid 75   and name HE# )
      4.000     2.000     2.000 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.36371E-03 ppm1      2.085 ppm2      6.786 CV     1
 ASSI ! 1468!
   (  segid "    " and resid 73   and name HG2#)
   (  segid "    " and resid 75   and name HE# )
      3.200     1.300     1.300 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.18743E-02 ppm1      0.932 ppm2      6.792 CV     1
 ASSI ! 1475!
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      2.200     0.600     0.600 peak  1475 spectrum    1 weight  0.10000E+01 volume  0.50154E-02 ppm1      3.067 ppm2      9.380 CV     1
 ASSI ! 1477!
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      2.600     0.800     0.800 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.27833E-02 ppm1      1.698 ppm2      4.526 CV     1
 ASSI ! 1478!
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HA  ))
      3.100     1.200     1.200 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.24465E-02 ppm1      1.557 ppm2      4.526 CV     1
 ASSI ! 1479!
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 76   and name HA  ))
      3.100     1.200     1.200 peak  1479 spectrum    1 weight  0.10000E+01 volume  0.15945E-02 ppm1      1.504 ppm2      4.523 CV     1
 ASSI ! 1480!
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
      4.300     2.300     1.700 peak  1480 spectrum    1 weight  0.10000E+01 volume  0.75953E-03 ppm1      4.481 ppm2      1.705 CV     1
 ASSI ! 1481!
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
      5.500     3.800     0.500 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.41249E-03 ppm1      5.074 ppm2      1.693 CV     1
 ASSI ! 1483!
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.200     1.300     1.300 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.94123E-03 ppm1      4.484 ppm2      1.552 CV     1
 ASSI ! 1484!
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 76   and name HB2 ))
      3.500     1.600     1.600 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.69964E-03 ppm1      5.077 ppm2      1.561 CV     1
 ASSI ! 1486!
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 76  and name HD2#) or ( segid "    " and resid 76  and name HD1#))
      3.900     1.900     1.900 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.61263E-03 ppm1      3.863 ppm2      0.919 CV     1
 ASSI ! 1487!
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 76  and name HD2#) or ( segid "    " and resid 76  and name HD1#))
      4.200     2.200     1.800 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.93168E-03 ppm1      1.929 ppm2      0.919 CV     1
 ASSI ! 1488!
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 76  and name HD2#) or ( segid "    " and resid 76  and name HD1#))
      3.400     1.400     1.400 peak  1488 spectrum    1 weight  0.10000E+01 volume  0.38929E-02 ppm1      1.755 ppm2      0.916 CV     1
 ASSI ! 1489!
   (( segid "    " and resid 46   and name HD1 ))
   (( segid "    " and resid 76  and name HD2#) or ( segid "    " and resid 76  and name HD1#))
      3.800     1.800     1.800 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.11168E-02 ppm1      3.299 ppm2      0.925 CV     1
 ASSI ! 1490!
   (( segid "    " and resid 46   and name HD2 ))
   (( segid "    " and resid 76  and name HD2#) or ( segid "    " and resid 76  and name HD1#))
      4.700     2.800     1.300 peak  1490 spectrum    1 weight  0.10000E+01 volume  0.64989E-03 ppm1      2.841 ppm2      0.928 CV     1
 ASSI ! 1491!
   (( segid "    " and resid 46  and name HG2 ) or ( segid "    " and resid 46  and name HG1 ))
   (( segid "    " and resid 76  and name HD2#) or ( segid "    " and resid 76  and name HD1#))
      3.000     1.100     1.100 peak  1491 spectrum    1 weight  0.10000E+01 volume  0.18499E-02 ppm1      1.414 ppm2      0.919 CV     1
 ASSI ! 1492!
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 76  and name HD1#) or ( segid "    " and resid 76  and name HD2#))
      2.700     0.900     0.900 peak  1492 spectrum    1 weight  0.10000E+01 volume  0.16360E-02 ppm1      2.998 ppm2      0.925 CV     1
 ASSI ! 1493!
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 76  and name HD1#) or ( segid "    " and resid 76  and name HD2#))
      3.200     1.300     1.300 peak  1493 spectrum    1 weight  0.10000E+01 volume  0.17845E-02 ppm1      2.812 ppm2      0.928 CV     1
 ASSI ! 1494!
   (( segid "    " and resid 60   and name HA  ))
   (( segid "    " and resid 76  and name HD1#) or ( segid "    " and resid 76  and name HD2#))
      4.300     2.300     1.700 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.87856E-03 ppm1      4.478 ppm2      0.928 CV     1
 ASSI ! 1495!
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 76  and name HD1#) or ( segid "    " and resid 76  and name HD2#))
      3.600     1.600     1.600 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.19255E-02 ppm1      5.074 ppm2      0.919 CV     1
 ASSI ! 1496!
   (( segid "    " and resid 62   and name HG1 ))
   (( segid "    " and resid 76  and name HD2#) or ( segid "    " and resid 76  and name HD1#))
      3.700     1.700     1.700 peak  1496 spectrum    1 weight  0.10000E+01 volume  0.32948E-02 ppm1      2.418 ppm2      0.922 CV     1
 ASSI ! 1497!
   (( segid "    " and resid 62   and name HG2 ))
   (( segid "    " and resid 76  and name HD2#) or ( segid "    " and resid 76  and name HD1#))
      2.800     1.000     1.000 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.22306E-02 ppm1      2.097 ppm2      0.925 CV     1
 ASSI ! 1498!
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76  and name HD2#) or ( segid "    " and resid 76  and name HD1#))
      2.300     0.700     0.700 peak  1498 spectrum    1 weight  0.10000E+01 volume  0.66438E-02 ppm1      4.535 ppm2      0.919 CV     1
 ASSI ! 1499!
   (( segid "    " and resid 76   and name HG  ))
   (( segid "    " and resid 76  and name HD1#) or ( segid "    " and resid 76  and name HD2#))
      2.100     0.600     0.600 peak  1499 spectrum    1 weight  0.10000E+01 volume  0.61874E-02 ppm1      1.498 ppm2      0.916 CV     1
 ASSI ! 1502!
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HG  ))
      4.200     2.200     1.800 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.78300E-03 ppm1      4.524 ppm2      1.507 CV     1
 ASSI ! 1505!
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      1.800     0.400     0.400 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.31042E-02 ppm1      5.068 ppm2      8.525 CV     1
 ASSI ! 1506!
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
      4.100     2.100     1.900 peak  1506 spectrum    1 weight  0.10000E+01 volume  0.79056E-03 ppm1      1.267 ppm2      8.522 CV     1
 ASSI ! 1508!
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.000     0.500     0.500 peak  1508 spectrum    1 weight  0.10000E+01 volume  0.58273E-02 ppm1      4.528 ppm2      8.525 CV     1
 ASSI ! 1509!
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
      3.300     1.400     1.400 peak  1509 spectrum    1 weight  0.10000E+01 volume  0.13668E-02 ppm1      3.349 ppm2      8.525 CV     1
 ASSI ! 1511!
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
      2.800     1.000     1.000 peak  1511 spectrum    1 weight  0.10000E+01 volume  0.15370E-02 ppm1      4.526 ppm2      8.525 CV     1
 ASSI ! 1512!
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
      3.500     1.500     1.500 peak  1512 spectrum    1 weight  0.10000E+01 volume  0.19171E-02 ppm1      1.701 ppm2      8.522 CV     1
 ASSI ! 1513!
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      2.300     0.700     0.700 peak  1513 spectrum    1 weight  0.10000E+01 volume  0.25903E-02 ppm1      1.557 ppm2      8.525 CV     1
 ASSI ! 1514!
   (  segid "    " and resid 76   and name HD1#)
   (( segid "    " and resid 76   and name HN  ))
      3.700     1.700     1.700 peak  1514 spectrum    1 weight  0.10000E+01 volume  0.16371E-02 ppm1      0.925 ppm2      8.525 CV     1
 ASSI ! 1515!
   (  segid "    " and resid 76   and name HD2#)
   (( segid "    " and resid 76   and name HN  ))
      3.700     1.700     1.700 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.16396E-02 ppm1      0.932 ppm2      8.528 CV     1
 ASSI ! 1517!
   (( segid "    " and resid 60  and name HB1 ) or ( segid "    " and resid 60  and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      4.400     2.500     1.600 peak  1517 spectrum    1 weight  0.10000E+01 volume  0.12282E-02 ppm1      2.037 ppm2      4.610 CV     1
 ASSI ! 1519!
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
      2.600     0.900     0.900 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.82727E-02 ppm1      3.185 ppm2      4.616 CV     1
 ASSI ! 1520!
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      2.300     0.700     0.700 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.80846E-02 ppm1      3.047 ppm2      4.616 CV     1
 ASSI ! 1523!
   (  segid "    " and resid 78   and name HG2#)
   (( segid "    " and resid 77   and name HB1 ))
      3.700     1.700     1.700 peak  1523 spectrum    1 weight  0.10000E+01 volume  0.64013E-03 ppm1      1.175 ppm2      3.180 CV     1
 ASSI ! 1526!
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HD21))
      4.200     2.200     1.800 peak  1526 spectrum    1 weight  0.10000E+01 volume  0.82225E-03 ppm1      4.612 ppm2      7.746 CV     1
 ASSI ! 1527!
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HD21))
      2.700     0.900     0.900 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.32422E-02 ppm1      3.179 ppm2      7.743 CV     1
 ASSI ! 1528!
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HD21))
      2.900     1.100     1.100 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.26477E-02 ppm1      3.044 ppm2      7.743 CV     1
 ASSI ! 1529!
   (  segid "    " and resid 78   and name HG2#)
   (( segid "    " and resid 77   and name HD21))
      3.600     1.600     1.600 peak  1529 spectrum    1 weight  0.10000E+01 volume  0.10908E-02 ppm1      1.178 ppm2      7.755 CV     1
 ASSI ! 1530!
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HD22))
      4.000     2.000     2.000 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.18200E-02 ppm1      3.182 ppm2      6.984 CV     1
 ASSI ! 1531!
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HD22))
      4.200     2.200     1.800 peak  1531 spectrum    1 weight  0.10000E+01 volume  0.13642E-02 ppm1      3.047 ppm2      6.984 CV     1
 ASSI ! 1532!
   (  segid "    " and resid 78   and name HG2#)
   (( segid "    " and resid 77   and name HD22))
      3.700     1.700     1.700 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.13308E-02 ppm1      1.172 ppm2      6.993 CV     1
 ASSI ! 1533!
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      3.400     1.500     1.500 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.12304E-02 ppm1      4.521 ppm2      8.594 CV     1
 ASSI ! 1534!
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
      2.800     0.900     0.900 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.17154E-02 ppm1      3.349 ppm2      8.600 CV     1
 ASSI ! 1540!
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.700     0.900     0.900 peak  1540 spectrum    1 weight  0.10000E+01 volume  0.42163E-02 ppm1      4.615 ppm2      8.600 CV     1
 ASSI ! 1541!
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HN  ))
      2.700     0.900     0.900 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.22034E-02 ppm1      3.182 ppm2      8.597 CV     1
 ASSI ! 1543!
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      5.200     3.400     0.800 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.31283E-03 ppm1      4.827 ppm2      8.598 CV     1
 ASSI ! 1545!
   (( segid "    " and resid 79   and name HD1 ))
   (( segid "    " and resid 78   and name HA  ))
      1.800     0.400     0.400 peak  1545 spectrum    1 weight  0.10000E+01 volume  0.11706E-01 ppm1      3.803 ppm2      4.835 CV     1
 ASSI ! 1547!
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      2.300     0.700     0.700 peak  1547 spectrum    1 weight  0.10000E+01 volume  0.69694E-02 ppm1      4.830 ppm2      4.251 CV     1
 ASSI ! 1549!
   (  segid "    " and resid 78   and name HG2#)
   (( segid "    " and resid 78   and name HB  ))
      2.100     0.500     0.500 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.19029E-01 ppm1      1.175 ppm2      4.250 CV     1
 ASSI ! 1550!
   (( segid "    " and resid 79   and name HD1 ))
   (( segid "    " and resid 78   and name HB  ))
      3.200     1.300     1.300 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.43870E-02 ppm1      3.797 ppm2      4.250 CV     1
 ASSI ! 1551!
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 78   and name HB  ))
      2.300     0.700     0.700 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.77706E-02 ppm1      3.680 ppm2      4.253 CV     1
 ASSI ! 1554!
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HG2#)
      2.600     0.900     0.900 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.46482E-02 ppm1      4.830 ppm2      1.177 CV     1
 ASSI ! 1557!
   (( segid "    " and resid 79   and name HD1 ))
   (  segid "    " and resid 78   and name HG2#)
      4.400     2.400     1.600 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.14444E-02 ppm1      3.800 ppm2      1.174 CV     1
 ASSI ! 1558!
   (( segid "    " and resid 79   and name HD2 ))
   (  segid "    " and resid 78   and name HG2#)
      4.000     2.000     2.000 peak  1558 spectrum    1 weight  0.10000E+01 volume  0.21853E-02 ppm1      3.677 ppm2      1.180 CV     1
 ASSI ! 1560!
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      3.700     1.700     1.700 peak  1560 spectrum    1 weight  0.10000E+01 volume  0.83051E-03 ppm1      3.058 ppm2      7.434 CV     1
 ASSI ! 1561!
   (( segid "    " and resid 76   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.400     1.400     1.400 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.11376E-02 ppm1      4.532 ppm2      7.425 CV     1
 ASSI ! 1562!
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.100     1.200     1.200 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.28203E-02 ppm1      4.621 ppm2      7.425 CV     1
 ASSI ! 1567!
   (  segid "    " and resid 78   and name HG2#)
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.800     0.800 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.74483E-02 ppm1      1.175 ppm2      7.428 CV     1
 ASSI ! 1568!
   (( segid "    " and resid 79   and name HD1 ))
   (( segid "    " and resid 78   and name HN  ))
      4.300     2.300     1.700 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.90946E-03 ppm1      3.800 ppm2      7.431 CV     1
 ASSI ! 1570!
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.000     1.100     1.100 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.21499E-02 ppm1      2.010 ppm2      4.463 CV     1
 ASSI ! 1572!
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      2.000     0.500     0.500 peak  1572 spectrum    1 weight  0.10000E+01 volume  0.10378E-01 ppm1      2.307 ppm2      4.457 CV     1
 ASSI ! 1573!
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      2.800     0.900     0.900 peak  1573 spectrum    1 weight  0.10000E+01 volume  0.58473E-02 ppm1      1.788 ppm2      4.463 CV     1
 ASSI ! 1574!
   (( segid "    " and resid 79   and name HD1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.600     1.600     1.600 peak  1574 spectrum    1 weight  0.10000E+01 volume  0.10630E-02 ppm1      3.809 ppm2      4.463 CV     1
 ASSI ! 1575!
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 79   and name HA  ))
      4.100     2.100     1.900 peak  1575 spectrum    1 weight  0.10000E+01 volume  0.70222E-03 ppm1      3.671 ppm2      4.460 CV     1
 ASSI ! 1576!
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.700     1.700     1.700 peak  1576 spectrum    1 weight  0.10000E+01 volume  0.27859E-02 ppm1      1.911 ppm2      4.463 CV     1
 ASSI ! 1577!
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      4.100     2.100     1.900 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.15017E-02 ppm1      1.548 ppm2      4.460 CV     1
 ASSI ! 1578!
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      5.300     3.500     0.700 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.92163E-03 ppm1      1.399 ppm2      4.457 CV     1
 ASSI ! 1580!
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HB1 ))
      1.600     0.300     0.600 peak  1580 spectrum    1 weight  0.10000E+01 volume  0.20696E-01 ppm1      1.782 ppm2      2.310 CV     1
 ASSI ! 1583!
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HB1 ))
      2.300     0.600     0.600 peak  1583 spectrum    1 weight  0.10000E+01 volume  0.63448E-02 ppm1      2.004 ppm2      2.316 CV     1
 ASSI ! 1584!
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HB1 ))
      2.600     0.900     0.900 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.60188E-02 ppm1      1.914 ppm2      2.313 CV     1
 ASSI ! 1588!
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 79   and name HB2 ))
      3.000     1.100     1.100 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.24483E-02 ppm1      3.677 ppm2      1.780 CV     1
 ASSI ! 1592!
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HD1 ))
      4.400     2.400     1.600 peak  1592 spectrum    1 weight  0.10000E+01 volume  0.11779E-02 ppm1      2.310 ppm2      3.800 CV     1
 ASSI ! 1593!
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HD1 ))
      3.900     1.900     1.900 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.19575E-02 ppm1      1.785 ppm2      3.797 CV     1
 ASSI ! 1595!
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HD1 ))
      2.700     0.900     0.900 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.46777E-02 ppm1      1.905 ppm2      3.803 CV     1
 ASSI ! 1596!
   (( segid "    " and resid 79   and name HG1 ))
   (( segid "    " and resid 79   and name HD2 ))
      2.900     1.100     1.100 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.57571E-02 ppm1      2.013 ppm2      3.677 CV     1
 ASSI ! 1597!
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HD2 ))
      2.800     1.000     1.000 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.66314E-02 ppm1      4.829 ppm2      3.680 CV     1
 ASSI ! 1600!
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HD2 ))
      4.000     2.000     2.000 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.18416E-02 ppm1      2.310 ppm2      3.674 CV     1
 ASSI ! 1603!
   (( segid "    " and resid 79   and name HG2 ))
   (( segid "    " and resid 79   and name HD2 ))
      2.400     0.700     0.700 peak  1603 spectrum    1 weight  0.10000E+01 volume  0.40399E-02 ppm1      1.908 ppm2      3.680 CV     1
 ASSI ! 1604!
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HG1 ))
      4.900     3.100     1.100 peak  1604 spectrum    1 weight  0.10000E+01 volume  0.81909E-03 ppm1      4.822 ppm2      2.011 CV     1
 ASSI ! 1605!
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 79   and name HG1 ))
      5.800     4.200     0.200 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.53335E-03 ppm1      4.241 ppm2      2.013 CV     1
 ASSI ! 1607!
   (( segid "    " and resid 79   and name HD1 ))
   (( segid "    " and resid 79   and name HG1 ))
      2.400     0.700     0.700 peak  1607 spectrum    1 weight  0.10000E+01 volume  0.37998E-02 ppm1      3.803 ppm2      2.013 CV     1
 ASSI ! 1609!
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 79   and name HG2 ))
      5.500     3.800     0.500 peak  1609 spectrum    1 weight  0.10000E+01 volume  0.76863E-03 ppm1      4.828 ppm2      1.913 CV     1
 ASSI ! 1613!
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HA  ))
      2.800     0.900     0.900 peak  1613 spectrum    1 weight  0.10000E+01 volume  0.23056E-02 ppm1      1.539 ppm2      4.085 CV     1
 ASSI ! 1614!
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HA  ))
      2.400     0.700     0.700 peak  1614 spectrum    1 weight  0.10000E+01 volume  0.38883E-02 ppm1      1.399 ppm2      4.076 CV     1
 ASSI ! 1615!
   (  segid "    " and resid 80   and name HD1#)
   (( segid "    " and resid 80   and name HA  ))
      4.600     2.700     1.400 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.13086E-02 ppm1      0.703 ppm2      4.070 CV     1
 ASSI ! 1616!
   (  segid "    " and resid 80   and name HD2#)
   (( segid "    " and resid 80   and name HA  ))
      3.100     1.200     1.200 peak  1616 spectrum    1 weight  0.10000E+01 volume  0.87491E-02 ppm1      0.914 ppm2      4.082 CV     1
 ASSI ! 1617!
   (( segid "    " and resid 80   and name HG  ))
   (( segid "    " and resid 80   and name HA  ))
      3.800     1.900     1.900 peak  1617 spectrum    1 weight  0.10000E+01 volume  0.11055E-02 ppm1      1.812 ppm2      4.082 CV     1
 ASSI ! 1618!
   (  segid "    " and resid 81   and name HB# )
   (( segid "    " and resid 80   and name HA  ))
      3.900     1.900     1.900 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.27491E-02 ppm1      1.494 ppm2      4.083 CV     1
 ASSI ! 1621!
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HB1 ))
      1.500     0.300     0.700 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.12232E-01 ppm1      1.396 ppm2      1.540 CV     1
 ASSI ! 1622!
   (  segid "    " and resid 80   and name HD1#)
   (( segid "    " and resid 80   and name HB1 ))
      2.500     0.800     0.800 peak  1622 spectrum    1 weight  0.10000E+01 volume  0.47550E-02 ppm1      0.691 ppm2      1.549 CV     1
 ASSI ! 1623!
   (  segid "    " and resid 80   and name HD2#)
   (( segid "    " and resid 80   and name HB1 ))
      2.600     0.800     0.800 peak  1623 spectrum    1 weight  0.10000E+01 volume  0.35339E-02 ppm1      0.917 ppm2      1.534 CV     1
 ASSI ! 1627!
   (  segid "    " and resid 80   and name HD1#)
   (( segid "    " and resid 80   and name HB2 ))
      2.200     0.600     0.600 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.66696E-02 ppm1      0.700 ppm2      1.408 CV     1
 ASSI ! 1628!
   (  segid "    " and resid 80   and name HD2#)
   (( segid "    " and resid 80   and name HB2 ))
      3.100     1.200     1.200 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.57185E-02 ppm1      0.917 ppm2      1.405 CV     1
 ASSI ! 1637!
   (( segid "    " and resid 84   and name HB1 ))
   (  segid "    " and resid 80   and name HD1#)
      3.600     1.600     1.600 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.11425E-02 ppm1      2.187 ppm2      0.709 CV     1
 ASSI ! 1638!
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 80   and name HD1#)
      2.800     1.000     1.000 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.10399E-02 ppm1      1.731 ppm2      0.703 CV     1
 ASSI ! 1639!
   (( segid "    " and resid 85   and name HA  ))
   (  segid "    " and resid 80   and name HD1#)
      3.000     1.100     1.100 peak  1639 spectrum    1 weight  0.10000E+01 volume  0.50112E-02 ppm1      3.552 ppm2      0.709 CV     1
 ASSI ! 1640!
   (( segid "    " and resid 85  and name HB2 ) or ( segid "    " and resid 85  and name HB1 ))
   (  segid "    " and resid 80   and name HD1#)
      4.400     2.400     1.600 peak  1640 spectrum    1 weight  0.10000E+01 volume  0.12445E-02 ppm1      1.839 ppm2      0.712 CV     1
 ASSI ! 1642!
   (( segid "    " and resid 85   and name HG2 ))
   (  segid "    " and resid 80   and name HD1#)
      2.700     0.900     0.900 peak  1642 spectrum    1 weight  0.10000E+01 volume  0.30589E-02 ppm1      1.318 ppm2      0.706 CV     1
 ASSI ! 1644!
   (  segid "    " and resid 80   and name HD1#)
   (  segid "    " and resid 80   and name HD2#)
      2.300     0.700     0.700 peak  1644 spectrum    1 weight  0.10000E+01 volume  0.93422E-02 ppm1      0.703 ppm2      0.913 CV     1
 ASSI ! 1647!
   (( segid "    " and resid 84   and name HB2 ))
   (  segid "    " and resid 80   and name HD2#)
      4.700     2.800     1.300 peak  1647 spectrum    1 weight  0.10000E+01 volume  0.10840E-02 ppm1      1.728 ppm2      0.910 CV     1
 ASSI ! 1650!
   (  segid "    " and resid 80   and name HD1#)
   (( segid "    " and resid 80   and name HG  ))
      2.300     0.700     0.700 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.61974E-02 ppm1      0.703 ppm2      1.813 CV     1
 ASSI ! 1651!
   (  segid "    " and resid 80   and name HD2#)
   (( segid "    " and resid 80   and name HG  ))
      2.200     0.600     0.600 peak  1651 spectrum    1 weight  0.10000E+01 volume  0.77328E-02 ppm1      0.914 ppm2      1.810 CV     1
 ASSI ! 1654!
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 80   and name HN  ))
      3.000     1.200     1.200 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.31711E-02 ppm1      2.307 ppm2      9.053 CV     1
 ASSI ! 1655!
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 80   and name HN  ))
      3.300     1.400     1.400 peak  1655 spectrum    1 weight  0.10000E+01 volume  0.24199E-02 ppm1      1.785 ppm2      9.047 CV     1
 ASSI ! 1657!
   (( segid "    " and resid 79   and name HD2 ))
   (( segid "    " and resid 80   and name HN  ))
      3.500     3.500     2.500 peak  1657 spectrum    1 weight  0.10000E+01 volume  0.22484E-03 ppm1      3.689 ppm2      9.047 CV     1
 ASSI ! 1661!
   (( segid "    " and resid 80   and name HB1 ))
   (( segid "    " and resid 80   and name HN  ))
      2.100     0.500     0.500 peak  1661 spectrum    1 weight  0.10000E+01 volume  0.59311E-02 ppm1      1.542 ppm2      9.050 CV     1
 ASSI ! 1662!
   (( segid "    " and resid 80   and name HB2 ))
   (( segid "    " and resid 80   and name HN  ))
      2.900     1.100     1.100 peak  1662 spectrum    1 weight  0.10000E+01 volume  0.61205E-02 ppm1      1.402 ppm2      9.047 CV     1
 ASSI ! 1664!
   (  segid "    " and resid 80   and name HD2#)
   (( segid "    " and resid 80   and name HN  ))
      2.500     0.800     0.800 peak  1664 spectrum    1 weight  0.10000E+01 volume  0.20746E-02 ppm1      0.914 ppm2      9.047 CV     1
 ASSI ! 1667!
   (  segid "    " and resid 81   and name HB# )
   (( segid "    " and resid 81   and name HA  ))
      2.100     0.600     0.600 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.17675E-01 ppm1      1.496 ppm2      4.184 CV     1
 ASSI ! 1668!
   (( segid "    " and resid 82  and name HG2 ) or ( segid "    " and resid 82  and name HG1 ))
   (( segid "    " and resid 81   and name HA  ))
      4.400     2.400     1.600 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.10402E-02 ppm1      2.385 ppm2      4.190 CV     1
 ASSI ! 1671!
   (( segid "    " and resid 82  and name HB1 ) or ( segid "    " and resid 82  and name HB2 ))
   (  segid "    " and resid 81   and name HB# )
      4.200     2.200     1.800 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.20680E-02 ppm1      2.085 ppm2      1.495 CV     1
 ASSI ! 1672!
   (( segid "    " and resid 84   and name HD1 ))
   (  segid "    " and resid 81   and name HB# )
      4.100     2.100     1.900 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.21628E-02 ppm1      3.428 ppm2      1.498 CV     1
 ASSI ! 1673!
   (( segid "    " and resid 84   and name HD2 ))
   (  segid "    " and resid 81   and name HB# )
      3.300     1.300     1.300 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.23499E-02 ppm1      3.173 ppm2      1.498 CV     1
 ASSI ! 1681!
   (  segid "    " and resid 81   and name HB# )
   (( segid "    " and resid 81   and name HN  ))
      2.100     0.500     0.500 peak  1681 spectrum    1 weight  0.10000E+01 volume  0.16936E-01 ppm1      1.496 ppm2      8.416 CV     1
 ASSI ! 1683!
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 81   and name HN  ))
      3.100     1.200     1.200 peak  1683 spectrum    1 weight  0.10000E+01 volume  0.91274E-03 ppm1      3.179 ppm2      8.414 CV     1
 ASSI ! 1684!
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HA  ))
      3.700     1.700     1.700 peak  1684 spectrum    1 weight  0.10000E+01 volume  0.13693E-02 ppm1      4.184 ppm2      3.815 CV     1
 ASSI ! 1685!
   (( segid "    " and resid 82  and name HB2 ) or ( segid "    " and resid 82  and name HB1 ))
   (( segid "    " and resid 82   and name HA  ))
      2.200     0.600     0.600 peak  1685 spectrum    1 weight  0.10000E+01 volume  0.11395E-01 ppm1      2.079 ppm2      3.815 CV     1
 ASSI ! 1686!
   (( segid "    " and resid 82  and name HG1 ) or ( segid "    " and resid 82  and name HG2 ))
   (( segid "    " and resid 82   and name HA  ))
      2.800     1.000     1.000 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.50565E-02 ppm1      2.385 ppm2      3.815 CV     1
 ASSI ! 1687!
   (( segid "    " and resid 85  and name HD2 ) or ( segid "    " and resid 85  and name HD1 ))
   (( segid "    " and resid 82   and name HA  ))
      2.200     0.600     0.600 peak  1687 spectrum    1 weight  0.10000E+01 volume  0.67103E-02 ppm1      1.683 ppm2      3.809 CV     1
 ASSI ! 1688!
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 82   and name HA  ))
      2.500     0.800     0.800 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.27472E-02 ppm1      1.650 ppm2      3.812 CV     1
 ASSI ! 1689!
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 82   and name HA  ))
      4.100     2.100     1.900 peak  1689 spectrum    1 weight  0.10000E+01 volume  0.16026E-02 ppm1      1.322 ppm2      3.802 CV     1
 ASSI ! 1690!
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82  and name HB1 ) or ( segid "    " and resid 82  and name HB2 ))
      4.600     2.600     1.400 peak  1690 spectrum    1 weight  0.10000E+01 volume  0.12140E-02 ppm1      4.184 ppm2      2.076 CV     1
 ASSI ! 1694!
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      2.000     0.500     0.500 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.17325E-01 ppm1      4.187 ppm2      8.741 CV     1
 ASSI ! 1695!
   (  segid "    " and resid 81   and name HB# )
   (( segid "    " and resid 82   and name HN  ))
      2.300     0.700     0.700 peak  1695 spectrum    1 weight  0.10000E+01 volume  0.97006E-02 ppm1      1.495 ppm2      8.737 CV     1
 ASSI ! 1696!
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      2.400     0.700     0.700 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.52741E-02 ppm1      3.814 ppm2      8.738 CV     1
 ASSI ! 1697!
   (( segid "    " and resid 82  and name HB1 ) or ( segid "    " and resid 82  and name HB2 ))
   (( segid "    " and resid 82   and name HN  ))
      2.200     0.600     0.600 peak  1697 spectrum    1 weight  0.10000E+01 volume  0.15142E-01 ppm1      2.082 ppm2      8.732 CV     1
 ASSI ! 1698!
   (( segid "    " and resid 82  and name HG2 ) or ( segid "    " and resid 82  and name HG1 ))
   (( segid "    " and resid 82   and name HN  ))
      2.400     0.700     0.700 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.71526E-02 ppm1      2.388 ppm2      8.741 CV     1
 ASSI ! 1700!
   (( segid "    " and resid 83   and name HB1 ))
   (( segid "    " and resid 83   and name HA  ))
      2.500     0.800     0.800 peak  1700 spectrum    1 weight  0.10000E+01 volume  0.93629E-02 ppm1      2.835 ppm2      4.427 CV     1
 ASSI ! 1701!
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HA  ))
      2.400     0.700     0.700 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.99269E-02 ppm1      2.682 ppm2      4.424 CV     1
 ASSI ! 1703!
   (( segid "    " and resid 83   and name HB2 ))
   (( segid "    " and resid 83   and name HB1 ))
      1.600     0.300     0.600 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.26952E-01 ppm1      2.682 ppm2      2.829 CV     1
 ASSI ! 1714!
   (  segid "    " and resid 38   and name HD1#)
   (( segid "    " and resid 84   and name HA  ))
      3.800     1.800     1.800 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.13364E-02 ppm1      0.842 ppm2      4.517 CV     1
 ASSI ! 1715!
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HA  ))
      2.300     0.600     0.600 peak  1715 spectrum    1 weight  0.10000E+01 volume  0.32117E-02 ppm1      2.190 ppm2      4.529 CV     1
 ASSI ! 1716!
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
      3.000     1.100     1.100 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.16437E-02 ppm1      1.737 ppm2      4.526 CV     1
 ASSI ! 1717!
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 84   and name HA  ))
      4.100     2.100     1.900 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.10746E-02 ppm1      3.431 ppm2      4.529 CV     1
 ASSI ! 1718!
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 84   and name HA  ))
      4.900     3.000     1.100 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.45440E-03 ppm1      3.185 ppm2      4.526 CV     1
 ASSI ! 1720!
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 84   and name HA  ))
      2.400     0.700     0.700 peak  1720 spectrum    1 weight  0.10000E+01 volume  0.26950E-02 ppm1      1.629 ppm2      4.526 CV     1
 ASSI ! 1721!
   (( segid "    " and resid 87   and name HB  ))
   (( segid "    " and resid 84   and name HA  ))
      2.600     0.800     0.800 peak  1721 spectrum    1 weight  0.10000E+01 volume  0.94028E-03 ppm1      2.067 ppm2      4.526 CV     1
 ASSI ! 1722!
   (  segid "    " and resid 87   and name HG1#)
   (( segid "    " and resid 84   and name HA  ))
      2.100     0.500     0.500 peak  1722 spectrum    1 weight  0.10000E+01 volume  0.12063E-01 ppm1      1.148 ppm2      4.529 CV     1
 ASSI ! 1724!
   (  segid "    " and resid 80   and name HD2#)
   (( segid "    " and resid 84   and name HB1 ))
      4.600     2.700     1.400 peak  1724 spectrum    1 weight  0.10000E+01 volume  0.24354E-02 ppm1      0.914 ppm2      2.190 CV     1
 ASSI ! 1725!
   (( segid "    " and resid 80   and name HG  ))
   (( segid "    " and resid 84   and name HB1 ))
      5.000     3.100     1.000 peak  1725 spectrum    1 weight  0.10000E+01 volume  0.65500E-03 ppm1      1.815 ppm2      2.181 CV     1
 ASSI ! 1727!
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 84   and name HB1 ))
      2.800     1.000     1.000 peak  1727 spectrum    1 weight  0.10000E+01 volume  0.10578E-02 ppm1      3.437 ppm2      2.184 CV     1
 ASSI ! 1728!
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 84   and name HB1 ))
      3.300     1.300     1.300 peak  1728 spectrum    1 weight  0.10000E+01 volume  0.12867E-02 ppm1      3.179 ppm2      2.184 CV     1
 ASSI ! 1729!
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 84   and name HB1 ))
      2.400     0.700     0.700 peak  1729 spectrum    1 weight  0.10000E+01 volume  0.30474E-02 ppm1      1.626 ppm2      2.190 CV     1
 ASSI ! 1730!
   (  segid "    " and resid 87   and name HG1#)
   (( segid "    " and resid 84   and name HB1 ))
      2.800     1.000     1.000 peak  1730 spectrum    1 weight  0.10000E+01 volume  0.27307E-02 ppm1      1.142 ppm2      2.181 CV     1
 ASSI ! 1732!
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 84   and name HB2 ))
      3.100     1.200     1.200 peak  1732 spectrum    1 weight  0.10000E+01 volume  0.14676E-02 ppm1      3.434 ppm2      1.726 CV     1
 ASSI ! 1733!
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 84   and name HB2 ))
      2.600     0.800     0.800 peak  1733 spectrum    1 weight  0.10000E+01 volume  0.18356E-02 ppm1      3.182 ppm2      1.726 CV     1
 ASSI ! 1734!
   (  segid "    " and resid 80   and name HD2#)
   (( segid "    " and resid 84   and name HD1 ))
      5.500     3.800     0.500 peak  1734 spectrum    1 weight  0.10000E+01 volume  0.86008E-03 ppm1      0.917 ppm2      3.429 CV     1
 ASSI ! 1742!
   (  segid "    " and resid 80   and name HD2#)
   (( segid "    " and resid 84   and name HD2 ))
      4.300     2.400     1.700 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.25098E-02 ppm1      0.911 ppm2      3.183 CV     1
 ASSI ! 1748!
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HD2 ))
      2.400     0.700     0.700 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.24841E-02 ppm1      1.935 ppm2      3.180 CV     1
 ASSI ! 1750!
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 84   and name HE  ))
      3.600     1.600     1.600 peak  1750 spectrum    1 weight  0.10000E+01 volume  0.46557E-03 ppm1      3.440 ppm2      7.167 CV     1
 ASSI ! 1751!
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 84   and name HE  ))
      3.500     1.600     1.600 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.56977E-03 ppm1      3.179 ppm2      7.158 CV     1
 ASSI ! 1752!
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG1 ))
      2.900     1.100     1.100 peak  1752 spectrum    1 weight  0.10000E+01 volume  0.25020E-02 ppm1      4.520 ppm2      1.933 CV     1
 ASSI ! 1753!
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 84   and name HG1 ))
      2.800     0.900     0.900 peak  1753 spectrum    1 weight  0.10000E+01 volume  0.39932E-02 ppm1      3.437 ppm2      1.936 CV     1
 ASSI ! 1756!
   (( segid "    " and resid 84   and name HD1 ))
   (( segid "    " and resid 84   and name HG2 ))
      2.400     0.700     0.700 peak  1756 spectrum    1 weight  0.10000E+01 volume  0.29956E-02 ppm1      3.431 ppm2      1.627 CV     1
 ASSI ! 1757!
   (( segid "    " and resid 84   and name HD2 ))
   (( segid "    " and resid 84   and name HG2 ))
      3.100     1.200     1.200 peak  1757 spectrum    1 weight  0.10000E+01 volume  0.19768E-02 ppm1      3.179 ppm2      1.633 CV     1
 ASSI ! 1758!
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HG2 ))
      1.600     0.300     0.600 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.96395E-02 ppm1      1.932 ppm2      1.624 CV     1
 ASSI ! 1763!
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.300     1.300     1.300 peak  1763 spectrum    1 weight  0.10000E+01 volume  0.19322E-02 ppm1      4.424 ppm2      7.800 CV     1
 ASSI ! 1771!
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HN  ))
      2.200     0.600     0.600 peak  1771 spectrum    1 weight  0.10000E+01 volume  0.33319E-02 ppm1      1.935 ppm2      7.800 CV     1
 ASSI ! 1774!
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 84   and name HN  ))
      3.600     1.600     1.600 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.84056E-03 ppm1      1.641 ppm2      7.806 CV     1
 ASSI ! 1777!
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 85   and name HA  ))
      3.100     1.200     1.200 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.25108E-02 ppm1      3.761 ppm2      3.551 CV     1
 ASSI ! 1779!
   (  segid "    " and resid 80   and name HD2#)
   (( segid "    " and resid 85   and name HA  ))
      4.900     3.000     1.100 peak  1779 spectrum    1 weight  0.10000E+01 volume  0.58522E-03 ppm1      0.923 ppm2      3.557 CV     1
 ASSI ! 1781!
   (( segid "    " and resid 85  and name HB1 ) or ( segid "    " and resid 85  and name HB2 ))
   (( segid "    " and resid 85   and name HA  ))
      2.500     0.800     0.800 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.38591E-02 ppm1      1.842 ppm2      3.554 CV     1
 ASSI ! 1782!
   (( segid "    " and resid 85  and name HD1 ) or ( segid "    " and resid 85  and name HD2 ))
   (( segid "    " and resid 85   and name HA  ))
      4.000     2.000     2.000 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.17684E-02 ppm1      1.677 ppm2      3.548 CV     1
 ASSI ! 1783!
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HA  ))
      3.000     1.200     1.200 peak  1783 spectrum    1 weight  0.10000E+01 volume  0.18710E-02 ppm1      1.644 ppm2      3.548 CV     1
 ASSI ! 1784!
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HA  ))
      2.300     0.700     0.700 peak  1784 spectrum    1 weight  0.10000E+01 volume  0.32383E-02 ppm1      1.318 ppm2      3.551 CV     1
 ASSI ! 1786!
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 85  and name HB1 ) or ( segid "    " and resid 85  and name HB2 ))
      5.100     3.200     0.900 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.85859E-03 ppm1      3.773 ppm2      1.840 CV     1
 ASSI ! 1788!
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 85  and name HD1 ) or ( segid "    " and resid 85  and name HD2 ))
      5.300     3.500     0.700 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.58510E-03 ppm1      3.962 ppm2      1.657 CV     1
 ASSI ! 1789!
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 85  and name HD1 ) or ( segid "    " and resid 85  and name HD2 ))
      5.700     4.100     0.300 peak  1789 spectrum    1 weight  0.10000E+01 volume  0.39564E-03 ppm1      3.782 ppm2      1.657 CV     1
 ASSI ! 1792!
   (( segid "    " and resid 85  and name HB1 ) or ( segid "    " and resid 85  and name HB2 ))
   (( segid "    " and resid 85   and name HE1 ))
      4.300     2.400     1.700 peak  1792 spectrum    1 weight  0.10000E+01 volume  0.74699E-03 ppm1      1.842 ppm2      2.991 CV     1
 ASSI ! 1793!
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HE1 ))
      3.500     1.500     1.500 peak  1793 spectrum    1 weight  0.10000E+01 volume  0.12973E-02 ppm1      1.647 ppm2      2.973 CV     1
 ASSI ! 1794!
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HE1 ))
      3.000     1.100     1.100 peak  1794 spectrum    1 weight  0.10000E+01 volume  0.20135E-02 ppm1      1.315 ppm2      2.979 CV     1
 ASSI ! 1795!
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 85   and name HE2 ))
      3.800     1.800     1.800 peak  1795 spectrum    1 weight  0.10000E+01 volume  0.14077E-02 ppm1      3.820 ppm2      2.881 CV     1
 ASSI ! 1796!
   (( segid "    " and resid 85  and name HD2 ) or ( segid "    " and resid 85  and name HD1 ))
   (( segid "    " and resid 85   and name HE2 ))
      2.700     0.900     0.900 peak  1796 spectrum    1 weight  0.10000E+01 volume  0.34742E-02 ppm1      1.677 ppm2      2.889 CV     1
 ASSI ! 1797!
   (( segid "    " and resid 85   and name HG1 ))
   (( segid "    " and resid 85   and name HE2 ))
      3.600     1.600     1.600 peak  1797 spectrum    1 weight  0.10000E+01 volume  0.10615E-02 ppm1      1.641 ppm2      2.886 CV     1
 ASSI ! 1798!
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HE2 ))
      3.600     1.600     1.600 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.79039E-03 ppm1      1.315 ppm2      2.889 CV     1
 ASSI ! 1799!
   (  segid "    " and resid 80   and name HD1#)
   (( segid "    " and resid 85   and name HG1 ))
      3.000     1.100     1.100 peak  1799 spectrum    1 weight  0.10000E+01 volume  0.22021E-02 ppm1      0.700 ppm2      1.648 CV     1
 ASSI ! 1801!
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 85   and name HG2 ))
      4.000     2.000     2.000 peak  1801 spectrum    1 weight  0.10000E+01 volume  0.43068E-03 ppm1      3.770 ppm2      1.318 CV     1
 ASSI ! 1804!
   (( segid "    " and resid 85  and name HB1 ) or ( segid "    " and resid 85  and name HB2 ))
   (( segid "    " and resid 85   and name HG2 ))
      2.600     0.800     0.800 peak  1804 spectrum    1 weight  0.10000E+01 volume  0.38544E-02 ppm1      1.839 ppm2      1.318 CV     1
 ASSI ! 1806!
   (  segid "    " and resid 81   and name HB# )
   (( segid "    " and resid 85   and name HN  ))
      4.500     2.500     1.500 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.84002E-03 ppm1      1.495 ppm2      7.328 CV     1
 ASSI ! 1808!
   (( segid "    " and resid 82  and name HB2 ) or ( segid "    " and resid 82  and name HB1 ))
   (( segid "    " and resid 85   and name HN  ))
      4.500     2.500     1.500 peak  1808 spectrum    1 weight  0.10000E+01 volume  0.74151E-03 ppm1      2.085 ppm2      7.329 CV     1
 ASSI ! 1810!
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      2.700     0.900     0.900 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.27937E-02 ppm1      4.524 ppm2      7.329 CV     1
 ASSI ! 1814!
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 85   and name HN  ))
      5.000     3.200     1.000 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.59303E-03 ppm1      1.635 ppm2      7.338 CV     1
 ASSI ! 1816!
   (( segid "    " and resid 85  and name HB2 ) or ( segid "    " and resid 85  and name HB1 ))
   (( segid "    " and resid 85   and name HN  ))
      2.200     0.600     0.600 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.74142E-02 ppm1      1.857 ppm2      7.332 CV     1
 ASSI ! 1819!
   (( segid "    " and resid 85   and name HG2 ))
   (( segid "    " and resid 85   and name HN  ))
      3.600     1.600     1.600 peak  1819 spectrum    1 weight  0.10000E+01 volume  0.21677E-02 ppm1      1.324 ppm2      7.338 CV     1
 ASSI ! 1821!
   (( segid "    " and resid 37   and name HB  ))
   (( segid "    " and resid 86   and name HA  ))
      3.000     1.200     1.200 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.18022E-02 ppm1      4.508 ppm2      4.880 CV     1
 ASSI ! 1822!
   (  segid "    " and resid 37   and name HG2#)
   (( segid "    " and resid 86   and name HA  ))
      2.600     0.900     0.900 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.56807E-02 ppm1      1.148 ppm2      4.886 CV     1
 ASSI ! 1823!
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HA  ))
      2.500     0.800     0.800 peak  1823 spectrum    1 weight  0.10000E+01 volume  0.68390E-02 ppm1      3.015 ppm2      4.886 CV     1
 ASSI ! 1824!
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HA  ))
      2.900     1.000     1.000 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.35095E-02 ppm1      2.703 ppm2      4.889 CV     1
 ASSI ! 1825!
   (  segid "    " and resid 37   and name HG2#)
   (( segid "    " and resid 86   and name HB1 ))
      4.300     2.300     1.700 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.13622E-02 ppm1      1.147 ppm2      3.003 CV     1
 ASSI ! 1828!
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HD21))
      3.100     1.200     1.200 peak  1828 spectrum    1 weight  0.10000E+01 volume  0.27425E-02 ppm1      3.009 ppm2      7.587 CV     1
 ASSI ! 1829!
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HD21))
      2.600     0.900     0.900 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.43949E-02 ppm1      2.703 ppm2      7.587 CV     1
 ASSI ! 1831!
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HD22))
      3.700     1.700     1.700 peak  1831 spectrum    1 weight  0.10000E+01 volume  0.25162E-02 ppm1      2.703 ppm2      6.909 CV     1
 ASSI ! 1833!
   (( segid "    " and resid 85  and name HB2 ) or ( segid "    " and resid 85  and name HB1 ))
   (( segid "    " and resid 86   and name HN  ))
      2.900     1.100     1.100 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.25743E-02 ppm1      1.857 ppm2      8.345 CV     1
 ASSI ! 1834!
   (( segid "    " and resid 85  and name HD1 ) or ( segid "    " and resid 85  and name HD2 ))
   (( segid "    " and resid 86   and name HN  ))
      2.900     2.900     3.100 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.70695E-03 ppm1      1.677 ppm2      8.342 CV     1
 ASSI ! 1836!
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      2.800     1.000     1.000 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.32681E-02 ppm1      4.894 ppm2      8.351 CV     1
 ASSI ! 1837!
   (( segid "    " and resid 86   and name HB1 ))
   (( segid "    " and resid 86   and name HN  ))
      3.000     1.100     1.100 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.26857E-02 ppm1      3.015 ppm2      8.348 CV     1
 ASSI ! 1838!
   (( segid "    " and resid 86   and name HB2 ))
   (( segid "    " and resid 86   and name HN  ))
      2.800     1.000     1.000 peak  1838 spectrum    1 weight  0.10000E+01 volume  0.43139E-02 ppm1      2.706 ppm2      8.348 CV     1
 ASSI ! 1841!
   (  segid "    " and resid 37   and name HG2#)
   (( segid "    " and resid 87   and name HA  ))
      3.800     1.800     1.800 peak  1841 spectrum    1 weight  0.10000E+01 volume  0.10816E-02 ppm1      1.151 ppm2      3.746 CV     1
 ASSI ! 1843!
   (( segid "    " and resid 87   and name HB  ))
   (( segid "    " and resid 87   and name HA  ))
      2.700     0.900     0.900 peak  1843 spectrum    1 weight  0.10000E+01 volume  0.22302E-02 ppm1      2.064 ppm2      3.740 CV     1
 ASSI ! 1844!
   (  segid "    " and resid 87   and name HG1#)
   (( segid "    " and resid 87   and name HA  ))
      2.500     0.800     0.800 peak  1844 spectrum    1 weight  0.10000E+01 volume  0.11993E-01 ppm1      1.151 ppm2      3.746 CV     1
 ASSI ! 1845!
   (  segid "    " and resid 87   and name HG2#)
   (( segid "    " and resid 87   and name HA  ))
      2.500     0.800     0.800 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.75609E-02 ppm1      0.986 ppm2      3.746 CV     1
 ASSI ! 1846!
   (( segid "    " and resid 88  and name HB1 ) or ( segid "    " and resid 88  and name HB2 ))
   (( segid "    " and resid 87   and name HA  ))
      4.300     2.300     1.700 peak  1846 spectrum    1 weight  0.10000E+01 volume  0.19565E-02 ppm1      1.968 ppm2      3.746 CV     1
 ASSI ! 1847!
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 87   and name HB  ))
      3.500     1.500     1.500 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.23911E-02 ppm1      1.009 ppm2      2.076 CV     1
 ASSI ! 1848!
   (  segid "    " and resid 38   and name HD1#)
   (( segid "    " and resid 87   and name HB  ))
      3.700     1.700     1.700 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.25437E-02 ppm1      0.844 ppm2      2.073 CV     1
 ASSI ! 1851!
   (  segid "    " and resid 87   and name HG1#)
   (( segid "    " and resid 87   and name HB  ))
      1.900     0.400     0.400 peak  1851 spectrum    1 weight  0.10000E+01 volume  0.14571E-01 ppm1      1.148 ppm2      2.061 CV     1
 ASSI ! 1852!
   (  segid "    " and resid 87   and name HG2#)
   (( segid "    " and resid 87   and name HB  ))
      2.000     0.500     0.500 peak  1852 spectrum    1 weight  0.10000E+01 volume  0.12526E-01 ppm1      0.989 ppm2      2.064 CV     1
 ASSI ! 1860!
   (( segid "    " and resid 88  and name HB1 ) or ( segid "    " and resid 88  and name HB2 ))
   (  segid "    " and resid 87   and name HG2#)
      4.400     2.400     1.600 peak  1860 spectrum    1 weight  0.10000E+01 volume  0.14068E-02 ppm1      1.971 ppm2      0.985 CV     1
 ASSI ! 1861!
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 87   and name HG2#)
      2.900     2.900     3.100 peak  1861 spectrum    1 weight  0.10000E+01 volume  0.67323E-03 ppm1      4.301 ppm2      0.985 CV     1
 ASSI ! 1862!
   (  segid "    " and resid 37   and name HG2#)
   (( segid "    " and resid 87   and name HN  ))
      3.600     1.600     1.600 peak  1862 spectrum    1 weight  0.10000E+01 volume  0.17378E-02 ppm1      1.148 ppm2      6.981 CV     1
 ASSI ! 1864!
   (( segid "    " and resid 38   and name HB2 ))
   (( segid "    " and resid 87   and name HN  ))
      4.300     2.300     1.700 peak  1864 spectrum    1 weight  0.10000E+01 volume  0.75629E-03 ppm1      1.018 ppm2      6.981 CV     1
 ASSI ! 1865!
   (( segid "    " and resid 38   and name HG  ))
   (( segid "    " and resid 87   and name HN  ))
      5.400     3.700     0.600 peak  1865 spectrum    1 weight  0.10000E+01 volume  0.51873E-03 ppm1      1.423 ppm2      6.993 CV     1
 ASSI ! 1870!
   (  segid "    " and resid 87   and name HG1#)
   (( segid "    " and resid 87   and name HN  ))
      1.800     0.400     0.400 peak  1870 spectrum    1 weight  0.10000E+01 volume  0.16948E-01 ppm1      1.148 ppm2      6.987 CV     1
 ASSI ! 1872!
   (  segid "    " and resid 37   and name HG2#)
   (( segid "    " and resid 88   and name HA  ))
      2.700     0.900     0.900 peak  1872 spectrum    1 weight  0.10000E+01 volume  0.42857E-02 ppm1      1.148 ppm2      4.340 CV     1
 ASSI ! 1873!
   (( segid "    " and resid 88  and name HB2 ) or ( segid "    " and resid 88  and name HB1 ))
   (( segid "    " and resid 88   and name HA  ))
      2.400     0.700     0.700 peak  1873 spectrum    1 weight  0.10000E+01 volume  0.80057E-02 ppm1      1.971 ppm2      4.337 CV     1
 ASSI ! 1874!
   (( segid "    " and resid 88   and name HG1 ))
   (( segid "    " and resid 88   and name HA  ))
      3.400     1.400     1.400 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.22322E-02 ppm1      2.364 ppm2      4.331 CV     1
 ASSI ! 1875!
   (( segid "    " and resid 88   and name HG2 ))
   (( segid "    " and resid 88   and name HA  ))
      2.900     1.100     1.100 peak  1875 spectrum    1 weight  0.10000E+01 volume  0.23203E-02 ppm1      2.235 ppm2      4.331 CV     1
 ASSI ! 1879!
   (( segid "    " and resid 88   and name HG1 ))
   (( segid "    " and resid 88  and name HB1 ) or ( segid "    " and resid 88  and name HB2 ))
      2.400     0.700     0.700 peak  1879 spectrum    1 weight  0.10000E+01 volume  0.88949E-02 ppm1      2.358 ppm2      1.975 CV     1
 ASSI ! 1880!
   (( segid "    " and resid 88   and name HG2 ))
   (( segid "    " and resid 88  and name HB2 ) or ( segid "    " and resid 88  and name HB1 ))
      2.300     0.600     0.600 peak  1880 spectrum    1 weight  0.10000E+01 volume  0.15439E-01 ppm1      2.232 ppm2      1.975 CV     1
 ASSI ! 1885!
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 88   and name HN  ))
      4.000     2.000     2.000 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.77673E-03 ppm1      5.233 ppm2      8.765 CV     1
 ASSI ! 1887!
   (( segid "    " and resid 87   and name HB  ))
   (( segid "    " and resid 88   and name HN  ))
      4.300     2.300     1.700 peak  1887 spectrum    1 weight  0.10000E+01 volume  0.10486E-02 ppm1      2.070 ppm2      8.774 CV     1
 ASSI ! 1892!
   (( segid "    " and resid 88   and name HG1 ))
   (( segid "    " and resid 88   and name HN  ))
      2.900     1.000     1.000 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.29989E-02 ppm1      2.361 ppm2      8.780 CV     1
 ASSI ! 1893!
   (( segid "    " and resid 88   and name HG2 ))
   (( segid "    " and resid 88   and name HN  ))
      3.400     1.500     1.500 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.20265E-02 ppm1      2.229 ppm2      8.783 CV     1
 ASSI ! 1895!
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HA  ))
      2.600     0.800     0.800 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.23139E-02 ppm1      1.758 ppm2      4.307 CV     1
 ASSI ! 1896!
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HA  ))
      2.900     1.000     1.000 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.31827E-02 ppm1      1.545 ppm2      4.304 CV     1
 ASSI ! 1897!
   (  segid "    " and resid 89   and name HD1#)
   (( segid "    " and resid 89   and name HA  ))
      4.300     2.300     1.700 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.13583E-02 ppm1      0.631 ppm2      4.304 CV     1
 ASSI ! 1898!
   (  segid "    " and resid 89   and name HD2#)
   (( segid "    " and resid 89   and name HA  ))
      2.000     0.500     0.500 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.95328E-02 ppm1      0.228 ppm2      4.304 CV     1
 ASSI ! 1899!
   (( segid "    " and resid 89   and name HG  ))
   (( segid "    " and resid 89   and name HA  ))
      3.100     1.200     1.200 peak  1899 spectrum    1 weight  0.10000E+01 volume  0.13969E-02 ppm1      1.309 ppm2      4.310 CV     1
 ASSI ! 1901!
   (( segid "    " and resid 90   and name HG  ))
   (( segid "    " and resid 89   and name HA  ))
      4.100     2.100     1.900 peak  1901 spectrum    1 weight  0.10000E+01 volume  0.10728E-02 ppm1      1.857 ppm2      4.298 CV     1
 ASSI ! 1904!
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HB1 ))
      1.700     0.400     0.500 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.87852E-02 ppm1      1.548 ppm2      1.747 CV     1
 ASSI ! 1905!
   (  segid "    " and resid 89   and name HD1#)
   (( segid "    " and resid 89   and name HB1 ))
      2.400     0.700     0.700 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.66920E-02 ppm1      0.643 ppm2      1.756 CV     1
 ASSI ! 1908!
   (  segid "    " and resid 89   and name HD1#)
   (( segid "    " and resid 89   and name HB2 ))
      2.500     0.800     0.800 peak  1908 spectrum    1 weight  0.10000E+01 volume  0.42765E-02 ppm1      0.643 ppm2      1.543 CV     1
 ASSI ! 1909!
   (  segid "    " and resid 89   and name HD2#)
   (( segid "    " and resid 89   and name HB2 ))
      3.200     1.300     1.300 peak  1909 spectrum    1 weight  0.10000E+01 volume  0.48310E-02 ppm1      0.231 ppm2      1.546 CV     1
 ASSI ! 1911!
   (( segid "    " and resid 36   and name HA  ))
   (  segid "    " and resid 89   and name HD1#)
      3.000     1.100     1.100 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.16009E-02 ppm1      4.446 ppm2      0.640 CV     1
 ASSI ! 1914!
   (( segid "    " and resid 41   and name HB1 ))
   (  segid "    " and resid 89   and name HD1#)
      3.200     1.300     1.300 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.16418E-02 ppm1      1.746 ppm2      0.643 CV     1
 ASSI ! 1918!
   (  segid "    " and resid 89   and name HD2#)
   (  segid "    " and resid 89   and name HD1#)
      2.100     0.500     0.500 peak  1918 spectrum    1 weight  0.10000E+01 volume  0.13984E-01 ppm1      0.228 ppm2      0.643 CV     1
 ASSI ! 1923!
   (( segid "    " and resid 38   and name HB1 ))
   (  segid "    " and resid 89   and name HD2#)
      5.100     3.300     0.900 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.58934E-03 ppm1      2.145 ppm2      0.224 CV     1
 ASSI ! 1926!
   (  segid "    " and resid 41   and name HD1#)
   (  segid "    " and resid 89   and name HD2#)
      3.200     1.200     1.200 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.18481E-02 ppm1      0.814 ppm2      0.230 CV     1
 ASSI ! 1928!
   (( segid "    " and resid 89   and name HB1 ))
   (  segid "    " and resid 89   and name HD2#)
      3.000     1.100     1.100 peak  1928 spectrum    1 weight  0.10000E+01 volume  0.11252E-02 ppm1      1.761 ppm2      0.227 CV     1
 ASSI ! 1933!
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 89   and name HG  ))
      3.000     1.100     1.100 peak  1933 spectrum    1 weight  0.10000E+01 volume  0.98106E-03 ppm1      5.232 ppm2      1.308 CV     1
 ASSI ! 1934!
   (( segid "    " and resid 88   and name HA  ))
   (( segid "    " and resid 89   and name HG  ))
      3.800     1.800     1.800 peak  1934 spectrum    1 weight  0.10000E+01 volume  0.91814E-03 ppm1      4.341 ppm2      1.307 CV     1
 ASSI ! 1936!
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HG  ))
      2.900     1.100     1.100 peak  1936 spectrum    1 weight  0.10000E+01 volume  0.31212E-02 ppm1      1.755 ppm2      1.315 CV     1
 ASSI ! 1937!
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HG  ))
      2.400     0.700     0.700 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.35419E-02 ppm1      1.548 ppm2      1.309 CV     1
 ASSI ! 1938!
   (  segid "    " and resid 89   and name HD1#)
   (( segid "    " and resid 89   and name HG  ))
      2.400     0.700     0.700 peak  1938 spectrum    1 weight  0.10000E+01 volume  0.48202E-02 ppm1      0.643 ppm2      1.306 CV     1
 ASSI ! 1939!
   (  segid "    " and resid 89   and name HD2#)
   (( segid "    " and resid 89   and name HG  ))
      2.200     0.600     0.600 peak  1939 spectrum    1 weight  0.10000E+01 volume  0.72764E-02 ppm1      0.231 ppm2      1.309 CV     1
 ASSI ! 1940!
   (( segid "    " and resid 36   and name HB  ))
   (( segid "    " and resid 89   and name HN  ))
      3.900     1.900     1.900 peak  1940 spectrum    1 weight  0.10000E+01 volume  0.44518E-03 ppm1      4.432 ppm2      8.219 CV     1
 ASSI ! 1941!
   (  segid "    " and resid 36   and name HG2#)
   (( segid "    " and resid 89   and name HN  ))
      4.400     2.400     1.600 peak  1941 spectrum    1 weight  0.10000E+01 volume  0.41685E-03 ppm1      1.193 ppm2      8.234 CV     1
 ASSI ! 1942!
   (( segid "    " and resid 37   and name HA  ))
   (( segid "    " and resid 89   and name HN  ))
      3.100     1.200     1.200 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.24376E-02 ppm1      5.230 ppm2      8.231 CV     1
 ASSI ! 1943!
   (  segid "    " and resid 37   and name HG2#)
   (( segid "    " and resid 89   and name HN  ))
      3.900     1.900     1.900 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.15331E-02 ppm1      1.145 ppm2      8.234 CV     1
 ASSI ! 1945!
   (( segid "    " and resid 88  and name HB2 ) or ( segid "    " and resid 88  and name HB1 ))
   (( segid "    " and resid 89   and name HN  ))
      3.000     1.100     1.100 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.31599E-02 ppm1      1.974 ppm2      8.240 CV     1
 ASSI ! 1946!
   (( segid "    " and resid 88   and name HG1 ))
   (( segid "    " and resid 89   and name HN  ))
      4.900     3.100     1.100 peak  1946 spectrum    1 weight  0.10000E+01 volume  0.10319E-02 ppm1      2.367 ppm2      8.225 CV     1
 ASSI ! 1947!
   (( segid "    " and resid 88   and name HG2 ))
   (( segid "    " and resid 89   and name HN  ))
      4.500     2.500     1.500 peak  1947 spectrum    1 weight  0.10000E+01 volume  0.10698E-02 ppm1      2.226 ppm2      8.228 CV     1
 ASSI ! 1949!
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 89   and name HN  ))
      3.400     1.500     1.500 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.32433E-02 ppm1      1.755 ppm2      8.234 CV     1
 ASSI ! 1950!
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 89   and name HN  ))
      2.600     0.900     0.900 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.19855E-02 ppm1      1.542 ppm2      8.231 CV     1
 ASSI ! 1951!
   (  segid "    " and resid 89   and name HD1#)
   (( segid "    " and resid 89   and name HN  ))
      3.900     1.900     1.900 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.17423E-02 ppm1      0.634 ppm2      8.231 CV     1
 ASSI ! 1952!
   (  segid "    " and resid 89   and name HD2#)
   (( segid "    " and resid 89   and name HN  ))
      3.700     1.700     1.700 peak  1952 spectrum    1 weight  0.10000E+01 volume  0.24573E-02 ppm1      0.231 ppm2      8.228 CV     1
 ASSI ! 1954!
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 90   and name HA  ))
      2.600     0.800     0.800 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.25837E-02 ppm1      1.671 ppm2      4.133 CV     1
 ASSI ! 1955!
   (( segid "    " and resid 90   and name HB2 ))
   (( segid "    " and resid 90   and name HA  ))
      2.900     1.000     1.000 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.28238E-02 ppm1      1.545 ppm2      4.145 CV     1
 ASSI ! 1956!
   (  segid "    " and resid 90   and name HD1#)
   (( segid "    " and resid 90   and name HA  ))
      4.100     2.100     1.900 peak  1956 spectrum    1 weight  0.10000E+01 volume  0.27979E-02 ppm1      0.944 ppm2      4.130 CV     1
 ASSI ! 1957!
   (  segid "    " and resid 90   and name HD2#)
   (( segid "    " and resid 90   and name HA  ))
      2.000     0.500     0.500 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.17191E-01 ppm1      1.031 ppm2      4.133 CV     1
 ASSI ! 1961!
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 90   and name HB1 ))
      4.700     2.800     1.300 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.35177E-03 ppm1      4.370 ppm2      1.666 CV     1
 ASSI ! 1963!
   (  segid "    " and resid 90   and name HD2#)
   (( segid "    " and resid 90   and name HB1 ))
      2.300     0.700     0.700 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.74907E-02 ppm1      1.028 ppm2      1.675 CV     1
 ASSI ! 1964!
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 90   and name HB2 ))
      5.100     3.200     0.900 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.67821E-03 ppm1      3.197 ppm2      1.540 CV     1
 ASSI ! 1965!
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 90   and name HB2 ))
      4.300     2.300     1.700 peak  1965 spectrum    1 weight  0.10000E+01 volume  0.44634E-03 ppm1      2.832 ppm2      1.531 CV     1
 ASSI ! 1966!
   (( segid "    " and resid 70   and name HA1 ))
   (( segid "    " and resid 90   and name HB2 ))
      2.700     0.900     0.900 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.51819E-03 ppm1      4.367 ppm2      1.549 CV     1
 ASSI ! 1967!
   (( segid "    " and resid 70   and name HA2 ))
   (( segid "    " and resid 90   and name HB2 ))
      3.300     1.400     1.400 peak  1967 spectrum    1 weight  0.10000E+01 volume  0.70741E-03 ppm1      3.872 ppm2      1.549 CV     1
 ASSI ! 1968!
   (  segid "    " and resid 90   and name HD1#)
   (( segid "    " and resid 90   and name HB2 ))
      2.300     0.700     0.700 peak  1968 spectrum    1 weight  0.10000E+01 volume  0.72473E-02 ppm1      0.949 ppm2      1.546 CV     1
 ASSI ! 1972!
   (( segid "    " and resid 90   and name HB1 ))
   (  segid "    " and resid 90   and name HD1#)
      2.500     0.800     0.800 peak  1972 spectrum    1 weight  0.10000E+01 volume  0.46445E-02 ppm1      1.665 ppm2      0.940 CV     1
 ASSI ! 1974!
   (( segid "    " and resid 90   and name HG  ))
   (  segid "    " and resid 90   and name HD1#)
      2.100     0.500     0.500 peak  1974 spectrum    1 weight  0.10000E+01 volume  0.10143E-01 ppm1      1.872 ppm2      0.955 CV     1
 ASSI ! 1975!
   (( segid "    " and resid 68   and name HB2 ))
   (  segid "    " and resid 90   and name HD2#)
      4.900     3.000     1.100 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.48679E-03 ppm1      2.835 ppm2      1.027 CV     1
 ASSI ! 1976!
   (( segid "    " and resid 70   and name HA1 ))
   (  segid "    " and resid 90   and name HD2#)
      5.800     4.200     0.200 peak  1976 spectrum    1 weight  0.10000E+01 volume  0.72946E-03 ppm1      4.364 ppm2      1.033 CV     1
 ASSI ! 1977!
   (( segid "    " and resid 70   and name HA2 ))
   (  segid "    " and resid 90   and name HD2#)
      5.800     4.100     0.200 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.61455E-03 ppm1      3.875 ppm2      1.027 CV     1
 ASSI ! 1978!
   (( segid "    " and resid 89   and name HA  ))
   (  segid "    " and resid 90   and name HD2#)
      5.200     3.300     0.800 peak  1978 spectrum    1 weight  0.10000E+01 volume  0.66019E-03 ppm1      4.298 ppm2      1.021 CV     1
 ASSI ! 1981!
   (( segid "    " and resid 90   and name HB2 ))
   (  segid "    " and resid 90   and name HD2#)
      3.300     1.400     1.400 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.39666E-02 ppm1      1.545 ppm2      1.042 CV     1
 ASSI ! 1985!
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HG  ))
      2.800     1.000     1.000 peak  1985 spectrum    1 weight  0.10000E+01 volume  0.31490E-02 ppm1      4.133 ppm2      1.873 CV     1
 ASSI ! 1986!
   (  segid "    " and resid 90   and name HD2#)
   (( segid "    " and resid 90   and name HG  ))
      2.000     0.500     0.500 peak  1986 spectrum    1 weight  0.10000E+01 volume  0.13578E-01 ppm1      1.034 ppm2      1.876 CV     1
 ASSI ! 1987!
   (  segid "    " and resid 66   and name HG2#)
   (( segid "    " and resid 90   and name HN  ))
      4.200     2.200     1.800 peak  1987 spectrum    1 weight  0.10000E+01 volume  0.68648E-03 ppm1      1.034 ppm2      7.776 CV     1
 ASSI ! 1988!
   (( segid "    " and resid 89   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      2.000     0.500     0.500 peak  1988 spectrum    1 weight  0.10000E+01 volume  0.65051E-02 ppm1      4.295 ppm2      7.776 CV     1
 ASSI ! 1989!
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 90   and name HN  ))
      3.000     1.200     1.200 peak  1989 spectrum    1 weight  0.10000E+01 volume  0.12010E-02 ppm1      1.755 ppm2      7.773 CV     1
 ASSI ! 1992!
   (  segid "    " and resid 89   and name HD2#)
   (( segid "    " and resid 90   and name HN  ))
      3.400     1.500     1.500 peak  1992 spectrum    1 weight  0.10000E+01 volume  0.25051E-02 ppm1      0.234 ppm2      7.776 CV     1
 ASSI ! 1993!
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 90   and name HN  ))
      2.600     0.800     0.800 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.25654E-02 ppm1      4.136 ppm2      7.779 CV     1
 ASSI ! 1994!
   (( segid "    " and resid 90   and name HB1 ))
   (( segid "    " and resid 90   and name HN  ))
      3.400     1.400     1.400 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.21011E-02 ppm1      1.668 ppm2      7.776 CV     1
 ASSI ! 1995!
   (  segid "    " and resid 90   and name HD1#)
   (( segid "    " and resid 90   and name HN  ))
      3.900     1.900     1.900 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.18598E-02 ppm1      0.947 ppm2      7.782 CV     1
 ASSI ! 1996!
   (  segid "    " and resid 90   and name HD2#)
   (( segid "    " and resid 90   and name HN  ))
      3.600     1.600     1.600 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.28977E-02 ppm1      1.031 ppm2      7.776 CV     1
 ASSI ! 1997!
   (( segid "    " and resid 90   and name HG  ))
   (( segid "    " and resid 90   and name HN  ))
      2.500     0.800     0.800 peak  1997 spectrum    1 weight  0.10000E+01 volume  0.29784E-02 ppm1      1.866 ppm2      7.779 CV     1
 ASSI ! 2000!
   (( segid "    " and resid 67  and name HB2 ) or ( segid "    " and resid 67  and name HB1 ))
   (( segid "    " and resid 91   and name HA2 ))
      3.600     1.600     1.600 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.22882E-02 ppm1      2.019 ppm2      3.896 CV     1
 ASSI ! 2001!
   (( segid "    " and resid 66   and name HB  ))
   (( segid "    " and resid 91   and name HN  ))
      3.600     1.600     1.600 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.63685E-03 ppm1      4.151 ppm2      7.218 CV     1
 ASSI ! 2002!
   (  segid "    " and resid 66   and name HG2#)
   (( segid "    " and resid 91   and name HN  ))
      3.200     1.300     1.300 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.23893E-02 ppm1      1.037 ppm2      7.227 CV     1
 ASSI ! 2003!
   (( segid "    " and resid 67  and name HB2 ) or ( segid "    " and resid 67  and name HB1 ))
   (( segid "    " and resid 91   and name HN  ))
      5.300     3.600     0.700 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.46138E-03 ppm1      2.025 ppm2      7.221 CV     1
 ASSI ! 2004!
   (( segid "    " and resid 68   and name HB1 ))
   (( segid "    " and resid 91   and name HN  ))
      5.100     3.300     0.900 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.65641E-03 ppm1      3.191 ppm2      7.227 CV     1
 ASSI ! 2005!
   (( segid "    " and resid 68   and name HB2 ))
   (( segid "    " and resid 91   and name HN  ))
      3.700     1.700     1.700 peak  2005 spectrum    1 weight  0.10000E+01 volume  0.10315E-02 ppm1      2.847 ppm2      7.221 CV     1
 ASSI ! 2007!
   (( segid "    " and resid 89   and name HB1 ))
   (( segid "    " and resid 91   and name HN  ))
      2.700     0.900     0.900 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.19390E-02 ppm1      1.755 ppm2      7.218 CV     1
 ASSI ! 2008!
   (( segid "    " and resid 89   and name HB2 ))
   (( segid "    " and resid 91   and name HN  ))
      3.300     1.300     1.300 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.31354E-02 ppm1      1.539 ppm2      7.218 CV     1
 ASSI ! 2010!
   (  segid "    " and resid 89   and name HD2#)
   (( segid "    " and resid 91   and name HN  ))
      4.000     2.000     2.000 peak  2010 spectrum    1 weight  0.10000E+01 volume  0.14182E-02 ppm1      0.237 ppm2      7.224 CV     1
 ASSI ! 2011!
   (( segid "    " and resid 90   and name HA  ))
   (( segid "    " and resid 91   and name HN  ))
      3.000     1.100     1.100 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.18271E-02 ppm1      4.139 ppm2      7.221 CV     1
 ASSI ! 2013!
   (( segid "    " and resid 91   and name HA1 ))
   (( segid "    " and resid 91   and name HN  ))
      2.600     0.800     0.800 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.29262E-02 ppm1      4.160 ppm2      7.227 CV     1
 ASSI ! 2014!
   (( segid "    " and resid 91   and name HA2 ))
   (( segid "    " and resid 91   and name HN  ))
      2.800     1.000     1.000 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.22602E-02 ppm1      3.896 ppm2      7.224 CV     1
 ASSI ! 2015!
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 92   and name HA  ))
      4.300     2.300     1.700 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.44111E-03 ppm1      2.652 ppm2      4.151 CV     1
 ASSI ! 2016!
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 92   and name HA  ))
      5.500     3.800     0.500 peak  2016 spectrum    1 weight  0.10000E+01 volume  0.51362E-03 ppm1      2.556 ppm2      4.154 CV     1
 ASSI ! 2017!
   (( segid "    " and resid 92   and name HB1 ))
   (( segid "    " and resid 92   and name HA  ))
      2.800     1.000     1.000 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.28791E-02 ppm1      1.575 ppm2      4.151 CV     1
 ASSI ! 2020!
   (( segid "    " and resid 92   and name HG1 ))
   (( segid "    " and resid 92   and name HA  ))
      2.500     0.800     0.800 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.26623E-02 ppm1      1.577 ppm2      4.151 CV     1
 ASSI ! 2021!
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 92   and name HA  ))
      3.300     1.400     1.400 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.28008E-02 ppm1      1.445 ppm2      4.157 CV     1
 ASSI ! 2023!
   (( segid "    " and resid 113  and name HG1 ))
   (( segid "    " and resid 92   and name HB1 ))
      4.800     2.900     1.200 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.15713E-02 ppm1      2.238 ppm2      1.576 CV     1
 ASSI ! 2024!
   (( segid "    " and resid 114  and name HA1 ))
   (( segid "    " and resid 92   and name HB1 ))
      3.300     1.300     1.300 peak  2024 spectrum    1 weight  0.10000E+01 volume  0.17660E-02 ppm1      4.049 ppm2      1.576 CV     1
 ASSI ! 2025!
   (( segid "    " and resid 114  and name HA2 ))
   (( segid "    " and resid 92   and name HB1 ))
      2.300     0.700     0.700 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.12084E-02 ppm1      3.188 ppm2      1.573 CV     1
 ASSI ! 2026!
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HB2 ))
      2.400     0.700     0.700 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.43841E-02 ppm1      4.145 ppm2      1.474 CV     1
 ASSI ! 2028!
   (( segid "    " and resid 92  and name HE2 ) or ( segid "    " and resid 92  and name HE1 ))
   (( segid "    " and resid 92   and name HB2 ))
      3.000     1.100     1.100 peak  2028 spectrum    1 weight  0.10000E+01 volume  0.42130E-02 ppm1      2.991 ppm2      1.462 CV     1
 ASSI ! 2029!
   (( segid "    " and resid 113  and name HG1 ))
   (( segid "    " and resid 92   and name HB2 ))
      6.000     4.800     0.000 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.64528E-03 ppm1      2.235 ppm2      1.462 CV     1
 ASSI ! 2030!
   (( segid "    " and resid 114  and name HA1 ))
   (( segid "    " and resid 92   and name HB2 ))
      4.900     3.100     1.100 peak  2030 spectrum    1 weight  0.10000E+01 volume  0.13793E-02 ppm1      4.049 ppm2      1.471 CV     1
 ASSI ! 2031!
   (( segid "    " and resid 114  and name HA2 ))
   (( segid "    " and resid 92   and name HB2 ))
      3.800     1.800     1.800 peak  2031 spectrum    1 weight  0.10000E+01 volume  0.11290E-02 ppm1      3.182 ppm2      1.486 CV     1
 ASSI ! 2032!
   (( segid "    " and resid 91   and name HA1 ))
   (( segid "    " and resid 92  and name HD1 ) or ( segid "    " and resid 92  and name HD2 ))
      5.100     3.200     0.900 peak  2032 spectrum    1 weight  0.10000E+01 volume  0.59573E-03 ppm1      4.151 ppm2      1.573 CV     1
 ASSI ! 2033!
   (( segid "    " and resid 91   and name HA2 ))
   (( segid "    " and resid 92  and name HD1 ) or ( segid "    " and resid 92  and name HD2 ))
      5.000     3.100     1.000 peak  2033 spectrum    1 weight  0.10000E+01 volume  0.34191E-03 ppm1      3.899 ppm2      1.570 CV     1
 ASSI ! 2034!
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92  and name HD2 ) or ( segid "    " and resid 92  and name HD1 ))
      2.300     0.700     0.700 peak  2034 spectrum    1 weight  0.10000E+01 volume  0.73706E-02 ppm1      4.148 ppm2      1.564 CV     1
 ASSI ! 2035!
   (( segid "    " and resid 92  and name HE2 ) or ( segid "    " and resid 92  and name HE1 ))
   (( segid "    " and resid 92  and name HD1 ) or ( segid "    " and resid 92  and name HD2 ))
      2.200     0.600     0.600 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.10278E-01 ppm1      2.988 ppm2      1.573 CV     1
 ASSI ! 2036!
   (( segid "    " and resid 92   and name HB1 ))
   (( segid "    " and resid 92  and name HE2 ) or ( segid "    " and resid 92  and name HE1 ))
      4.400     2.400     1.600 peak  2036 spectrum    1 weight  0.10000E+01 volume  0.88060E-03 ppm1      1.575 ppm2      3.003 CV     1
 ASSI ! 2040!
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 92   and name HN  ))
      3.200     1.300     1.300 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.42620E-03 ppm1      2.655 ppm2      8.777 CV     1
 ASSI ! 2042!
   (( segid "    " and resid 91   and name HA1 ))
   (( segid "    " and resid 92   and name HN  ))
      2.500     0.800     0.800 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.29448E-02 ppm1      4.163 ppm2      8.771 CV     1
 ASSI ! 2044!
   (( segid "    " and resid 92   and name HA  ))
   (( segid "    " and resid 92   and name HN  ))
      2.800     1.000     1.000 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.18858E-02 ppm1      4.148 ppm2      8.774 CV     1
 ASSI ! 2049!
   (( segid "    " and resid 92   and name HG1 ))
   (( segid "    " and resid 92   and name HN  ))
      3.700     1.700     1.700 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.22483E-02 ppm1      1.580 ppm2      8.771 CV     1
 ASSI ! 2050!
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 92   and name HN  ))
      4.000     2.000     2.000 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.18502E-02 ppm1      1.463 ppm2      8.774 CV     1
 ASSI ! 2051!
   (  segid "    " and resid 41   and name HD1#)
   (( segid "    " and resid 93   and name HA  ))
      4.100     2.100     1.900 peak  2051 spectrum    1 weight  0.10000E+01 volume  0.93521E-03 ppm1      0.814 ppm2      3.839 CV     1
 ASSI ! 2052!
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 93   and name HA  ))
      2.600     0.800     0.800 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.28937E-02 ppm1      5.215 ppm2      3.835 CV     1
 ASSI ! 2053!
   (( segid "    " and resid 66   and name HB  ))
   (( segid "    " and resid 93   and name HA  ))
      3.600     1.600     1.600 peak  2053 spectrum    1 weight  0.10000E+01 volume  0.80792E-03 ppm1      4.154 ppm2      3.836 CV     1
 ASSI ! 2054!
   (  segid "    " and resid 66   and name HG2#)
   (( segid "    " and resid 93   and name HA  ))
      1.900     0.500     0.500 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.62676E-02 ppm1      1.043 ppm2      3.836 CV     1
 ASSI ! 2056!
   (( segid "    " and resid 93   and name HB2 ))
   (( segid "    " and resid 93   and name HA  ))
      2.500     0.800     0.800 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.14847E-02 ppm1      1.908 ppm2      3.842 CV     1
 ASSI ! 2057!
   (( segid "    " and resid 93   and name HG2 ) or ( segid "    " and resid 93  and name HG1 ))
   (( segid "    " and resid 93   and name HA  ))
      2.500     0.800     0.800 peak  2057 spectrum    1 weight  0.10000E+01 volume  0.29525E-02 ppm1      2.433 ppm2      3.833 CV     1
 ASSI ! 2058!
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 93   and name HA  ))
      4.400     2.400     1.600 peak  2058 spectrum    1 weight  0.10000E+01 volume  0.59880E-03 ppm1      2.893 ppm2      3.830 CV     1
 ASSI ! 2059!
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 93   and name HA  ))
      4.700     2.700     1.300 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.55993E-03 ppm1      2.299 ppm2      3.836 CV     1
 ASSI ! 2060!
   (  segid "    " and resid 41   and name HD1#)
   (( segid "    " and resid 93   and name HB1 ))
      4.400     2.400     1.600 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.80281E-03 ppm1      0.826 ppm2      2.076 CV     1
 ASSI ! 2061!
   (  segid "    " and resid 93   and name HE# )
   (( segid "    " and resid 93   and name HB1 ))
      2.400     0.700     0.700 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.37827E-02 ppm1      1.878 ppm2      2.073 CV     1
 ASSI ! 2063!
   (( segid "    " and resid 112  and name HA1 ))
   (( segid "    " and resid 93   and name HB1 ))
      4.200     2.200     1.800 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.30960E-03 ppm1      4.463 ppm2      2.076 CV     1
 ASSI ! 2064!
   (( segid "    " and resid 112  and name HA2 ))
   (( segid "    " and resid 93   and name HB1 ))
      5.600     3.900     0.400 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.41648E-03 ppm1      3.851 ppm2      2.076 CV     1
 ASSI ! 2065!
   (( segid "    " and resid 113  and name HD1 ))
   (( segid "    " and resid 93   and name HB1 ))
      4.800     2.900     1.200 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.56724E-03 ppm1      4.004 ppm2      2.070 CV     1
 ASSI ! 2066!
   (( segid "    " and resid 113  and name HD2 ))
   (( segid "    " and resid 93   and name HB1 ))
      3.000     1.200     1.200 peak  2066 spectrum    1 weight  0.10000E+01 volume  0.53107E-03 ppm1      3.632 ppm2      2.067 CV     1
 ASSI ! 2067!
   (  segid "    " and resid 41   and name HD1#)
   (( segid "    " and resid 93   and name HB2 ))
      2.300     0.700     0.700 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.28765E-02 ppm1      0.820 ppm2      1.888 CV     1
 ASSI ! 2068!
   (( segid "    " and resid 93   and name HG1 ) or ( segid "    " and resid 93  and name HG2 ))
   (( segid "    " and resid 93   and name HB2 ))
      2.200     0.600     0.600 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.67323E-02 ppm1      2.430 ppm2      1.888 CV     1
 ASSI ! 2069!
   (( segid "    " and resid 113  and name HD1 ))
   (( segid "    " and resid 93   and name HB2 ))
      4.500     2.500     1.500 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.33163E-02 ppm1      3.998 ppm2      1.888 CV     1
 ASSI ! 2070!
   (( segid "    " and resid 113  and name HD2 ))
   (( segid "    " and resid 93   and name HB2 ))
      3.400     1.400     1.400 peak  2070 spectrum    1 weight  0.10000E+01 volume  0.31854E-02 ppm1      3.626 ppm2      1.882 CV     1
 ASSI ! 2071!
   (( segid "    " and resid 113  and name HG1 ))
   (( segid "    " and resid 93   and name HB2 ))
      3.500     3.500     2.500 peak  2071 spectrum    1 weight  0.10000E+01 volume  0.86095E-02 ppm1      2.235 ppm2      1.903 CV     1
 ASSI ! 2073!
   (( segid "    " and resid 96   and name HB  ))
   (  segid "    " and resid 93   and name HE# )
      4.300     2.300     1.700 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.51175E-03 ppm1      3.677 ppm2      1.882 CV     1
 ASSI ! 2075!
   (( segid "    " and resid 111  and name HA  ))
   (  segid "    " and resid 93   and name HE# )
      4.000     2.000     2.000 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.63008E-03 ppm1      4.759 ppm2      1.879 CV     1
 ASSI ! 2076!
   (( segid "    " and resid 112  and name HA1 ))
   (  segid "    " and resid 93   and name HE# )
      2.600     0.800     0.800 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.31158E-02 ppm1      4.457 ppm2      1.879 CV     1
 ASSI ! 2079!
   (  segid "    " and resid 41   and name HD2#)
   (( segid "    " and resid 93   and name HG1 ) or ( segid "    " and resid 93  and name HG2 ))
      3.000     1.200     1.200 peak  2079 spectrum    1 weight  0.10000E+01 volume  0.29111E-02 ppm1      0.920 ppm2      2.436 CV     1
 ASSI ! 2080!
   (  segid "    " and resid 45   and name HD1#)
   (( segid "    " and resid 93   and name HG1 ) or ( segid "    " and resid 93  and name HG2 ))
      3.400     1.400     1.400 peak  2080 spectrum    1 weight  0.10000E+01 volume  0.13239E-02 ppm1      0.937 ppm2      2.433 CV     1
 ASSI ! 2082!
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 93   and name HG2 ) or ( segid "    " and resid 93  and name HG1 ))
      2.600     0.900     0.900 peak  2082 spectrum    1 weight  0.10000E+01 volume  0.35069E-02 ppm1      2.091 ppm2      2.427 CV     1
 ASSI ! 2084!
   (  segid "    " and resid 93   and name HE# )
   (( segid "    " and resid 93   and name HG2 ) or ( segid "    " and resid 93  and name HG1 ))
      2.400     0.700     0.700 peak  2084 spectrum    1 weight  0.10000E+01 volume  0.10411E-01 ppm1      1.878 ppm2      2.436 CV     1
 ASSI ! 2086!
   (  segid "    " and resid 96   and name HG2#)
   (( segid "    " and resid 93   and name HG1 ) or ( segid "    " and resid 93  and name HG2 ))
      2.900     2.900     3.100 peak  2086 spectrum    1 weight  0.10000E+01 volume  0.66110E-03 ppm1      0.645 ppm2      2.427 CV     1
 ASSI ! 2087!
   (( segid "    " and resid 112  and name HA2 ))
   (( segid "    " and resid 93   and name HG2 ) or ( segid "    " and resid 93  and name HG1 ))
      5.300     3.500     0.700 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.32509E-03 ppm1      3.848 ppm2      2.424 CV     1
 ASSI ! 2094!
   (( segid "    " and resid 92  and name HD2 ) or ( segid "    " and resid 92  and name HD1 ))
   (( segid "    " and resid 93   and name HN  ))
      4.400     2.400     1.600 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.70355E-03 ppm1      1.581 ppm2      9.185 CV     1
 ASSI ! 2095!
   (( segid "    " and resid 92   and name HG1 ))
   (( segid "    " and resid 93   and name HN  ))
      2.900     1.100     1.100 peak  2095 spectrum    1 weight  0.10000E+01 volume  0.56753E-03 ppm1      1.595 ppm2      9.188 CV     1
 ASSI ! 2096!
   (( segid "    " and resid 92   and name HG2 ))
   (( segid "    " and resid 93   and name HN  ))
      5.000     3.100     1.000 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.39811E-03 ppm1      1.451 ppm2      9.194 CV     1
 ASSI ! 2100!
   (  segid "    " and resid 93   and name HE# )
   (( segid "    " and resid 93   and name HN  ))
      4.900     3.000     1.100 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.79629E-03 ppm1      1.869 ppm2      9.185 CV     1
 ASSI ! 2104!
   (( segid "    " and resid 113  and name HG1 ))
   (( segid "    " and resid 93   and name HN  ))
      6.000     4.500     0.000 peak  2104 spectrum    1 weight  0.10000E+01 volume  0.24803E-03 ppm1      2.235 ppm2      9.188 CV     1
 ASSI ! 2105!
   (( segid "    " and resid 113  and name HG2 ))
   (( segid "    " and resid 93   and name HN  ))
      3.800     1.800     1.800 peak  2105 spectrum    1 weight  0.10000E+01 volume  0.39288E-03 ppm1      1.899 ppm2      9.188 CV     1
 ASSI ! 2107!
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HB1 ))
      2.900     1.100     1.100 peak  2107 spectrum    1 weight  0.10000E+01 volume  0.28968E-02 ppm1      4.768 ppm2      2.904 CV     1
 ASSI ! 2108!
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 94   and name HB1 ))
      1.600     0.300     0.600 peak  2108 spectrum    1 weight  0.10000E+01 volume  0.61778E-02 ppm1      2.302 ppm2      2.901 CV     1
 ASSI ! 2110!
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HB2 ))
      2.600     0.800     0.800 peak  2110 spectrum    1 weight  0.10000E+01 volume  0.22326E-02 ppm1      4.762 ppm2      2.304 CV     1
 ASSI ! 2112!
   (( segid "    " and resid 65   and name HB1 ))
   (  segid "    " and resid 94   and name HD# )
      3.400     1.400     1.400 peak  2112 spectrum    1 weight  0.10000E+01 volume  0.14422E-02 ppm1      2.169 ppm2      6.870 CV     1
 ASSI ! 2113!
   (( segid "    " and resid 65   and name HB2 ))
   (  segid "    " and resid 94   and name HD# )
      3.000     1.200     1.200 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.16486E-02 ppm1      1.680 ppm2      6.867 CV     1
 ASSI ! 2114!
   (( segid "    " and resid 65   and name HG  ))
   (  segid "    " and resid 94   and name HD# )
      4.300     2.300     1.700 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.10965E-02 ppm1      1.857 ppm2      6.867 CV     1
 ASSI ! 2115!
   (( segid "    " and resid 94   and name HA  ))
   (  segid "    " and resid 94   and name HD# )
      2.700     0.900     0.900 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.33075E-02 ppm1      4.768 ppm2      6.876 CV     1
 ASSI ! 2116!
   (( segid "    " and resid 94   and name HB1 ))
   (  segid "    " and resid 94   and name HD# )
      2.500     0.800     0.800 peak  2116 spectrum    1 weight  0.10000E+01 volume  0.27883E-02 ppm1      2.908 ppm2      6.873 CV     1
 ASSI ! 2117!
   (( segid "    " and resid 94   and name HB2 ))
   (  segid "    " and resid 94   and name HD# )
      2.800     1.000     1.000 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.27990E-02 ppm1      2.299 ppm2      6.873 CV     1
 ASSI ! 2118!
   (( segid "    " and resid 95   and name HB1 ))
   (  segid "    " and resid 94   and name HD# )
      3.900     1.900     1.900 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.54569E-03 ppm1      0.943 ppm2      6.879 CV     1
 ASSI ! 2119!
   (( segid "    " and resid 95   and name HB2 ))
   (  segid "    " and resid 94   and name HD# )
      3.500     1.600     1.600 peak  2119 spectrum    1 weight  0.10000E+01 volume  0.50773E-03 ppm1      0.835 ppm2      6.879 CV     1
 ASSI ! 2120!
   (( segid "    " and resid 95   and name HD1 ))
   (  segid "    " and resid 94   and name HD# )
      4.500     2.500     1.500 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.35863E-03 ppm1      1.213 ppm2      6.876 CV     1
 ASSI ! 2121!
   (( segid "    " and resid 95   and name HD2 ))
   (  segid "    " and resid 94   and name HD# )
      4.500     2.600     1.500 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.50735E-03 ppm1      1.042 ppm2      6.876 CV     1
 ASSI ! 2122!
   (( segid "    " and resid 95   and name HE2 ))
   (  segid "    " and resid 94   and name HD# )
      2.800     2.800     3.200 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.86826E-03 ppm1      2.454 ppm2      6.873 CV     1
 ASSI ! 2123!
   (( segid "    " and resid 115  and name HA  ))
   (  segid "    " and resid 94   and name HD# )
      3.400     1.500     1.500 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.15396E-02 ppm1      4.535 ppm2      6.876 CV     1
 ASSI ! 2124!
   (( segid "    " and resid 116  and name HA  ))
   (  segid "    " and resid 94   and name HD# )
      3.800     1.800     1.800 peak  2124 spectrum    1 weight  0.10000E+01 volume  0.56354E-03 ppm1      3.576 ppm2      6.879 CV     1
 ASSI ! 2125!
   (  segid "    " and resid 65   and name HD1#)
   (  segid "    " and resid 94   and name HE# )
      3.600     1.600     1.600 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.13769E-02 ppm1      1.141 ppm2      6.777 CV     1
 ASSI ! 2126!
   (( segid "    " and resid 94   and name HA  ))
   (  segid "    " and resid 94   and name HE# )
      5.200     3.400     0.800 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.46499E-03 ppm1      4.768 ppm2      6.762 CV     1
 ASSI ! 2127!
   (( segid "    " and resid 94   and name HB1 ))
   (  segid "    " and resid 94   and name HE# )
      5.200     3.300     0.800 peak  2127 spectrum    1 weight  0.10000E+01 volume  0.35721E-03 ppm1      2.905 ppm2      6.771 CV     1
 ASSI ! 2128!
   (( segid "    " and resid 94   and name HB2 ))
   (  segid "    " and resid 94   and name HE# )
      5.500     3.800     0.500 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.25586E-03 ppm1      2.296 ppm2      6.768 CV     1
 ASSI ! 2129!
   (( segid "    " and resid 95   and name HD1 ))
   (  segid "    " and resid 94   and name HE# )
      4.600     2.700     1.400 peak  2129 spectrum    1 weight  0.10000E+01 volume  0.32779E-03 ppm1      1.201 ppm2      6.795 CV     1
 ASSI ! 2130!
   (( segid "    " and resid 95   and name HD2 ))
   (  segid "    " and resid 94   and name HE# )
      4.300     2.300     1.700 peak  2130 spectrum    1 weight  0.10000E+01 volume  0.67776E-03 ppm1      1.036 ppm2      6.780 CV     1
 ASSI ! 2131!
   (( segid "    " and resid 95   and name HE1 ))
   (  segid "    " and resid 94   and name HE# )
      3.300     1.400     1.400 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.14760E-02 ppm1      2.571 ppm2      6.777 CV     1
 ASSI ! 2132!
   (( segid "    " and resid 95   and name HE2 ))
   (  segid "    " and resid 94   and name HE# )
      3.400     1.500     1.500 peak  2132 spectrum    1 weight  0.10000E+01 volume  0.12065E-02 ppm1      2.454 ppm2      6.771 CV     1
 ASSI ! 2133!
   (( segid "    " and resid 95   and name HG2 ))
   (  segid "    " and resid 94   and name HE# )
      4.400     2.400     1.600 peak  2133 spectrum    1 weight  0.10000E+01 volume  0.51254E-03 ppm1      0.064 ppm2      6.780 CV     1
 ASSI ! 2134!
   (( segid "    " and resid 115  and name HA  ))
   (  segid "    " and resid 94   and name HE# )
      3.600     1.600     1.600 peak  2134 spectrum    1 weight  0.10000E+01 volume  0.84368E-03 ppm1      4.529 ppm2      6.771 CV     1
 ASSI ! 2135!
   (( segid "    " and resid 116  and name HA  ))
   (  segid "    " and resid 94   and name HE# )
      4.000     2.000     2.000 peak  2135 spectrum    1 weight  0.10000E+01 volume  0.44302E-03 ppm1      3.559 ppm2      6.759 CV     1
 ASSI ! 2136!
   (( segid "    " and resid 117  and name HB1 ))
   (  segid "    " and resid 94   and name HE# )
      3.100     3.100     2.900 peak  2136 spectrum    1 weight  0.10000E+01 volume  0.46964E-03 ppm1      2.760 ppm2      6.780 CV     1
 ASSI ! 2137!
   (( segid "    " and resid 117  and name HB2 ))
   (  segid "    " and resid 94   and name HE# )
      3.100     3.100     2.900 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.42819E-03 ppm1      2.580 ppm2      6.777 CV     1
 ASSI ! 2138!
   (  segid "    " and resid 64   and name HG2#)
   (( segid "    " and resid 94   and name HN  ))
      4.500     2.600     1.500 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.68739E-03 ppm1      0.682 ppm2      9.410 CV     1
 ASSI ! 2139!
   (( segid "    " and resid 66   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.300     0.600     0.600 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.25775E-02 ppm1      5.211 ppm2      9.419 CV     1
 ASSI ! 2141!
   (  segid "    " and resid 66   and name HG2#)
   (( segid "    " and resid 94   and name HN  ))
      3.700     1.700     1.700 peak  2141 spectrum    1 weight  0.10000E+01 volume  0.19219E-02 ppm1      1.052 ppm2      9.419 CV     1
 ASSI ! 2142!
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      2.100     0.600     0.600 peak  2142 spectrum    1 weight  0.10000E+01 volume  0.31256E-02 ppm1      3.835 ppm2      9.418 CV     1
 ASSI ! 2143!
   (( segid "    " and resid 93   and name HB1 ))
   (( segid "    " and resid 94   and name HN  ))
      4.700     2.700     1.300 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.31548E-03 ppm1      2.079 ppm2      9.422 CV     1
 ASSI ! 2145!
   (  segid "    " and resid 93   and name HE# )
   (( segid "    " and resid 94   and name HN  ))
      5.000     3.100     1.000 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.37609E-03 ppm1      1.875 ppm2      9.434 CV     1
 ASSI ! 2146!
   (( segid "    " and resid 93   and name HG2 ) or ( segid "    " and resid 93  and name HG1 ))
   (( segid "    " and resid 94   and name HN  ))
      3.200     1.300     1.300 peak  2146 spectrum    1 weight  0.10000E+01 volume  0.15778E-02 ppm1      2.430 ppm2      9.422 CV     1
 ASSI ! 2147!
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 94   and name HN  ))
      3.200     1.300     1.300 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.89214E-03 ppm1      4.765 ppm2      9.425 CV     1
 ASSI ! 2148!
   (( segid "    " and resid 94   and name HB1 ))
   (( segid "    " and resid 94   and name HN  ))
      2.400     0.700     0.700 peak  2148 spectrum    1 weight  0.10000E+01 volume  0.18235E-02 ppm1      2.902 ppm2      9.419 CV     1
 ASSI ! 2149!
   (( segid "    " and resid 94   and name HB2 ))
   (( segid "    " and resid 94   and name HN  ))
      2.900     1.000     1.000 peak  2149 spectrum    1 weight  0.10000E+01 volume  0.19592E-02 ppm1      2.302 ppm2      9.419 CV     1
 ASSI ! 2151!
   (( segid "    " and resid 95   and name HB1 ))
   (( segid "    " and resid 95   and name HA  ))
      3.000     1.100     1.100 peak  2151 spectrum    1 weight  0.10000E+01 volume  0.16051E-02 ppm1      0.943 ppm2      4.685 CV     1
 ASSI ! 2152!
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 95   and name HA  ))
      2.700     0.900     0.900 peak  2152 spectrum    1 weight  0.10000E+01 volume  0.22076E-02 ppm1      0.838 ppm2      4.685 CV     1
 ASSI ! 2153!
   (( segid "    " and resid 95   and name HG1 ))
   (( segid "    " and resid 95   and name HA  ))
      2.700     0.900     0.900 peak  2153 spectrum    1 weight  0.10000E+01 volume  0.26905E-02 ppm1      0.643 ppm2      4.694 CV     1
 ASSI ! 2154!
   (( segid "    " and resid 95   and name HG2 ))
   (( segid "    " and resid 95   and name HA  ))
      3.100     1.200     1.200 peak  2154 spectrum    1 weight  0.10000E+01 volume  0.17803E-02 ppm1      0.058 ppm2      4.694 CV     1
 ASSI ! 2157!
   (( segid "    " and resid 95   and name HG2 ))
   (( segid "    " and resid 95   and name HB1 ))
      2.700     0.900     0.900 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.20098E-02 ppm1      0.064 ppm2      0.940 CV     1
 ASSI ! 2158!
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 95   and name HB1 ))
      5.000     3.100     1.000 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.35744E-03 ppm1      4.774 ppm2      0.934 CV     1
 ASSI ! 2161!
   (( segid "    " and resid 95   and name HD1 ))
   (( segid "    " and resid 95   and name HB2 ))
      2.900     1.100     1.100 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.19449E-02 ppm1      1.204 ppm2      0.838 CV     1
 ASSI ! 2162!
   (( segid "    " and resid 95   and name HG2 ))
   (( segid "    " and resid 95   and name HB2 ))
      3.200     1.300     1.300 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.18902E-02 ppm1      0.067 ppm2      0.835 CV     1
 ASSI ! 2163!
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 95   and name HB2 ))
      4.300     2.300     1.700 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.55142E-03 ppm1      4.765 ppm2      0.823 CV     1
 ASSI ! 2164!
   (( segid "    " and resid 95   and name HB1 ))
   (( segid "    " and resid 95   and name HD1 ))
      3.400     1.400     1.400 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.12316E-02 ppm1      0.946 ppm2      1.198 CV     1
 ASSI ! 2167!
   (( segid "    " and resid 95   and name HE1 ))
   (( segid "    " and resid 95   and name HD1 ))
      3.000     1.100     1.100 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.23023E-02 ppm1      2.571 ppm2      1.201 CV     1
 ASSI ! 2168!
   (( segid "    " and resid 95   and name HE2 ))
   (( segid "    " and resid 95   and name HD1 ))
      2.500     0.800     0.800 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.31967E-02 ppm1      2.454 ppm2      1.204 CV     1
 ASSI ! 2169!
   (( segid "    " and resid 95   and name HG1 ))
   (( segid "    " and resid 95   and name HD1 ))
      3.100     1.200     1.200 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.13285E-02 ppm1      0.646 ppm2      1.198 CV     1
 ASSI ! 2170!
   (( segid "    " and resid 95   and name HG2 ))
   (( segid "    " and resid 95   and name HD1 ))
      3.400     1.400     1.400 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.10394E-02 ppm1      0.064 ppm2      1.195 CV     1
 ASSI ! 2172!
   (( segid "    " and resid 95   and name HE1 ))
   (( segid "    " and resid 95   and name HD2 ))
      2.900     1.000     1.000 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.23436E-02 ppm1      2.568 ppm2      1.042 CV     1
 ASSI ! 2173!
   (( segid "    " and resid 95   and name HE2 ))
   (( segid "    " and resid 95   and name HD2 ))
      3.100     1.200     1.200 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.19262E-02 ppm1      2.457 ppm2      1.042 CV     1
 ASSI ! 2174!
   (( segid "    " and resid 95   and name HG2 ))
   (( segid "    " and resid 95   and name HD2 ))
      3.000     1.200     1.200 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.16009E-02 ppm1      0.067 ppm2      1.024 CV     1
 ASSI ! 2184!
   (( segid "    " and resid 95   and name HG2 ))
   (( segid "    " and resid 95   and name HE2 ))
      3.400     1.400     1.400 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.15851E-02 ppm1      0.058 ppm2      2.457 CV     1
 ASSI ! 2186!
   (( segid "    " and resid 95   and name HB1 ))
   (( segid "    " and resid 95   and name HG1 ))
      3.100     1.200     1.200 peak  2186 spectrum    1 weight  0.10000E+01 volume  0.21874E-02 ppm1      0.934 ppm2      0.628 CV     1
 ASSI ! 2187!
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 95   and name HG1 ))
      2.800     1.000     1.000 peak  2187 spectrum    1 weight  0.10000E+01 volume  0.22601E-02 ppm1      0.835 ppm2      0.634 CV     1
 ASSI ! 2189!
   (( segid "    " and resid 95   and name HD2 ))
   (( segid "    " and resid 95   and name HG1 ))
      3.000     1.100     1.100 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.11520E-02 ppm1      1.033 ppm2      0.634 CV     1
 ASSI ! 2190!
   (( segid "    " and resid 95   and name HE1 ))
   (( segid "    " and resid 95   and name HG1 ))
      3.500     1.600     1.600 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.13408E-02 ppm1      2.568 ppm2      0.634 CV     1
 ASSI ! 2191!
   (( segid "    " and resid 95   and name HE2 ))
   (( segid "    " and resid 95   and name HG1 ))
      3.600     1.600     1.600 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.20273E-02 ppm1      2.451 ppm2      0.637 CV     1
 ASSI ! 2192!
   (( segid "    " and resid 95   and name HG2 ))
   (( segid "    " and resid 95   and name HG1 ))
      1.800     0.400     0.400 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.67701E-02 ppm1      0.067 ppm2      0.628 CV     1
 ASSI ! 2193!
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 95   and name HG1 ))
      3.800     1.800     1.800 peak  2193 spectrum    1 weight  0.10000E+01 volume  0.70081E-03 ppm1      4.759 ppm2      0.634 CV     1
 ASSI ! 2199!
   (( segid "    " and resid 95   and name HE1 ))
   (( segid "    " and resid 95   and name HG2 ))
      2.900     1.000     1.000 peak  2199 spectrum    1 weight  0.10000E+01 volume  0.20551E-02 ppm1      2.571 ppm2      0.062 CV     1
 ASSI ! 2216!
   (  segid "    " and resid 64   and name HG2#)
   (( segid "    " and resid 96   and name HA  ))
      4.300     2.300     1.700 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.76846E-03 ppm1      0.673 ppm2      5.146 CV     1
 ASSI ! 2219!
   (  segid "    " and resid 96   and name HG2#)
   (( segid "    " and resid 96   and name HA  ))
      2.500     0.800     0.800 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.39998E-02 ppm1      0.642 ppm2      5.155 CV     1
 ASSI ! 2220!
   (  segid "    " and resid 45   and name HD1#)
   (( segid "    " and resid 96   and name HB  ))
      3.900     1.900     1.900 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.49203E-03 ppm1      0.937 ppm2      3.674 CV     1
 ASSI ! 2221!
   (  segid "    " and resid 45   and name HD2#)
   (( segid "    " and resid 96   and name HB  ))
      3.500     1.500     1.500 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.15648E-02 ppm1      0.908 ppm2      3.668 CV     1
 ASSI ! 2222!
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HB  ))
      3.300     1.400     1.400 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.85128E-03 ppm1      5.148 ppm2      3.673 CV     1
 ASSI ! 2224!
   (  segid "    " and resid 96   and name HG2#)
   (( segid "    " and resid 96   and name HB  ))
      2.300     0.600     0.600 peak  2224 spectrum    1 weight  0.10000E+01 volume  0.55619E-02 ppm1      0.639 ppm2      3.671 CV     1
 ASSI ! 2225!
   (( segid "    " and resid 110  and name HB  ))
   (( segid "    " and resid 96   and name HB  ))
      2.500     0.800     0.800 peak  2225 spectrum    1 weight  0.10000E+01 volume  0.23070E-02 ppm1      1.447 ppm2      3.668 CV     1
 ASSI ! 2226!
   (  segid "    " and resid 110  and name HD1#)
   (( segid "    " and resid 96   and name HB  ))
      3.000     3.000     3.000 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.55503E-03 ppm1      1.021 ppm2      3.677 CV     1
 ASSI ! 2227!
   (  segid "    " and resid 110  and name HG2#)
   (( segid "    " and resid 96   and name HB  ))
      3.900     1.900     1.900 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.90008E-03 ppm1      0.817 ppm2      3.668 CV     1
 ASSI ! 2228!
   (  segid "    " and resid 45   and name HD1#)
   (( segid "    " and resid 96   and name HG1 ))
      3.100     1.200     1.200 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.12285E-02 ppm1      0.940 ppm2      3.306 CV     1
 ASSI ! 2229!
   (  segid "    " and resid 45   and name HD2#)
   (( segid "    " and resid 96   and name HG1 ))
      3.100     1.200     1.200 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.24708E-02 ppm1      0.914 ppm2      3.309 CV     1
 ASSI ! 2230!
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 96   and name HG1 ))
      3.800     1.800     1.800 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.61085E-03 ppm1      4.314 ppm2      3.309 CV     1
 ASSI ! 2231!
   (  segid "    " and resid 64   and name HG2#)
   (( segid "    " and resid 96   and name HG1 ))
      2.900     1.000     1.000 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.19875E-02 ppm1      0.682 ppm2      3.306 CV     1
 ASSI ! 2232!
   (  segid "    " and resid 93   and name HE# )
   (( segid "    " and resid 96   and name HG1 ))
      2.600     0.800     0.800 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.51582E-02 ppm1      1.878 ppm2      3.306 CV     1
 ASSI ! 2233!
   (( segid "    " and resid 93   and name HG1 ) or ( segid "    " and resid 93  and name HG2 ))
   (( segid "    " and resid 96   and name HG1 ))
      2.800     1.000     1.000 peak  2233 spectrum    1 weight  0.10000E+01 volume  0.20863E-02 ppm1      2.430 ppm2      3.306 CV     1
 ASSI ! 2234!
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 96   and name HG1 ))
      4.000     2.000     2.000 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.63676E-03 ppm1      4.699 ppm2      3.309 CV     1
 ASSI ! 2235!
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 96   and name HG1 ))
      3.200     1.300     1.300 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.15113E-02 ppm1      5.150 ppm2      3.309 CV     1
 ASSI ! 2236!
   (( segid "    " and resid 96   and name HB  ))
   (( segid "    " and resid 96   and name HG1 ))
      2.500     0.800     0.800 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.29402E-02 ppm1      3.665 ppm2      3.303 CV     1
 ASSI ! 2237!
   (  segid "    " and resid 96   and name HG2#)
   (( segid "    " and resid 96   and name HG1 ))
      3.100     1.200     1.200 peak  2237 spectrum    1 weight  0.10000E+01 volume  0.29414E-02 ppm1      0.639 ppm2      3.309 CV     1
 ASSI ! 2238!
   (( segid "    " and resid 110  and name HB  ))
   (( segid "    " and resid 96   and name HG1 ))
      4.200     2.200     1.800 peak  2238 spectrum    1 weight  0.10000E+01 volume  0.64781E-03 ppm1      1.450 ppm2      3.306 CV     1
 ASSI ! 2239!
   (  segid "    " and resid 110  and name HD1#)
   (( segid "    " and resid 96   and name HG1 ))
      2.400     2.400     3.600 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.20497E-02 ppm1      1.021 ppm2      3.297 CV     1
 ASSI ! 2240!
   (  segid "    " and resid 110  and name HG2#)
   (( segid "    " and resid 96   and name HG1 ))
      2.900     2.900     3.100 peak  2240 spectrum    1 weight  0.10000E+01 volume  0.75563E-03 ppm1      0.808 ppm2      3.303 CV     1
 ASSI ! 2241!
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 96   and name HG2#)
      4.000     2.000     2.000 peak  2241 spectrum    1 weight  0.10000E+01 volume  0.14326E-02 ppm1      1.237 ppm2      0.640 CV     1
 ASSI ! 2242!
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 96   and name HG2#)
      2.600     0.800     0.800 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.19201E-02 ppm1      0.859 ppm2      0.643 CV     1
 ASSI ! 2243!
   (( segid "    " and resid 62   and name HG1 ))
   (  segid "    " and resid 96   and name HG2#)
      3.500     1.600     1.600 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.83662E-03 ppm1      2.424 ppm2      0.631 CV     1
 ASSI ! 2244!
   (( segid "    " and resid 62   and name HG2 ))
   (  segid "    " and resid 96   and name HG2#)
      4.100     2.100     1.900 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.14181E-02 ppm1      2.100 ppm2      0.634 CV     1
 ASSI ! 2245!
   (  segid "    " and resid 93   and name HE# )
   (  segid "    " and resid 96   and name HG2#)
      4.000     2.000     2.000 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.16084E-02 ppm1      1.875 ppm2      0.652 CV     1
 ASSI ! 2256!
   (  segid "    " and resid 109  and name HG1#)
   (( segid "    " and resid 96   and name HN  ))
      3.200     1.300     1.300 peak  2256 spectrum    1 weight  0.10000E+01 volume  0.13104E-02 ppm1      0.318 ppm2      8.732 CV     1
 ASSI ! 2258!
   (  segid "    " and resid 110  and name HG2#)
   (( segid "    " and resid 96   and name HN  ))
      4.100     2.100     1.900 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.66596E-03 ppm1      0.808 ppm2      8.726 CV     1
 ASSI ! 2259!
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 96   and name HN  ))
      3.800     1.800     1.800 peak  2259 spectrum    1 weight  0.10000E+01 volume  0.83961E-03 ppm1      4.768 ppm2      8.726 CV     1
 ASSI ! 2262!
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HA  ))
      3.400     1.400     1.400 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.97251E-03 ppm1      2.581 ppm2      5.030 CV     1
 ASSI ! 2263!
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 97   and name HA  ))
      2.700     0.900     0.900 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.20401E-02 ppm1      5.216 ppm2      5.036 CV     1
 ASSI ! 2264!
   (( segid "    " and resid 109  and name HB  ))
   (( segid "    " and resid 97   and name HA  ))
      5.000     3.100     1.000 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.66646E-03 ppm1      1.465 ppm2      5.027 CV     1
 ASSI ! 2265!
   (  segid "    " and resid 109  and name HG1#)
   (( segid "    " and resid 97   and name HA  ))
      3.100     1.200     1.200 peak  2265 spectrum    1 weight  0.10000E+01 volume  0.13079E-02 ppm1      0.318 ppm2      5.027 CV     1
 ASSI ! 2266!
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 97   and name HB1 ))
      5.600     3.900     0.400 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.71700E-03 ppm1      1.776 ppm2      2.733 CV     1
 ASSI ! 2267!
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 97   and name HB1 ))
      2.700     0.900     0.900 peak  2267 spectrum    1 weight  0.10000E+01 volume  0.16770E-02 ppm1      5.023 ppm2      2.742 CV     1
 ASSI ! 2268!
   (( segid "    " and resid 63   and name HB  ))
   (( segid "    " and resid 97   and name HB2 ))
      4.300     2.300     1.700 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.10725E-02 ppm1      1.776 ppm2      2.589 CV     1
 ASSI ! 2269!
   (  segid "    " and resid 63   and name HG2#)
   (( segid "    " and resid 97   and name HB2 ))
      5.600     3.900     0.400 peak  2269 spectrum    1 weight  0.10000E+01 volume  0.48156E-03 ppm1      0.247 ppm2      2.589 CV     1
 ASSI ! 2271!
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 97   and name HB2 ))
      4.900     3.000     1.100 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.50353E-03 ppm1      3.986 ppm2      2.586 CV     1
 ASSI ! 2272!
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 97   and name HB2 ))
      4.800     2.800     1.200 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.58211E-03 ppm1      2.775 ppm2      2.598 CV     1
 ASSI ! 2273!
   (( segid "    " and resid 63   and name HB  ))
   (  segid "    " and resid 97   and name HD# )
      5.400     3.600     0.600 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.59968E-03 ppm1      1.776 ppm2      6.885 CV     1
 ASSI ! 2274!
   (( segid "    " and resid 95   and name HG2 ))
   (  segid "    " and resid 97   and name HD# )
      3.700     1.700     1.700 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.90776E-03 ppm1      0.064 ppm2      6.879 CV     1
 ASSI ! 2275!
   (( segid "    " and resid 97   and name HB1 ))
   (  segid "    " and resid 97   and name HD# )
      2.800     1.000     1.000 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.17473E-02 ppm1      2.725 ppm2      6.885 CV     1
 ASSI ! 2276!
   (( segid "    " and resid 97   and name HB2 ))
   (  segid "    " and resid 97   and name HD# )
      2.600     0.900     0.900 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.31169E-02 ppm1      2.584 ppm2      6.888 CV     1
 ASSI ! 2277!
   (( segid "    " and resid 106  and name HB1 ))
   (  segid "    " and resid 97   and name HD# )
      3.900     1.900     1.900 peak  2277 spectrum    1 weight  0.10000E+01 volume  0.35718E-03 ppm1      3.992 ppm2      6.873 CV     1
 ASSI ! 2278!
   (( segid "    " and resid 106  and name HB2 ))
   (  segid "    " and resid 97   and name HD# )
      3.700     1.700     1.700 peak  2278 spectrum    1 weight  0.10000E+01 volume  0.51225E-03 ppm1      2.775 ppm2      6.870 CV     1
 ASSI ! 2279!
   (( segid "    " and resid 109  and name HB  ))
   (  segid "    " and resid 97   and name HD# )
      4.700     2.800     1.300 peak  2279 spectrum    1 weight  0.10000E+01 volume  0.11637E-02 ppm1      1.462 ppm2      6.873 CV     1
 ASSI ! 2280!
   (  segid "    " and resid 109  and name HG1#)
   (  segid "    " and resid 97   and name HD# )
      3.200     1.300     1.300 peak  2280 spectrum    1 weight  0.10000E+01 volume  0.19960E-02 ppm1      0.321 ppm2      6.882 CV     1
 ASSI ! 2281!
   (  segid "    " and resid 109  and name HG2#)
   (  segid "    " and resid 97   and name HD# )
      3.600     1.700     1.700 peak  2281 spectrum    1 weight  0.10000E+01 volume  0.49053E-03 ppm1      0.325 ppm2      6.885 CV     1
 ASSI ! 2282!
   (  segid "    " and resid 65   and name HD1#)
   (  segid "    " and resid 97   and name HE# )
      2.800     0.900     0.900 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.33804E-02 ppm1      1.141 ppm2      6.382 CV     1
 ASSI ! 2283!
   (( segid "    " and resid 95   and name HB1 ))
   (  segid "    " and resid 97   and name HE# )
      3.300     1.300     1.300 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.99535E-03 ppm1      0.937 ppm2      6.388 CV     1
 ASSI ! 2284!
   (( segid "    " and resid 95   and name HB2 ))
   (  segid "    " and resid 97   and name HE# )
      4.500     2.500     1.500 peak  2284 spectrum    1 weight  0.10000E+01 volume  0.50519E-03 ppm1      0.832 ppm2      6.385 CV     1
 ASSI ! 2285!
   (( segid "    " and resid 95   and name HD1 ))
   (  segid "    " and resid 97   and name HE# )
      4.600     2.600     1.400 peak  2285 spectrum    1 weight  0.10000E+01 volume  0.39823E-03 ppm1      1.204 ppm2      6.382 CV     1
 ASSI ! 2286!
   (( segid "    " and resid 95   and name HD2 ))
   (  segid "    " and resid 97   and name HE# )
      3.700     1.700     1.700 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.63373E-03 ppm1      1.033 ppm2      6.382 CV     1
 ASSI ! 2287!
   (( segid "    " and resid 95   and name HG2 ))
   (  segid "    " and resid 97   and name HE# )
      4.700     2.700     1.300 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.16940E-03 ppm1      0.073 ppm2      6.397 CV     1
 ASSI ! 2288!
   (( segid "    " and resid 97   and name HB1 ))
   (  segid "    " and resid 97   and name HE# )
      5.000     3.200     1.000 peak  2288 spectrum    1 weight  0.10000E+01 volume  0.50515E-03 ppm1      2.716 ppm2      6.403 CV     1
 ASSI ! 2289!
   (( segid "    " and resid 97   and name HB2 ))
   (  segid "    " and resid 97   and name HE# )
      4.900     3.100     1.100 peak  2289 spectrum    1 weight  0.10000E+01 volume  0.51657E-03 ppm1      2.590 ppm2      6.400 CV     1
 ASSI ! 2290!
   (( segid "    " and resid 109  and name HB  ))
   (  segid "    " and resid 97   and name HE# )
      4.800     2.800     1.200 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.70795E-03 ppm1      1.459 ppm2      6.394 CV     1
 ASSI ! 2291!
   (  segid "    " and resid 109  and name HG1#)
   (  segid "    " and resid 97   and name HE# )
      3.200     1.300     1.300 peak  2291 spectrum    1 weight  0.10000E+01 volume  0.20504E-02 ppm1      0.321 ppm2      6.388 CV     1
 ASSI ! 2292!
   (  segid "    " and resid 109  and name HG2#)
   (  segid "    " and resid 97   and name HE# )
      3.700     1.700     1.700 peak  2292 spectrum    1 weight  0.10000E+01 volume  0.74861E-03 ppm1      0.325 ppm2      6.385 CV     1
 ASSI ! 2295!
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 97   and name HN  ))
      3.800     1.800     1.800 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.12156E-02 ppm1      4.303 ppm2      8.973 CV     1
 ASSI ! 2297!
   (  segid "    " and resid 96   and name HG2#)
   (( segid "    " and resid 97   and name HN  ))
      2.600     0.900     0.900 peak  2297 spectrum    1 weight  0.10000E+01 volume  0.45689E-02 ppm1      0.642 ppm2      8.969 CV     1
 ASSI ! 2300!
   (( segid "    " and resid 97   and name HB2 ))
   (( segid "    " and resid 97   and name HN  ))
      2.500     0.800     0.800 peak  2300 spectrum    1 weight  0.10000E+01 volume  0.22334E-02 ppm1      2.581 ppm2      8.969 CV     1
 ASSI ! 2301!
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 98   and name HA  ))
      2.400     0.700     0.700 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.29134E-02 ppm1      5.635 ppm2      5.176 CV     1
 ASSI ! 2302!
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 98   and name HA  ))
      3.400     1.400     1.400 peak  2302 spectrum    1 weight  0.10000E+01 volume  0.76593E-03 ppm1      1.249 ppm2      5.173 CV     1
 ASSI ! 2303!
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 98   and name HA  ))
      3.800     1.800     1.800 peak  2303 spectrum    1 weight  0.10000E+01 volume  0.54801E-03 ppm1      0.853 ppm2      5.173 CV     1
 ASSI ! 2307!
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB1 ))
      2.800     1.000     1.000 peak  2307 spectrum    1 weight  0.10000E+01 volume  0.93530E-03 ppm1      5.182 ppm2      2.769 CV     1
 ASSI ! 2308!
   (( segid "    " and resid 98   and name HB2 ))
   (( segid "    " and resid 98   and name HB1 ))
      1.800     0.400     0.400 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.46586E-02 ppm1      2.572 ppm2      2.757 CV     1
 ASSI ! 2309!
   (( segid "    " and resid 108 and name HB2 ) or ( segid "    " and resid 108 and name HB1 ))
   (( segid "    " and resid 98   and name HB1 ))
      3.700     1.700     1.700 peak  2309 spectrum    1 weight  0.10000E+01 volume  0.17219E-02 ppm1      2.207 ppm2      2.769 CV     1
 ASSI ! 2310!
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HB2 ))
      3.100     1.200     1.200 peak  2310 spectrum    1 weight  0.10000E+01 volume  0.13467E-02 ppm1      5.179 ppm2      2.559 CV     1
 ASSI ! 2311!
   (( segid "    " and resid 108 and name HB2 ) or ( segid "    " and resid 108 and name HB1 ))
   (( segid "    " and resid 98   and name HB2 ))
      2.800     1.000     1.000 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.13499E-02 ppm1      2.216 ppm2      2.562 CV     1
 ASSI ! 2312!
   (  segid "    " and resid 49   and name HD1#)
   (  segid "    " and resid 98   and name HD# )
      2.800     1.000     1.000 peak  2312 spectrum    1 weight  0.10000E+01 volume  0.23086E-02 ppm1      0.597 ppm2      6.903 CV     1
 ASSI ! 2313!
   (  segid "    " and resid 49   and name HD2#)
   (  segid "    " and resid 98   and name HD# )
      3.000     1.100     1.100 peak  2313 spectrum    1 weight  0.10000E+01 volume  0.17702E-02 ppm1     -1.144 ppm2      6.909 CV     1
 ASSI ! 2314!
   (( segid "    " and resid 59   and name HB1 ))
   (  segid "    " and resid 98   and name HD# )
      4.200     2.200     1.800 peak  2314 spectrum    1 weight  0.10000E+01 volume  0.46183E-03 ppm1      2.985 ppm2      6.903 CV     1
 ASSI ! 2315!
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 98   and name HD# )
      4.800     2.900     1.200 peak  2315 spectrum    1 weight  0.10000E+01 volume  0.58925E-03 ppm1      2.799 ppm2      6.900 CV     1
 ASSI ! 2316!
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 98   and name HD# )
      3.000     1.200     1.200 peak  2316 spectrum    1 weight  0.10000E+01 volume  0.81211E-03 ppm1      1.240 ppm2      6.900 CV     1
 ASSI ! 2317!
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 98   and name HD# )
      4.500     2.600     1.500 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.35161E-03 ppm1      0.853 ppm2      6.906 CV     1
 ASSI ! 2318!
   (  segid "    " and resid 76   and name HD1#)
   (  segid "    " and resid 98   and name HD# )
      2.300     0.700     0.700 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.43679E-02 ppm1      0.928 ppm2      6.906 CV     1
 ASSI ! 2319!
   (  segid "    " and resid 96   and name HG2#)
   (  segid "    " and resid 98   and name HD# )
      3.400     1.400     1.400 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.13970E-02 ppm1      0.645 ppm2      6.903 CV     1
 ASSI ! 2320!
   (( segid "    " and resid 97   and name HA  ))
   (  segid "    " and resid 98   and name HD# )
      3.000     1.100     1.100 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.18166E-02 ppm1      5.023 ppm2      6.891 CV     1
 ASSI ! 2321!
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 98   and name HD# )
      3.400     1.400     1.400 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.96017E-03 ppm1      5.172 ppm2      6.897 CV     1
 ASSI ! 2322!
   (( segid "    " and resid 98   and name HB1 ))
   (  segid "    " and resid 98   and name HD# )
      2.500     0.800     0.800 peak  2322 spectrum    1 weight  0.10000E+01 volume  0.18963E-02 ppm1      2.770 ppm2      6.894 CV     1
 ASSI ! 2323!
   (( segid "    " and resid 98   and name HB2 ))
   (  segid "    " and resid 98   and name HD# )
      2.600     0.900     0.900 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.25934E-02 ppm1      2.566 ppm2      6.894 CV     1
 ASSI ! 2324!
   (( segid "    " and resid 108 and name HB2 ) or ( segid "    " and resid 108 and name HB1 ))
   (  segid "    " and resid 98   and name HD# )
      4.400     2.400     1.600 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.58664E-03 ppm1      2.207 ppm2      6.897 CV     1
 ASSI ! 2326!
   (  segid "    " and resid 110  and name HD1#)
   (  segid "    " and resid 98   and name HD# )
      2.500     2.500     3.500 peak  2326 spectrum    1 weight  0.10000E+01 volume  0.15190E-02 ppm1      1.024 ppm2      6.906 CV     1
 ASSI ! 2327!
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 98   and name HE# )
      6.000     4.500     0.000 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.32598E-03 ppm1      3.412 ppm2      7.009 CV     1
 ASSI ! 2328!
   (( segid "    " and resid 49   and name HB1 ))
   (  segid "    " and resid 98   and name HE# )
      6.000     4.700     0.000 peak  2328 spectrum    1 weight  0.10000E+01 volume  0.31268E-03 ppm1      1.611 ppm2      7.002 CV     1
 ASSI ! 2329!
   (( segid "    " and resid 49   and name HB2 ))
   (  segid "    " and resid 98   and name HE# )
      5.200     3.400     0.800 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.63257E-03 ppm1      1.048 ppm2      7.005 CV     1
 ASSI ! 2330!
   (( segid "    " and resid 62   and name HB1 ))
   (  segid "    " and resid 98   and name HE# )
      3.100     1.200     1.200 peak  2330 spectrum    1 weight  0.10000E+01 volume  0.10603E-02 ppm1      1.237 ppm2      7.005 CV     1
 ASSI ! 2331!
   (( segid "    " and resid 62   and name HB2 ))
   (  segid "    " and resid 98   and name HE# )
      3.700     1.700     1.700 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.68444E-03 ppm1      0.853 ppm2      7.008 CV     1
 ASSI ! 2332!
   (  segid "    " and resid 62   and name HE# )
   (  segid "    " and resid 98   and name HE# )
      3.800     1.800     1.800 peak  2332 spectrum    1 weight  0.10000E+01 volume  0.87321E-03 ppm1      2.003 ppm2      7.008 CV     1
 ASSI ! 2333!
   (  segid "    " and resid 76   and name HD1#)
   (  segid "    " and resid 98   and name HE# )
      2.700     0.900     0.900 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.26987E-02 ppm1      0.925 ppm2      7.005 CV     1
 ASSI ! 2334!
   (  segid "    " and resid 76   and name HD2#)
   (  segid "    " and resid 98   and name HE# )
      3.400     1.400     1.400 peak  2334 spectrum    1 weight  0.10000E+01 volume  0.99668E-03 ppm1      0.923 ppm2      7.005 CV     1
 ASSI ! 2335!
   (( segid "    " and resid 96   and name HB  ))
   (  segid "    " and resid 98   and name HE# )
      3.200     1.300     1.300 peak  2335 spectrum    1 weight  0.10000E+01 volume  0.79654E-03 ppm1      3.668 ppm2      7.008 CV     1
 ASSI ! 2336!
   (  segid "    " and resid 96   and name HG2#)
   (  segid "    " and resid 98   and name HE# )
      2.600     0.800     0.800 peak  2336 spectrum    1 weight  0.10000E+01 volume  0.46545E-02 ppm1      0.645 ppm2      7.008 CV     1
 ASSI ! 2337!
   (( segid "    " and resid 98   and name HB1 ))
   (  segid "    " and resid 98   and name HE# )
      4.600     2.700     1.400 peak  2337 spectrum    1 weight  0.10000E+01 volume  0.50669E-03 ppm1      2.770 ppm2      6.996 CV     1
 ASSI ! 2338!
   (( segid "    " and resid 98   and name HB2 ))
   (  segid "    " and resid 98   and name HE# )
      4.500     2.500     1.500 peak  2338 spectrum    1 weight  0.10000E+01 volume  0.64399E-03 ppm1      2.572 ppm2      7.005 CV     1
 ASSI ! 2339!
   (( segid "    " and resid 110  and name HB  ))
   (  segid "    " and resid 98   and name HE# )
      2.200     0.600     0.600 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.35060E-02 ppm1      1.453 ppm2      7.002 CV     1
 ASSI ! 2340!
   (  segid "    " and resid 110  and name HD1#)
   (  segid "    " and resid 98   and name HE# )
      2.300     0.700     0.700 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.88081E-02 ppm1      1.024 ppm2      7.008 CV     1
 ASSI ! 2341!
   (( segid "    " and resid 110  and name HG11))
   (  segid "    " and resid 98   and name HE# )
      2.700     0.900     0.900 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.14122E-02 ppm1      1.698 ppm2      7.008 CV     1
 ASSI ! 2342!
   (( segid "    " and resid 110  and name HG12))
   (  segid "    " and resid 98   and name HE# )
      4.800     2.900     1.200 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.67269E-03 ppm1      0.910 ppm2      7.005 CV     1
 ASSI ! 2344!
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      2.800     1.000     1.000 peak  2344 spectrum    1 weight  0.10000E+01 volume  0.18110E-02 ppm1      5.170 ppm2      9.184 CV     1
 ASSI ! 2348!
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 98   and name HN  ))
      4.100     2.100     1.900 peak  2348 spectrum    1 weight  0.10000E+01 volume  0.33527E-03 ppm1      2.766 ppm2      9.185 CV     1
 ASSI ! 2349!
   (( segid "    " and resid 108 and name HB2 ) or ( segid "    " and resid 108 and name HB1 ))
   (( segid "    " and resid 98   and name HN  ))
      4.400     2.400     1.600 peak  2349 spectrum    1 weight  0.10000E+01 volume  0.53161E-03 ppm1      2.216 ppm2      9.191 CV     1
 ASSI ! 2350!
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 98   and name HN  ))
      3.600     1.600     1.600 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.79616E-03 ppm1      5.211 ppm2      9.186 CV     1
 ASSI ! 2351!
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 98   and name HZ  ))
      2.900     1.000     1.000 peak  2351 spectrum    1 weight  0.10000E+01 volume  0.64677E-03 ppm1      1.923 ppm2      6.999 CV     1
 ASSI ! 2352!
   (  segid "    " and resid 45   and name HD1#)
   (( segid "    " and resid 98   and name HZ  ))
      3.300     1.400     1.400 peak  2352 spectrum    1 weight  0.10000E+01 volume  0.13148E-02 ppm1      0.943 ppm2      7.005 CV     1
 ASSI ! 2353!
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 98   and name HZ  ))
      4.800     2.900     1.200 peak  2353 spectrum    1 weight  0.10000E+01 volume  0.34219E-03 ppm1      3.874 ppm2      7.003 CV     1
 ASSI ! 2355!
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 99   and name HA  ))
      2.900     1.000     1.000 peak  2355 spectrum    1 weight  0.10000E+01 volume  0.18604E-02 ppm1      3.374 ppm2      4.889 CV     1
 ASSI ! 2356!
   (( segid "    " and resid 61   and name HE1 ))
   (( segid "    " and resid 99   and name HB1 ))
      4.500     2.500     1.500 peak  2356 spectrum    1 weight  0.10000E+01 volume  0.91582E-03 ppm1      2.262 ppm2      3.219 CV     1
 ASSI ! 2358!
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 99   and name HB1 ))
      5.200     3.400     0.800 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.46607E-03 ppm1      0.739 ppm2      3.225 CV     1
 ASSI ! 2359!
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HB1 ))
      2.900     1.100     1.100 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.13664E-02 ppm1      4.900 ppm2      3.219 CV     1
 ASSI ! 2361!
   (( segid "    " and resid 61   and name HE1 ))
   (( segid "    " and resid 99   and name HB2 ))
      3.700     1.700     1.700 peak  2361 spectrum    1 weight  0.10000E+01 volume  0.96408E-03 ppm1      2.259 ppm2      2.979 CV     1
 ASSI ! 2362!
   (( segid "    " and resid 61   and name HE2 ))
   (( segid "    " and resid 99   and name HB2 ))
      4.800     2.800     1.200 peak  2362 spectrum    1 weight  0.10000E+01 volume  0.49772E-03 ppm1      2.091 ppm2      2.976 CV     1
 ASSI ! 2363!
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 99   and name HB2 ))
      2.700     0.900     0.900 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.13067E-02 ppm1      1.141 ppm2      2.979 CV     1
 ASSI ! 2364!
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 99   and name HB2 ))
      3.600     1.600     1.600 peak  2364 spectrum    1 weight  0.10000E+01 volume  0.92715E-03 ppm1      0.739 ppm2      2.976 CV     1
 ASSI ! 2365!
   (( segid "    " and resid 99   and name HA  ))
   (( segid "    " and resid 99   and name HB2 ))
      3.600     1.600     1.600 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.10451E-02 ppm1      4.891 ppm2      2.964 CV     1
 ASSI ! 2366!
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 99   and name HB2 ))
      1.900     0.400     0.400 peak  2366 spectrum    1 weight  0.10000E+01 volume  0.62850E-02 ppm1      3.217 ppm2      2.973 CV     1
 ASSI ! 2367!
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 99   and name HD# )
      5.200     3.300     0.800 peak  2367 spectrum    1 weight  0.10000E+01 volume  0.56836E-03 ppm1      1.267 ppm2      7.026 CV     1
 ASSI ! 2368!
   (( segid "    " and resid 61   and name HB2 ))
   (  segid "    " and resid 99   and name HD# )
      5.600     3.900     0.400 peak  2368 spectrum    1 weight  0.10000E+01 volume  0.28917E-03 ppm1      1.102 ppm2      7.026 CV     1
 ASSI ! 2369!
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 99   and name HD# )
      4.800     2.900     1.200 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.51582E-03 ppm1      0.985 ppm2      7.023 CV     1
 ASSI ! 2370!
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 99   and name HD# )
      4.100     2.100     1.900 peak  2370 spectrum    1 weight  0.10000E+01 volume  0.24593E-03 ppm1      0.877 ppm2      7.026 CV     1
 ASSI ! 2371!
   (( segid "    " and resid 61   and name HE1 ))
   (  segid "    " and resid 99   and name HD# )
      3.800     1.800     1.800 peak  2371 spectrum    1 weight  0.10000E+01 volume  0.74018E-03 ppm1      2.259 ppm2      7.026 CV     1
 ASSI ! 2372!
   (( segid "    " and resid 61   and name HE2 ))
   (  segid "    " and resid 99   and name HD# )
      4.600     2.600     1.400 peak  2372 spectrum    1 weight  0.10000E+01 volume  0.65529E-03 ppm1      2.097 ppm2      7.020 CV     1
 ASSI ! 2373!
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 99   and name HD# )
      3.100     1.200     1.200 peak  2373 spectrum    1 weight  0.10000E+01 volume  0.11516E-02 ppm1      1.141 ppm2      7.014 CV     1
 ASSI ! 2374!
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 99   and name HD# )
      3.900     1.900     1.900 peak  2374 spectrum    1 weight  0.10000E+01 volume  0.14851E-02 ppm1      0.739 ppm2      7.023 CV     1
 ASSI ! 2375!
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 99   and name HD# )
      3.000     1.100     1.100 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.16861E-02 ppm1      5.632 ppm2      7.017 CV     1
 ASSI ! 2376!
   (( segid "    " and resid 63   and name HB  ))
   (  segid "    " and resid 99   and name HD# )
      4.000     2.000     2.000 peak  2376 spectrum    1 weight  0.10000E+01 volume  0.60233E-03 ppm1      1.776 ppm2      7.020 CV     1
 ASSI ! 2377!
   (  segid "    " and resid 63   and name HG1#)
   (  segid "    " and resid 99   and name HD# )
      3.700     1.700     1.700 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.19901E-02 ppm1      0.759 ppm2      7.026 CV     1
 ASSI ! 2378!
   (  segid "    " and resid 63   and name HG2#)
   (  segid "    " and resid 99   and name HD# )
      5.400     3.600     0.600 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.42769E-03 ppm1      0.252 ppm2      7.026 CV     1
 ASSI ! 2379!
   (( segid "    " and resid 98   and name HA  ))
   (  segid "    " and resid 99   and name HD# )
      3.400     1.500     1.500 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.18012E-02 ppm1      5.172 ppm2      7.023 CV     1
 ASSI ! 2380!
   (( segid "    " and resid 99   and name HA  ))
   (  segid "    " and resid 99   and name HD# )
      3.400     1.400     1.400 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.11969E-02 ppm1      4.885 ppm2      7.017 CV     1
 ASSI ! 2381!
   (( segid "    " and resid 99   and name HB1 ))
   (  segid "    " and resid 99   and name HD# )
      2.700     0.900     0.900 peak  2381 spectrum    1 weight  0.10000E+01 volume  0.31792E-02 ppm1      3.217 ppm2      7.023 CV     1
 ASSI ! 2382!
   (( segid "    " and resid 99   and name HB2 ))
   (  segid "    " and resid 99   and name HD# )
      2.800     1.000     1.000 peak  2382 spectrum    1 weight  0.10000E+01 volume  0.25773E-02 ppm1      2.980 ppm2      7.023 CV     1
 ASSI ! 2383!
   (( segid "    " and resid 103  and name HG1 ) or ( segid "    " and resid 103  and name HG2 ))
   (  segid "    " and resid 99   and name HD# )
      4.700     2.800     1.300 peak  2383 spectrum    1 weight  0.10000E+01 volume  0.40734E-03 ppm1      2.322 ppm2      7.020 CV     1
 ASSI ! 2384!
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 99   and name HD# )
      3.400     1.500     1.500 peak  2384 spectrum    1 weight  0.10000E+01 volume  0.10002E-02 ppm1      4.590 ppm2      7.021 CV     1
 ASSI ! 2385!
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 99   and name HD# )
      4.100     2.100     1.900 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.49917E-03 ppm1      5.598 ppm2      7.023 CV     1
 ASSI ! 2386!
   (( segid "    " and resid 106  and name HA  ))
   (  segid "    " and resid 99   and name HD# )
      3.700     1.700     1.700 peak  2386 spectrum    1 weight  0.10000E+01 volume  0.47458E-03 ppm1      3.368 ppm2      7.020 CV     1
 ASSI ! 2387!
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 99   and name HE# )
      4.600     2.700     1.400 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.52039E-03 ppm1      5.632 ppm2      7.260 CV     1
 ASSI ! 2388!
   (( segid "    " and resid 63   and name HB  ))
   (  segid "    " and resid 99   and name HE# )
      3.000     1.100     1.100 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.22911E-02 ppm1      1.776 ppm2      7.263 CV     1
 ASSI ! 2389!
   (  segid "    " and resid 63   and name HG1#)
   (  segid "    " and resid 99   and name HE# )
      2.500     0.800     0.800 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.47662E-02 ppm1      0.756 ppm2      7.263 CV     1
 ASSI ! 2390!
   (  segid "    " and resid 63   and name HG2#)
   (  segid "    " and resid 99   and name HE# )
      4.800     2.900     1.200 peak  2390 spectrum    1 weight  0.10000E+01 volume  0.68893E-03 ppm1      0.252 ppm2      7.263 CV     1
 ASSI ! 2391!
   (( segid "    " and resid 99   and name HB1 ))
   (  segid "    " and resid 99   and name HE# )
      5.200     3.400     0.800 peak  2391 spectrum    1 weight  0.10000E+01 volume  0.43878E-03 ppm1      3.208 ppm2      7.257 CV     1
 ASSI ! 2392!
   (( segid "    " and resid 99   and name HB2 ))
   (  segid "    " and resid 99   and name HE# )
      5.200     3.300     0.800 peak  2392 spectrum    1 weight  0.10000E+01 volume  0.45922E-03 ppm1      2.968 ppm2      7.263 CV     1
 ASSI ! 2393!
   (( segid "    " and resid 104  and name HA  ))
   (  segid "    " and resid 99   and name HE# )
      4.300     2.300     1.700 peak  2393 spectrum    1 weight  0.10000E+01 volume  0.43787E-03 ppm1      4.603 ppm2      7.272 CV     1
 ASSI ! 2394!
   (( segid "    " and resid 105  and name HA  ))
   (  segid "    " and resid 99   and name HE# )
      3.100     1.200     1.200 peak  2394 spectrum    1 weight  0.10000E+01 volume  0.16767E-02 ppm1      5.585 ppm2      7.262 CV     1
 ASSI ! 2395!
   (( segid "    " and resid 105  and name HB2 ) or ( segid "    " and resid 105  and name HB1 ))
   (  segid "    " and resid 99   and name HE# )
      4.800     2.900     1.200 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.64042E-03 ppm1      1.806 ppm2      7.263 CV     1
 ASSI ! 2396!
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 99   and name HN  ))
      3.700     1.800     1.800 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.44244E-03 ppm1      1.147 ppm2      8.981 CV     1
 ASSI ! 2398!
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
      3.100     1.200     1.200 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.16024E-02 ppm1      5.632 ppm2      8.978 CV     1
 ASSI ! 2400!
   (( segid "    " and resid 98   and name HA  ))
   (( segid "    " and resid 99   and name HN  ))
      2.200     0.600     0.600 peak  2400 spectrum    1 weight  0.10000E+01 volume  0.50420E-02 ppm1      5.176 ppm2      8.972 CV     1
 ASSI ! 2403!
   (( segid "    " and resid 99   and name HB2 ))
   (( segid "    " and resid 99   and name HN  ))
      2.700     0.900     0.900 peak  2403 spectrum    1 weight  0.10000E+01 volume  0.20113E-02 ppm1      2.977 ppm2      8.972 CV     1
 ASSI ! 2404!
   (  segid "    " and resid 63   and name HG1#)
   (( segid "    " and resid 99   and name HZ  ))
      3.900     1.900     1.900 peak  2404 spectrum    1 weight  0.10000E+01 volume  0.16368E-02 ppm1      0.753 ppm2      6.888 CV     1
 ASSI ! 2405!
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 100  and name HA  ))
      1.700     0.400     0.500 peak  2405 spectrum    1 weight  0.10000E+01 volume  0.54685E-02 ppm1      4.621 ppm2      4.535 CV     1
 ASSI ! 2408!
   (( segid "    " and resid 100  and name HG1 ))
   (( segid "    " and resid 100  and name HA  ))
      3.000     1.100     1.100 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.68777E-03 ppm1      1.342 ppm2      4.538 CV     1
 ASSI ! 2409!
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 100  and name HA  ))
      3.800     1.800     1.800 peak  2409 spectrum    1 weight  0.10000E+01 volume  0.15453E-02 ppm1      0.472 ppm2      4.535 CV     1
 ASSI ! 2410!
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB1 ))
      2.400     0.700     0.700 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.28605E-02 ppm1      4.532 ppm2      1.885 CV     1
 ASSI ! 2412!
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HB1 ))
      1.700     0.400     0.500 peak  2412 spectrum    1 weight  0.10000E+01 volume  0.70691E-02 ppm1      1.492 ppm2      1.885 CV     1
 ASSI ! 2413!
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 100  and name HB1 ))
      2.600     0.800     0.800 peak  2413 spectrum    1 weight  0.10000E+01 volume  0.16197E-02 ppm1      0.475 ppm2      1.885 CV     1
 ASSI ! 2415!
   (( segid "    " and resid 103  and name HG2 ) or ( segid "    " and resid 103  and name HG1 ))
   (( segid "    " and resid 100  and name HB1 ))
      4.200     2.200     1.800 peak  2415 spectrum    1 weight  0.10000E+01 volume  0.10477E-02 ppm1      2.319 ppm2      1.882 CV     1
 ASSI ! 2416!
   (( segid "    " and resid 100  and name HA  ))
   (( segid "    " and resid 100  and name HB2 ))
      3.100     1.200     1.200 peak  2416 spectrum    1 weight  0.10000E+01 volume  0.18091E-02 ppm1      4.535 ppm2      1.483 CV     1
 ASSI ! 2418!
   (( segid "    " and resid 103  and name HB2 ) or ( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 100  and name HB2 ))
      3.300     1.400     1.400 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.71954E-03 ppm1      2.334 ppm2      1.492 CV     1
 ASSI ! 2419!
   (( segid "    " and resid 103  and name HG1 ) or ( segid "    " and resid 103  and name HG2 ))
   (( segid "    " and resid 100  and name HB2 ))
      3.300     1.400     1.400 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.91756E-03 ppm1      2.316 ppm2      1.501 CV     1
 ASSI ! 2420!
   (( segid "    " and resid 100  and name HE1 ))
   (( segid "    " and resid 100  and name HD1 ))
      2.600     0.800     0.800 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.30640E-02 ppm1      3.059 ppm2      1.657 CV     1
 ASSI ! 2421!
   (( segid "    " and resid 100  and name HE2 ))
   (( segid "    " and resid 100  and name HD1 ))
      3.000     1.100     1.100 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.19818E-02 ppm1      2.727 ppm2      1.657 CV     1
 ASSI ! 2422!
   (( segid "    " and resid 100  and name HG1 ))
   (( segid "    " and resid 100  and name HD1 ))
      2.600     0.800     0.800 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.65961E-02 ppm1      1.339 ppm2      1.648 CV     1
 ASSI ! 2423!
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 100  and name HD1 ))
      2.800     1.000     1.000 peak  2423 spectrum    1 weight  0.10000E+01 volume  0.14000E-02 ppm1      0.472 ppm2      1.654 CV     1
 ASSI ! 2424!
   (( segid "    " and resid 100  and name HE2 ))
   (( segid "    " and resid 100  and name HD2 ))
      2.600     0.800     0.800 peak  2424 spectrum    1 weight  0.10000E+01 volume  0.27825E-02 ppm1      2.724 ppm2      1.513 CV     1
 ASSI ! 2425!
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 100  and name HD2 ))
      2.900     1.000     1.000 peak  2425 spectrum    1 weight  0.10000E+01 volume  0.32729E-02 ppm1      0.475 ppm2      1.513 CV     1
 ASSI ! 2427!
   (( segid "    " and resid 100  and name HD2 ))
   (( segid "    " and resid 100  and name HE1 ))
      2.700     0.900     0.900 peak  2427 spectrum    1 weight  0.10000E+01 volume  0.16449E-02 ppm1      1.522 ppm2      3.057 CV     1
 ASSI ! 2428!
   (( segid "    " and resid 100  and name HE2 ))
   (( segid "    " and resid 100  and name HE1 ))
      1.500     0.300     0.700 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.17151E-01 ppm1      2.727 ppm2      3.066 CV     1
 ASSI ! 2431!
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 100  and name HE1 ))
      4.000     2.000     2.000 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.44032E-03 ppm1      4.229 ppm2      3.069 CV     1
 ASSI ! 2438!
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 100  and name HG1 ))
      2.800     1.000     1.000 peak  2438 spectrum    1 weight  0.10000E+01 volume  0.17472E-02 ppm1      1.881 ppm2      1.345 CV     1
 ASSI ! 2439!
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HG1 ))
      3.100     1.200     1.200 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.21755E-02 ppm1      1.489 ppm2      1.348 CV     1
 ASSI ! 2440!
   (( segid "    " and resid 100  and name HE1 ))
   (( segid "    " and resid 100  and name HG1 ))
      3.300     1.400     1.400 peak  2440 spectrum    1 weight  0.10000E+01 volume  0.15955E-02 ppm1      3.056 ppm2      1.342 CV     1
 ASSI ! 2441!
   (( segid "    " and resid 100  and name HE2 ))
   (( segid "    " and resid 100  and name HG1 ))
      3.000     1.100     1.100 peak  2441 spectrum    1 weight  0.10000E+01 volume  0.11155E-02 ppm1      2.724 ppm2      1.342 CV     1
 ASSI ! 2442!
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 100  and name HG1 ))
      1.800     0.400     0.400 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.50278E-02 ppm1      0.475 ppm2      1.342 CV     1
 ASSI ! 2443!
   (( segid "    " and resid 58   and name HG2 ))
   (( segid "    " and resid 100  and name HG2 ))
      4.400     2.500     1.600 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.65346E-03 ppm1      0.946 ppm2      0.479 CV     1
 ASSI ! 2446!
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 100  and name HG2 ))
      3.200     1.300     1.300 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.90394E-03 ppm1      1.489 ppm2      0.476 CV     1
 ASSI ! 2449!
   (( segid "    " and resid 100  and name HE1 ))
   (( segid "    " and resid 100  and name HG2 ))
      3.800     1.800     1.800 peak  2449 spectrum    1 weight  0.10000E+01 volume  0.10081E-02 ppm1      3.059 ppm2      0.470 CV     1
 ASSI ! 2450!
   (( segid "    " and resid 100  and name HE2 ))
   (( segid "    " and resid 100  and name HG2 ))
      3.000     1.100     1.100 peak  2450 spectrum    1 weight  0.10000E+01 volume  0.15097E-02 ppm1      2.718 ppm2      0.473 CV     1
 ASSI ! 2453!
   (( segid "    " and resid 99   and name HB1 ))
   (( segid "    " and resid 100  and name HN  ))
      3.900     1.900     1.900 peak  2453 spectrum    1 weight  0.10000E+01 volume  0.52920E-03 ppm1      3.223 ppm2      9.479 CV     1
 ASSI ! 2456!
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 100  and name HN  ))
      4.000     2.000     2.000 peak  2456 spectrum    1 weight  0.10000E+01 volume  0.10535E-02 ppm1      1.884 ppm2      9.479 CV     1
 ASSI ! 2458!
   (( segid "    " and resid 100  and name HD1 ))
   (( segid "    " and resid 100  and name HN  ))
      3.900     1.900     1.900 peak  2458 spectrum    1 weight  0.10000E+01 volume  0.52762E-03 ppm1      1.662 ppm2      9.482 CV     1
 ASSI ! 2460!
   (( segid "    " and resid 100  and name HG1 ))
   (( segid "    " and resid 100  and name HN  ))
      3.500     1.500     1.500 peak  2460 spectrum    1 weight  0.10000E+01 volume  0.12345E-02 ppm1      1.342 ppm2      9.479 CV     1
 ASSI ! 2461!
   (( segid "    " and resid 100  and name HG2 ))
   (( segid "    " and resid 100  and name HN  ))
      4.500     2.500     1.500 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.82025E-03 ppm1      0.475 ppm2      9.485 CV     1
 ASSI ! 2462!
   (( segid "    " and resid 103  and name HB2 ) or ( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 100  and name HN  ))
      3.500     1.500     1.500 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.61849E-03 ppm1      2.334 ppm2      9.482 CV     1
 ASSI ! 2463!
   (( segid "    " and resid 103  and name HG1 ) or ( segid "    " and resid 103  and name HG2 ))
   (( segid "    " and resid 100  and name HN  ))
      4.300     2.300     1.700 peak  2463 spectrum    1 weight  0.10000E+01 volume  0.51761E-03 ppm1      2.319 ppm2      9.479 CV     1
  ASSI ! 2466!
   (( segid "    " and resid 60   and name HG1 ))
   (( segid "    " and resid 101  and name HA  ))
      4.400     2.400     1.600 peak  2466 spectrum    1 weight  0.10000E+01 volume  0.58049E-03 ppm1      2.463 ppm2      4.187 CV     1
 ASSI ! 2467!
   (( segid "    " and resid 60   and name HG2 ))
   (( segid "    " and resid 101  and name HA  ))
      4.700     2.800     1.300 peak  2467 spectrum    1 weight  0.10000E+01 volume  0.76477E-03 ppm1      2.286 ppm2      4.190 CV     1
 ASSI ! 2468!
   (( segid "    " and resid 101 and name HB2 ) or ( segid "    " and resid 101 and name HB1 ))
   (( segid "    " and resid 101  and name HA  ))
      2.300     0.600     0.600 peak  2468 spectrum    1 weight  0.10000E+01 volume  0.73034E-02 ppm1      1.818 ppm2      4.190 CV     1
 ASSI ! 2469!
   (( segid "    " and resid 101 and name HD2 ) or ( segid "    " and resid 101 and name HD1 ))
   (( segid "    " and resid 101  and name HA  ))
      3.900     1.900     1.900 peak  2469 spectrum    1 weight  0.10000E+01 volume  0.18261E-02 ppm1      1.692 ppm2      4.190 CV     1
 ASSI ! 2470!
   (( segid "    " and resid 101 and name HG2 ) or ( segid "    " and resid 101 and name HG1 ))
   (( segid "    " and resid 101  and name HA  ))
      2.700     0.900     0.900 peak  2470 spectrum    1 weight  0.10000E+01 volume  0.33215E-02 ppm1      1.408 ppm2      4.187 CV     1
 ASSI ! 2473!
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 101  and name HN  ))
      4.300     2.300     1.700 peak  2473 spectrum    1 weight  0.10000E+01 volume  0.31959E-03 ppm1      4.265 ppm2      8.070 CV     1
 ASSI ! 2476!
   (( segid "    " and resid 60   and name HG1 ))
   (( segid "    " and resid 101  and name HN  ))
      5.200     3.300     0.800 peak  2476 spectrum    1 weight  0.10000E+01 volume  0.48584E-03 ppm1      2.463 ppm2      8.061 CV     1
 ASSI ! 2481!
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 101  and name HN  ))
      2.600     0.800     0.800 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.33228E-02 ppm1      4.192 ppm2      8.058 CV     1
 ASSI ! 2482!
   (( segid "    " and resid 101 and name HB1 ) or ( segid "    " and resid 101 and name HB2 ))
   (( segid "    " and resid 101  and name HN  ))
      2.100     0.500     0.500 peak  2482 spectrum    1 weight  0.10000E+01 volume  0.11130E-01 ppm1      1.803 ppm2      8.067 CV     1
 ASSI ! 2483!
   (( segid "    " and resid 101 and name HG1 ) or ( segid "    " and resid 101 and name HG2 ))
   (( segid "    " and resid 101  and name HN  ))
      4.000     2.000     2.000 peak  2483 spectrum    1 weight  0.10000E+01 volume  0.14800E-02 ppm1      1.409 ppm2      8.070 CV     1
 ASSI ! 2487!
   (( segid "    " and resid 101  and name HA  ))
   (( segid "    " and resid 102  and name HN  ))
      2.000     0.500     0.500 peak  2487 spectrum    1 weight  0.10000E+01 volume  0.85655E-02 ppm1      4.190 ppm2      8.898 CV     1
 ASSI ! 2489!
   (( segid "    " and resid 101 and name HG1 ) or ( segid "    " and resid 101 and name HG2 ))
   (( segid "    " and resid 102  and name HN  ))
      3.200     1.300     1.300 peak  2489 spectrum    1 weight  0.10000E+01 volume  0.19270E-02 ppm1      1.397 ppm2      8.897 CV     1
 ASSI ! 2492!
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB1 ))
      2.500     0.800     0.800 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.47654E-02 ppm1      4.765 ppm2      2.352 CV     1
 ASSI ! 2493!
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HB2 ))
      2.800     1.000     1.000 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.48584E-02 ppm1      4.765 ppm2      2.301 CV     1
 ASSI ! 2496!
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 103  and name HN  ))
      3.000     1.100     1.100 peak  2496 spectrum    1 weight  0.10000E+01 volume  0.21518E-02 ppm1      4.768 ppm2      8.049 CV     1
 ASSI ! 2497!
   (( segid "    " and resid 103  and name HB2 ) or ( segid "    " and resid 103  and name HB1 ))
   (( segid "    " and resid 103  and name HN  ))
      2.900     1.000     1.000 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.28536E-02 ppm1      2.334 ppm2      8.046 CV     1
 ASSI ! 2498!
   (( segid "    " and resid 103  and name HG2 ) or ( segid "    " and resid 103  and name HG1 ))
   (( segid "    " and resid 103  and name HN  ))
      3.100     1.200     1.200 peak  2498 spectrum    1 weight  0.10000E+01 volume  0.32645E-02 ppm1      2.322 ppm2      8.049 CV     1
   (( segid "    " and resid 103  and name HN  ))
 ASSI ! 2500!
   (( segid "    " and resid 104  and name HB1 ))
   (( segid "    " and resid 104  and name HA  ))
      2.700     0.900     0.900 peak  2500 spectrum    1 weight  0.10000E+01 volume  0.50922E-02 ppm1      4.013 ppm2      4.589 CV     1
 ASSI ! 2501!
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HA  ))
      2.700     0.900     0.900 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.50856E-02 ppm1      3.848 ppm2      4.598 CV     1
 ASSI ! 2504!
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HB1 ))
      1.700     0.400     0.500 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.19388E-01 ppm1      3.845 ppm2      4.025 CV     1
 ASSI ! 2507!
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 104  and name HN  ))
      2.300     0.600     0.600 peak  2507 spectrum    1 weight  0.10000E+01 volume  0.70089E-02 ppm1      4.765 ppm2      8.735 CV     1
 ASSI ! 2508!
   (( segid "    " and resid 103  and name HB1 )or ( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 104  and name HN  ))
      3.600     1.600     1.600 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.94958E-03 ppm1      2.337 ppm2      8.735 CV     1
 ASSI ! 2509!
   (( segid "    " and resid 103  and name HG1 ) or ( segid "    " and resid 103  and name HG2 ))
   (( segid "    " and resid 104  and name HN  ))
      4.200     2.200     1.800 peak  2509 spectrum    1 weight  0.10000E+01 volume  0.12134E-02 ppm1      2.325 ppm2      8.741 CV     1
 ASSI ! 2510!
   (( segid "    " and resid 104  and name HA  ))
   (( segid "    " and resid 104  and name HN  ))
      3.100     1.200     1.200 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.18592E-02 ppm1      4.603 ppm2      8.734 CV     1
 ASSI ! 2512!
   (( segid "    " and resid 104  and name HB2 ))
   (( segid "    " and resid 104  and name HN  ))
      3.300     1.300     1.300 peak  2512 spectrum    1 weight  0.10000E+01 volume  0.12889E-02 ppm1      3.845 ppm2      8.762 CV     1
 ASSI ! 2514!
   (( segid "    " and resid 105  and name HB1 ) or ( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 105  and name HA  ))
      2.700     0.900     0.900 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.34788E-02 ppm1      1.812 ppm2      5.587 CV     1
 ASSI ! 2515!
   (( segid "    " and resid 105  and name HG1 ))
   (( segid "    " and resid 105  and name HA  ))
      3.600     1.600     1.600 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.87607E-03 ppm1      1.571 ppm2      5.587 CV     1
 ASSI ! 2516!
   (( segid "    " and resid 105  and name HG2 ))
   (( segid "    " and resid 105  and name HA  ))
      3.400     1.400     1.400 peak  2516 spectrum    1 weight  0.10000E+01 volume  0.13875E-02 ppm1      1.439 ppm2      5.584 CV     1
 ASSI ! 2518!
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HB1 ))
      3.200     1.200     1.200 peak  2518 spectrum    1 weight  0.10000E+01 volume  0.15571E-02 ppm1      5.589 ppm2      1.830 CV     1
 ASSI ! 2519!
   (( segid "    " and resid 105  and name HA  ))
   (( segid "    " and resid 105  and name HB2 ))
      3.000     1.100     1.100 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.18909E-02 ppm1      5.587 ppm2      1.772 CV     1
 ASSI ! 2520!
   (( segid "    " and resid 105  and name HB2 ) or ( segid "    " and resid 105  and name HB1 ))
   (( segid "    " and resid 105 and name HE2 ) or ( segid "    " and resid 105 and name HE1 ))
      3.700     1.700     1.700 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.22759E-02 ppm1      1.809 ppm2      3.024 CV     1
 ASSI ! 2521!
   (( segid "    " and resid 105  and name HG1 ))
   (( segid "    " and resid 105 and name HE2 ) or ( segid "    " and resid 105 and name HE1 ))
      3.000     1.100     1.100 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.38247E-02 ppm1      1.565 ppm2      3.021 CV     1
 ASSI ! 2522!
   (( segid "    " and resid 105  and name HG2 ))
   (( segid "    " and resid 105 and name HE2 ) or ( segid "    " and resid 105 and name HE1 ))
      3.000     1.100     1.100 peak  2522 spectrum    1 weight  0.10000E+01 volume  0.34774E-02 ppm1      1.442 ppm2      3.024 CV     1
 ASSI ! 2524!
   (( segid "    " and resid 105  and name HB1 ) or ( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 105  and name HG1 ))
      2.500     0.800     0.800 peak  2524 spectrum    1 weight  0.10000E+01 volume  0.66085E-02 ppm1      1.812 ppm2      1.570 CV     1
 ASSI ! 2526!
   (( segid "    " and resid 105  and name HB2 ) or ( segid "    " and resid 105  and name HB1 ))
   (( segid "    " and resid 105  and name HG2 ))
      2.700     0.900     0.900 peak  2526 spectrum    1 weight  0.10000E+01 volume  0.37397E-02 ppm1      1.803 ppm2      1.450 CV     1
 ASSI ! 2527!
   (( segid "    " and resid 103  and name HA  ))
   (( segid "    " and resid 105  and name HN  ))
      4.600     2.600     1.400 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.12662E-02 ppm1      4.768 ppm2      7.608 CV     1
 ASSI ! 2528!
   (( segid "    " and resid 103  and name HB1 ) or ( segid "    " and resid 103  and name HB2 ))
   (( segid "    " and resid 105  and name HN  ))
      3.300     1.400     1.400 peak  2528 spectrum    1 weight  0.10000E+01 volume  0.16676E-02 ppm1      2.346 ppm2      7.608 CV     1
 ASSI ! 2529!
   (( segid "    " and resid 103  and name HG1 ) or ( segid "    " and resid 103  and name HG2 ))
   (( segid "    " and resid 105  and name HN  ))
      4.400     2.400     1.600 peak  2529 spectrum    1 weight  0.10000E+01 volume  0.10970E-02 ppm1      2.322 ppm2      7.605 CV     1
   (( segid "    " and resid 105  and name HN  ))
 ASSI ! 2534!
   (( segid "    " and resid 105  and name HB1 ) or ( segid "    " and resid 105  and name HB2 ))
   (( segid "    " and resid 105  and name HN  ))
      2.600     0.900     0.900 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.39208E-02 ppm1      1.812 ppm2      7.608 CV     1
 ASSI ! 2539!
   (( segid "    " and resid 106  and name HB1 ))
   (( segid "    " and resid 106  and name HA  ))
      3.200     1.300     1.300 peak  2539 spectrum    1 weight  0.10000E+01 volume  0.13070E-02 ppm1      3.995 ppm2      3.378 CV     1
 ASSI ! 2540!
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HA  ))
      3.000     1.200     1.200 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.13702E-02 ppm1      2.778 ppm2      3.378 CV     1
 ASSI ! 2542!
   (( segid "    " and resid 106  and name HB2 ))
   (( segid "    " and resid 106  and name HB1 ))
      2.200     0.600     0.600 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.26421E-02 ppm1      2.775 ppm2      3.989 CV     1
 ASSI ! 2547!
   (( segid "    " and resid 105  and name HB2 ) or ( segid "    " and resid 105  and name HB1 ))
   (( segid "    " and resid 106  and name HN  ))
      3.500     1.600     1.600 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.17224E-02 ppm1      1.815 ppm2      8.228 CV     1
 ASSI ! 2553!
   (( segid "    " and resid 106  and name HA  ))
   (( segid "    " and resid 107  and name HA  ))
      4.700     2.700     1.300 peak  2553 spectrum    1 weight  0.10000E+01 volume  0.56778E-03 ppm1      3.383 ppm2      5.033 CV     1
 ASSI ! 2554!
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 107  and name HA  ))
      3.000     1.100     1.100 peak  2554 spectrum    1 weight  0.10000E+01 volume  0.25105E-02 ppm1      4.229 ppm2      5.027 CV     1
 ASSI ! 2555!
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 107  and name HA  ))
      3.000     1.100     1.100 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.27363E-02 ppm1      4.118 ppm2      5.027 CV     1
 ASSI ! 2556!
   (  segid "    " and resid 109  and name HG2#)
   (( segid "    " and resid 107  and name HA  ))
      2.800     2.800     3.200 peak  2556 spectrum    1 weight  0.10000E+01 volume  0.81955E-03 ppm1      0.328 ppm2      5.024 CV     1
 ASSI ! 2570!
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108 and name HB1 ) or ( segid "    " and resid 108 and name HB2 ))
      3.100     1.200     1.200 peak  2570 spectrum    1 weight  0.10000E+01 volume  0.14589E-02 ppm1      4.756 ppm2      2.224 CV     1
 ASSI ! 2572!
   (  segid "    " and resid 53   and name HG2#)
   (  segid "    " and resid 108  and name HD# )
      4.400     2.400     1.600 peak  2572 spectrum    1 weight  0.10000E+01 volume  0.28946E-03 ppm1      0.243 ppm2      5.275 CV     1
 ASSI ! 2573!
   (( segid "    " and resid 108 and name HB2 ) or ( segid "    " and resid 108 and name HB1 ))
   (  segid "    " and resid 108  and name HD# )
      3.300     1.400     1.400 peak  2573 spectrum    1 weight  0.10000E+01 volume  0.86565E-03 ppm1      2.213 ppm2      5.263 CV     1
 ASSI ! 2574!
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 108  and name HE# )
      4.200     2.200     1.800 peak  2574 spectrum    1 weight  0.10000E+01 volume  0.56982E-03 ppm1      3.405 ppm2      5.892 CV     1
 ASSI ! 2575!
   (  segid "    " and resid 49   and name HD2#)
   (  segid "    " and resid 108  and name HE# )
      2.900     1.100     1.100 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.14971E-02 ppm1     -1.153 ppm2      5.893 CV     1
 ASSI ! 2576!
   (  segid "    " and resid 53   and name HG2#)
   (  segid "    " and resid 108  and name HE# )
      2.800     1.000     1.000 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.30527E-02 ppm1      0.243 ppm2      5.896 CV     1
 ASSI ! 2577!
   (  segid "    " and resid 110  and name HD1#)
   (  segid "    " and resid 108  and name HE# )
      2.600     0.800     0.800 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.20586E-02 ppm1      1.021 ppm2      5.893 CV     1
 ASSI ! 2578!
   (( segid "    " and resid 110  and name HG11))
   (  segid "    " and resid 108  and name HE# )
      3.100     1.200     1.200 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.12861E-02 ppm1      1.707 ppm2      5.890 CV     1
 ASSI ! 2579!
   (( segid "    " and resid 110  and name HG12))
   (  segid "    " and resid 108  and name HE# )
      3.700     1.700     1.700 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.72494E-03 ppm1      0.910 ppm2      5.893 CV     1
 ASSI ! 2580!
   (( segid "    " and resid 98   and name HB1 ))
   (( segid "    " and resid 108  and name HN  ))
      4.400     2.400     1.600 peak  2580 spectrum    1 weight  0.10000E+01 volume  0.63976E-03 ppm1      2.769 ppm2      7.818 CV     1
 ASSI ! 2585!
   (( segid "    " and resid 107  and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      3.500     1.500     1.500 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.16826E-02 ppm1      5.020 ppm2      7.827 CV     1
 ASSI ! 2586!
   (( segid "    " and resid 107  and name HB1 ))
   (( segid "    " and resid 108  and name HN  ))
      3.600     1.700     1.700 peak  2586 spectrum    1 weight  0.10000E+01 volume  0.11922E-02 ppm1      4.235 ppm2      7.827 CV     1
 ASSI ! 2587!
   (( segid "    " and resid 107  and name HB2 ))
   (( segid "    " and resid 108  and name HN  ))
      3.900     1.900     1.900 peak  2587 spectrum    1 weight  0.10000E+01 volume  0.75692E-03 ppm1      4.130 ppm2      7.827 CV     1
 ASSI ! 2588!
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 108  and name HN  ))
      2.800     1.000     1.000 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.20537E-02 ppm1      4.757 ppm2      7.819 CV     1
 ASSI ! 2590!
   (( segid "    " and resid 109  and name HB  ))
   (( segid "    " and resid 109  and name HA  ))
      2.700     0.900     0.900 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.38843E-02 ppm1      1.459 ppm2      5.218 CV     1
 ASSI ! 2591!
   (  segid "    " and resid 109  and name HG1#)
   (( segid "    " and resid 109  and name HA  ))
      2.500     0.800     0.800 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.48393E-02 ppm1      0.321 ppm2      5.215 CV     1
 ASSI ! 2592!
   (  segid "    " and resid 109  and name HG2#)
   (( segid "    " and resid 109  and name HA  ))
      2.700     0.900     0.900 peak  2592 spectrum    1 weight  0.10000E+01 volume  0.30662E-02 ppm1      0.322 ppm2      5.218 CV     1
 ASSI ! 2595!
   (  segid "    " and resid 109  and name HG1#)
   (( segid "    " and resid 109  and name HB  ))
      2.300     0.700     0.700 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.73524E-02 ppm1      0.321 ppm2      1.459 CV     1
 ASSI ! 2596!
   (  segid "    " and resid 109  and name HG2#)
   (( segid "    " and resid 109  and name HB  ))
      2.400     0.700     0.700 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.73424E-02 ppm1      0.325 ppm2      1.462 CV     1
 ASSI ! 2597!
   (( segid "    " and resid 95   and name HA  ))
   (( segid "    " and resid 109 and name HG1#) or ( segid "    " and resid 109 and name HG2#))
      4.700     2.700     1.300 peak  2597 spectrum    1 weight  0.10000E+01 volume  0.37747E-03 ppm1      4.691 ppm2      0.323 CV     1
 ASSI ! 2598!
   (( segid "    " and resid 95   and name HB1 ))
   (( segid "    " and resid 109 and name HG1#) or ( segid "    " and resid 109 and name HG2#))
      3.900     1.900     1.900 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.81373E-03 ppm1      0.940 ppm2      0.320 CV     1
 ASSI ! 2599!
   (( segid "    " and resid 95   and name HB2 ))
   (( segid "    " and resid 109 and name HG1#) or ( segid "    " and resid 109 and name HG2#))
      4.000     2.000     2.000 peak  2599 spectrum    1 weight  0.10000E+01 volume  0.13002E-02 ppm1      0.844 ppm2      0.314 CV     1
 ASSI ! 2600!
   (( segid "    " and resid 95   and name HD1 ))
   (( segid "    " and resid 109 and name HG1#) or ( segid "    " and resid 109 and name HG2#))
      3.200     1.300     1.300 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.20914E-02 ppm1      1.210 ppm2      0.317 CV     1
 ASSI ! 2601!
   (( segid "    " and resid 95   and name HD2 ))
   (( segid "    " and resid 109 and name HG1#) or ( segid "    " and resid 109 and name HG2#))
      3.200     1.300     1.300 peak  2601 spectrum    1 weight  0.10000E+01 volume  0.12105E-02 ppm1      1.036 ppm2      0.317 CV     1
 ASSI ! 2602!
   (( segid "    " and resid 95   and name HE2 ))
   (( segid "    " and resid 109 and name HG1#) or ( segid "    " and resid 109 and name HG2#))
      4.300     2.300     1.700 peak  2602 spectrum    1 weight  0.10000E+01 volume  0.82220E-03 ppm1      2.451 ppm2      0.323 CV     1
 ASSI ! 2603!
   (( segid "    " and resid 97   and name HA  ))
   (( segid "    " and resid 109 and name HG1#) or ( segid "    " and resid 109 and name HG2#))
      3.400     1.500     1.500 peak  2603 spectrum    1 weight  0.10000E+01 volume  0.74911E-03 ppm1      5.029 ppm2      0.317 CV     1
 ASSI ! 2604!
   (( segid "    " and resid 108  and name HA  ))
   (( segid "    " and resid 109 and name HG2#) or ( segid "    " and resid 109 and name HG1#))
      4.300     2.400     1.700 peak  2604 spectrum    1 weight  0.10000E+01 volume  0.68448E-03 ppm1      4.755 ppm2      0.321 CV     1
 ASSI ! 2605!
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 109 and name HG1#) or ( segid "    " and resid 109 and name HG2#))
      2.700     0.900     0.900 peak  2605 spectrum    1 weight  0.10000E+01 volume  0.32781E-02 ppm1      5.218 ppm2      0.321 CV     1
 ASSI ! 2606!
   (( segid "    " and resid 109  and name HB  ))
   (( segid "    " and resid 109 and name HG2#) or ( segid "    " and resid 109 and name HG1#))
      2.200     0.600     0.600 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.12111E-01 ppm1      1.459 ppm2      0.323 CV     1
 ASSI ! 2610!
   (( segid "    " and resid 108 and name HB2 ) or ( segid "    " and resid 108 and name HB1 ))
   (( segid "    " and resid 109  and name HN  ))
      4.900     3.000     1.100 peak  2610 spectrum    1 weight  0.10000E+01 volume  0.54839E-03 ppm1      2.211 ppm2      7.767 CV     1
 ASSI ! 2613!
   (  segid "    " and resid 109  and name HG1#)
   (( segid "    " and resid 109  and name HN  ))
      4.300     2.300     1.700 peak  2613 spectrum    1 weight  0.10000E+01 volume  0.13006E-02 ppm1      0.315 ppm2      7.767 CV     1
 ASSI ! 2614!
   (  segid "    " and resid 109  and name HG2#)
   (( segid "    " and resid 109  and name HN  ))
      2.700     0.900     0.900 peak  2614 spectrum    1 weight  0.10000E+01 volume  0.46104E-02 ppm1      0.322 ppm2      7.761 CV     1
 ASSI ! 2615!
   (  segid "    " and resid 109  and name HG2#)
   (( segid "    " and resid 110  and name HA  ))
      5.300     3.500     0.700 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.39954E-03 ppm1      0.331 ppm2      4.004 CV     1
 ASSI ! 2616!
   (  segid "    " and resid 110  and name HD1#)
   (( segid "    " and resid 110  and name HA  ))
      4.400     2.500     1.600 peak  2616 spectrum    1 weight  0.10000E+01 volume  0.10518E-02 ppm1      1.024 ppm2      4.022 CV     1
 ASSI ! 2617!
   (( segid "    " and resid 110  and name HG11))
   (( segid "    " and resid 110  and name HA  ))
      3.400     1.400     1.400 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.11741E-02 ppm1      1.704 ppm2      4.019 CV     1
 ASSI ! 2618!
   (( segid "    " and resid 110  and name HG12))
   (( segid "    " and resid 110  and name HA  ))
      2.800     1.000     1.000 peak  2618 spectrum    1 weight  0.10000E+01 volume  0.12823E-02 ppm1      0.904 ppm2      4.010 CV     1
 ASSI ! 2619!
   (  segid "    " and resid 110  and name HG2#)
   (( segid "    " and resid 110  and name HA  ))
      2.700     0.900     0.900 peak  2619 spectrum    1 weight  0.10000E+01 volume  0.35481E-02 ppm1      0.811 ppm2      4.007 CV     1
 ASSI ! 2621!
   (( segid "    " and resid 110  and name HA  ))
   (( segid "    " and resid 110  and name HB  ))
      3.400     1.500     1.500 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.77972E-03 ppm1      4.011 ppm2      1.441 CV     1
 ASSI ! 2622!
   (  segid "    " and resid 110  and name HD1#)
   (( segid "    " and resid 110  and name HB  ))
      2.600     0.800     0.800 peak  2622 spectrum    1 weight  0.10000E+01 volume  0.36988E-02 ppm1      1.027 ppm2      1.444 CV     1
 ASSI ! 2623!
   (( segid "    " and resid 110  and name HG12))
   (( segid "    " and resid 110  and name HB  ))
      3.600     1.600     1.600 peak  2623 spectrum    1 weight  0.10000E+01 volume  0.88205E-03 ppm1      0.910 ppm2      1.438 CV     1
 ASSI ! 2625!
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 110  and name HD1#)
      3.100     1.200     1.200 peak  2625 spectrum    1 weight  0.10000E+01 volume  0.19141E-02 ppm1      3.809 ppm2      1.015 CV     1
 ASSI ! 2627!
   (( segid "    " and resid 48   and name HB2 ))
   (  segid "    " and resid 110  and name HD1#)
      3.500     1.600     1.600 peak  2627 spectrum    1 weight  0.10000E+01 volume  0.16854E-02 ppm1      3.284 ppm2      1.027 CV     1
 ASSI ! 2628!
   (  segid "    " and resid 49   and name HD1#)
   (  segid "    " and resid 110  and name HD1#)
      3.800     1.800     1.800 peak  2628 spectrum    1 weight  0.10000E+01 volume  0.36338E-02 ppm1      0.600 ppm2      1.036 CV     1
 ASSI ! 2632!
   (  segid "    " and resid 110  and name HG2#)
   (  segid "    " and resid 110  and name HD1#)
      2.200     0.600     0.600 peak  2632 spectrum    1 weight  0.10000E+01 volume  0.91349E-02 ppm1      0.811 ppm2      1.024 CV     1
 ASSI ! 2633!
   (  segid "    " and resid 49   and name HD1#)
   (( segid "    " and resid 110  and name HG11))
      5.400     3.600     0.600 peak  2633 spectrum    1 weight  0.10000E+01 volume  0.13148E-02 ppm1      0.597 ppm2      1.711 CV     1
 ASSI ! 2635!
   (  segid "    " and resid 110  and name HD1#)
   (( segid "    " and resid 110  and name HG11))
      2.300     0.700     0.700 peak  2635 spectrum    1 weight  0.10000E+01 volume  0.42944E-02 ppm1      1.024 ppm2      1.702 CV     1
 ASSI ! 2636!
   (( segid "    " and resid 110  and name HG12))
   (( segid "    " and resid 110  and name HG11))
      2.000     0.500     0.500 peak  2636 spectrum    1 weight  0.10000E+01 volume  0.29422E-02 ppm1      0.910 ppm2      1.696 CV     1
 ASSI ! 2637!
   (  segid "    " and resid 110  and name HG2#)
   (( segid "    " and resid 110  and name HG11))
      4.300     2.300     1.700 peak  2637 spectrum    1 weight  0.10000E+01 volume  0.96179E-03 ppm1      0.811 ppm2      1.714 CV     1
 ASSI ! 2639!
   (  segid "    " and resid 110  and name HD1#)
   (( segid "    " and resid 110  and name HG12))
      2.000     0.500     0.500 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.12455E-01 ppm1      1.018 ppm2      0.919 CV     1
 ASSI ! 2640!
   (  segid "    " and resid 93   and name HE# )
   (  segid "    " and resid 110  and name HG2#)
      2.200     0.600     0.600 peak  2640 spectrum    1 weight  0.10000E+01 volume  0.12043E-01 ppm1      1.872 ppm2      0.811 CV     1
 ASSI ! 2643!
   (( segid "    " and resid 110  and name HB  ))
   (  segid "    " and resid 110  and name HG2#)
      2.200     0.600     0.600 peak  2643 spectrum    1 weight  0.10000E+01 volume  0.72921E-02 ppm1      1.444 ppm2      0.814 CV     1
 ASSI ! 2649!
   (( segid "    " and resid 109  and name HA  ))
   (( segid "    " and resid 110  and name HN  ))
      2.100     0.500     0.500 peak  2649 spectrum    1 weight  0.10000E+01 volume  0.74778E-02 ppm1      5.217 ppm2      8.611 CV     1
 ASSI ! 2650!
   (( segid "    " and resid 109  and name HB  ))
   (( segid "    " and resid 110  and name HN  ))
      4.100     2.100     1.900 peak  2650 spectrum    1 weight  0.10000E+01 volume  0.85481E-03 ppm1      1.456 ppm2      8.612 CV     1
 ASSI ! 2651!
   (  segid "    " and resid 109  and name HG1#)
   (( segid "    " and resid 110  and name HN  ))
      2.500     0.800     0.800 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.36828E-02 ppm1      0.321 ppm2      8.615 CV     1
 ASSI ! 2652!
   (  segid "    " and resid 109  and name HG2#)
   (( segid "    " and resid 110  and name HN  ))
      4.200     2.200     1.800 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.19308E-02 ppm1      0.325 ppm2      8.615 CV     1
 ASSI ! 2655!
   (  segid "    " and resid 110  and name HD1#)
   (( segid "    " and resid 110  and name HN  ))
      3.000     1.100     1.100 peak  2655 spectrum    1 weight  0.10000E+01 volume  0.62007E-03 ppm1      1.015 ppm2      8.618 CV     1
 ASSI ! 2659!
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HB1 ))
      2.700     0.900     0.900 peak  2659 spectrum    1 weight  0.10000E+01 volume  0.25493E-02 ppm1      4.756 ppm2      2.817 CV     1
 ASSI ! 2660!
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HB2 ))
      3.500     1.500     1.500 peak  2660 spectrum    1 weight  0.10000E+01 volume  0.15221E-02 ppm1      4.756 ppm2      2.679 CV     1
 ASSI ! 2662!
   (  segid "    " and resid 109  and name HG2#)
   (( segid "    " and resid 111  and name HD21))
      5.200     3.400     0.800 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.52654E-03 ppm1      0.328 ppm2      7.569 CV     1
 ASSI ! 2663!
   (( segid "    " and resid 111  and name HB1 ))
   (( segid "    " and resid 111  and name HD21))
      3.200     1.300     1.300 peak  2663 spectrum    1 weight  0.10000E+01 volume  0.12011E-02 ppm1      2.829 ppm2      7.572 CV     1
 ASSI ! 2664!
   (( segid "    " and resid 111  and name HB2 ))
   (( segid "    " and resid 111  and name HD21))
      3.600     1.600     1.600 peak  2664 spectrum    1 weight  0.10000E+01 volume  0.13200E-02 ppm1      2.679 ppm2      7.569 CV     1
 ASSI ! 2665!
   (( segid "    " and resid 95   and name HE2 ))
   (( segid "    " and resid 111  and name HD22))
      3.600     1.700     1.700 peak  2665 spectrum    1 weight  0.10000E+01 volume  0.10393E-02 ppm1      2.451 ppm2      7.041 CV     1
 ASSI ! 2666!
   (  segid "    " and resid 109  and name HG2#)
   (( segid "    " and resid 111  and name HD22))
      4.200     2.300     1.800 peak  2666 spectrum    1 weight  0.10000E+01 volume  0.11543E-02 ppm1      0.328 ppm2      7.041 CV     1
 ASSI ! 2667!
   (( segid "    " and resid 111  and name HB1 ))
   (( segid "    " and resid 111  and name HD22))
      4.200     2.200     1.800 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.98555E-03 ppm1      2.835 ppm2      7.041 CV     1
 ASSI ! 2669!
   (  segid "    " and resid 93   and name HE# )
   (( segid "    " and resid 111  and name HN  ))
      3.900     1.900     1.900 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.95527E-03 ppm1      1.875 ppm2      8.942 CV     1
 ASSI ! 2673!
   (( segid "    " and resid 110  and name HG12))
   (( segid "    " and resid 111  and name HN  ))
      5.500     3.800     0.500 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.37112E-03 ppm1      0.907 ppm2      8.942 CV     1
 ASSI ! 2674!
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 111  and name HN  ))
      3.000     1.200     1.200 peak  2674 spectrum    1 weight  0.10000E+01 volume  0.14984E-02 ppm1      4.762 ppm2      8.939 CV     1
 ASSI ! 2680!
   (( segid "    " and resid 113  and name HD1 ))
   (( segid "    " and resid 112  and name HA1 ))
      3.100     1.200     1.200 peak  2680 spectrum    1 weight  0.10000E+01 volume  0.25359E-02 ppm1      4.001 ppm2      4.457 CV     1
 ASSI ! 2681!
   (( segid "    " and resid 113  and name HD2 ))
   (( segid "    " and resid 112  and name HA1 ))
      2.400     0.700     0.700 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.26391E-02 ppm1      3.626 ppm2      4.463 CV     1
 ASSI ! 2682!
   (  segid "    " and resid 93   and name HE# )
   (( segid "    " and resid 112  and name HA2 ))
      3.500     1.500     1.500 peak  2682 spectrum    1 weight  0.10000E+01 volume  0.48821E-02 ppm1      1.875 ppm2      3.845 CV     1
 ASSI ! 2683!
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 112  and name HA2 ))
      4.200     2.200     1.800 peak  2683 spectrum    1 weight  0.10000E+01 volume  0.68806E-03 ppm1      4.771 ppm2      3.842 CV     1
 ASSI ! 2684!
   (( segid "    " and resid 112  and name HA1 ))
   (( segid "    " and resid 112  and name HA2 ))
      1.900     0.400     0.400 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.68008E-02 ppm1      4.457 ppm2      3.851 CV     1
 ASSI ! 2686!
   (( segid "    " and resid 113  and name HD1 ))
   (( segid "    " and resid 112  and name HA2 ))
      2.900     1.000     1.000 peak  2686 spectrum    1 weight  0.10000E+01 volume  0.27640E-02 ppm1      4.001 ppm2      3.854 CV     1
 ASSI ! 2687!
   (( segid "    " and resid 113  and name HD2 ))
   (( segid "    " and resid 112  and name HA2 ))
      3.400     1.400     1.400 peak  2687 spectrum    1 weight  0.10000E+01 volume  0.28463E-02 ppm1      3.629 ppm2      3.848 CV     1
 ASSI ! 2688!
   (  segid "    " and resid 93   and name HE# )
   (( segid "    " and resid 112  and name HN  ))
      3.600     1.600     1.600 peak  2688 spectrum    1 weight  0.10000E+01 volume  0.20601E-02 ppm1      1.875 ppm2      7.986 CV     1
 ASSI ! 2689!
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 112  and name HN  ))
      3.600     1.600     1.600 peak  2689 spectrum    1 weight  0.10000E+01 volume  0.56811E-03 ppm1      4.774 ppm2      7.986 CV     1
 ASSI ! 2691!
   (( segid "    " and resid 111  and name HA  ))
   (( segid "    " and resid 112  and name HN  ))
      2.200     0.600     0.600 peak  2691 spectrum    1 weight  0.10000E+01 volume  0.79276E-02 ppm1      4.762 ppm2      7.977 CV     1
 ASSI ! 2692!
   (( segid "    " and resid 111  and name HB1 ))
   (( segid "    " and resid 112  and name HN  ))
      3.000     1.100     1.100 peak  2692 spectrum    1 weight  0.10000E+01 volume  0.17866E-02 ppm1      2.829 ppm2      7.986 CV     1
 ASSI ! 2694!
   (( segid "    " and resid 112  and name HA1 ))
   (( segid "    " and resid 112  and name HN  ))
      2.700     0.900     0.900 peak  2694 spectrum    1 weight  0.10000E+01 volume  0.24642E-02 ppm1      4.457 ppm2      7.983 CV     1
 ASSI ! 2699!
   (( segid "    " and resid 113  and name HB1 ))
   (( segid "    " and resid 113  and name HA  ))
      2.100     0.600     0.600 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.73092E-02 ppm1      2.304 ppm2      4.610 CV     1
 ASSI ! 2700!
   (( segid "    " and resid 113  and name HB2 ))
   (( segid "    " and resid 113  and name HA  ))
      2.500     0.800     0.800 peak  2700 spectrum    1 weight  0.10000E+01 volume  0.54893E-02 ppm1      1.980 ppm2      4.607 CV     1
 ASSI ! 2701!
   (( segid "    " and resid 113  and name HG1 ))
   (( segid "    " and resid 113  and name HA  ))
      4.200     2.200     1.800 peak  2701 spectrum    1 weight  0.10000E+01 volume  0.12693E-02 ppm1      2.232 ppm2      4.610 CV     1
 ASSI ! 2702!
   (( segid "    " and resid 113  and name HG2 ))
   (( segid "    " and resid 113  and name HA  ))
      4.100     2.100     1.900 peak  2702 spectrum    1 weight  0.10000E+01 volume  0.88338E-03 ppm1      1.893 ppm2      4.610 CV     1
 ASSI ! 2704!
   (( segid "    " and resid 113  and name HD1 ))
   (( segid "    " and resid 113  and name HB1 ))
      3.400     1.500     1.500 peak  2704 spectrum    1 weight  0.10000E+01 volume  0.83421E-03 ppm1      3.998 ppm2      2.304 CV     1
 ASSI ! 2705!
   (( segid "    " and resid 113  and name HD2 ))
   (( segid "    " and resid 113  and name HB1 ))
      3.900     1.900     1.900 peak  2705 spectrum    1 weight  0.10000E+01 volume  0.15505E-02 ppm1      3.632 ppm2      2.298 CV     1
 ASSI ! 2707!
   (( segid "    " and resid 113  and name HD1 ))
   (( segid "    " and resid 113  and name HB2 ))
      4.400     2.400     1.600 peak  2707 spectrum    1 weight  0.10000E+01 volume  0.83525E-03 ppm1      4.001 ppm2      1.987 CV     1
 ASSI ! 2708!
   (( segid "    " and resid 113  and name HD2 ))
   (( segid "    " and resid 113  and name HB2 ))
      4.100     2.100     1.900 peak  2708 spectrum    1 weight  0.10000E+01 volume  0.12411E-02 ppm1      3.629 ppm2      1.984 CV     1
 ASSI ! 2709!
   (( segid "    " and resid 113  and name HG1 ))
   (( segid "    " and resid 113  and name HB2 ))
      2.500     0.800     0.800 peak  2709 spectrum    1 weight  0.10000E+01 volume  0.49813E-02 ppm1      2.235 ppm2      1.984 CV     1
 ASSI ! 2710!
   (  segid "    " and resid 93   and name HE# )
   (( segid "    " and resid 113  and name HD1 ))
      4.100     2.100     1.900 peak  2710 spectrum    1 weight  0.10000E+01 volume  0.16893E-02 ppm1      1.878 ppm2      4.001 CV     1
 ASSI ! 2714!
   (( segid "    " and resid 113  and name HG1 ))
   (( segid "    " and resid 113  and name HD1 ))
      2.600     0.800     0.800 peak  2714 spectrum    1 weight  0.10000E+01 volume  0.20906E-02 ppm1      2.232 ppm2      4.001 CV     1
 ASSI ! 2715!
   (( segid "    " and resid 113  and name HG2 ))
   (( segid "    " and resid 113  and name HD1 ))
      3.200     1.300     1.300 peak  2715 spectrum    1 weight  0.10000E+01 volume  0.20990E-02 ppm1      1.896 ppm2      4.004 CV     1
 ASSI ! 2716!
   (  segid "    " and resid 93   and name HE# )
   (( segid "    " and resid 113  and name HD2 ))
      2.900     1.100     1.100 peak  2716 spectrum    1 weight  0.10000E+01 volume  0.21104E-02 ppm1      1.875 ppm2      3.653 CV     1
 ASSI ! 2720!
   (( segid "    " and resid 113  and name HG1 ))
   (( segid "    " and resid 113  and name HD2 ))
      2.900     1.000     1.000 peak  2720 spectrum    1 weight  0.10000E+01 volume  0.26394E-02 ppm1      2.235 ppm2      3.632 CV     1
 ASSI ! 2721!
   (( segid "    " and resid 113  and name HG2 ))
   (( segid "    " and resid 113  and name HD2 ))
      2.500     0.800     0.800 peak  2721 spectrum    1 weight  0.10000E+01 volume  0.17823E-02 ppm1      1.896 ppm2      3.638 CV     1
 ASSI ! 2722!
   (( segid "    " and resid 112  and name HA2 ))
   (( segid "    " and resid 113  and name HG1 ))
      6.000     4.700     0.000 peak  2722 spectrum    1 weight  0.10000E+01 volume  0.29351E-03 ppm1      3.851 ppm2      2.244 CV     1
 ASSI ! 2727!
   (( segid "    " and resid 92  and name HD1 ) or ( segid "    " and resid 92  and name HD2 ))
   (( segid "    " and resid 114  and name HA1 ))
      5.100     3.200     0.900 peak  2727 spectrum    1 weight  0.10000E+01 volume  0.16499E-02 ppm1      1.575 ppm2      4.055 CV     1
 ASSI ! 2728!
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 114  and name HA1 ))
      3.200     1.300     1.300 peak  2728 spectrum    1 weight  0.10000E+01 volume  0.63170E-03 ppm1      4.768 ppm2      4.055 CV     1
 ASSI ! 2729!
   (( segid "    " and resid 114  and name HA2 ))
   (( segid "    " and resid 114  and name HA1 ))
      1.700     0.300     0.500 peak  2729 spectrum    1 weight  0.10000E+01 volume  0.70247E-02 ppm1      3.188 ppm2      4.049 CV     1
 ASSI ! 2730!
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 114  and name HA2 ))
      3.100     1.200     1.200 peak  2730 spectrum    1 weight  0.10000E+01 volume  0.60524E-03 ppm1      2.652 ppm2      3.195 CV     1
 ASSI ! 2731!
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 114  and name HA2 ))
      3.400     1.500     1.500 peak  2731 spectrum    1 weight  0.10000E+01 volume  0.55528E-03 ppm1      2.562 ppm2      3.192 CV     1
 ASSI ! 2734!
   (( segid "    " and resid 92  and name HD1 ) or ( segid "    " and resid 92  and name HD2 ))
   (( segid "    " and resid 114  and name HA2 ))
      5.200     3.400     0.800 peak  2734 spectrum    1 weight  0.10000E+01 volume  0.80862E-03 ppm1      1.569 ppm2      3.189 CV     1
 ASSI ! 2735!
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 114  and name HA2 ))
      4.500     2.500     1.500 peak  2735 spectrum    1 weight  0.10000E+01 volume  0.10600E-02 ppm1      4.762 ppm2      3.195 CV     1
 ASSI ! 2739!
   (( segid "    " and resid 92  and name HD1 ) or ( segid "    " and resid 92  and name HD2 ))
   (( segid "    " and resid 114  and name HN  ))
      5.200     3.400     0.800 peak  2739 spectrum    1 weight  0.10000E+01 volume  0.71460E-03 ppm1      1.572 ppm2      8.936 CV     1
 ASSI ! 2740!
   (( segid "    " and resid 94   and name HA  ))
   (( segid "    " and resid 114  and name HN  ))
      3.200     1.300     1.300 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.19263E-02 ppm1      4.765 ppm2      8.939 CV     1
 ASSI ! 2741!
   (( segid "    " and resid 112  and name HA1 ))
   (( segid "    " and resid 114  and name HN  ))
      4.400     2.400     1.600 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.50523E-03 ppm1      4.457 ppm2      8.939 CV     1
 ASSI ! 2742!
   (( segid "    " and resid 112  and name HA2 ))
   (( segid "    " and resid 114  and name HN  ))
      4.400     2.400     1.600 peak  2742 spectrum    1 weight  0.10000E+01 volume  0.64931E-03 ppm1      3.851 ppm2      8.942 CV     1
 ASSI ! 2746!
   (( segid "    " and resid 113  and name HD1 ))
   (( segid "    " and resid 114  and name HN  ))
      2.600     2.600     3.400 peak  2746 spectrum    1 weight  0.10000E+01 volume  0.13313E-02 ppm1      4.007 ppm2      8.939 CV     1
 ASSI ! 2748!
   (( segid "    " and resid 113  and name HG1 ))
   (( segid "    " and resid 114  and name HN  ))
      5.200     3.300     0.800 peak  2748 spectrum    1 weight  0.10000E+01 volume  0.80214E-03 ppm1      2.232 ppm2      8.939 CV     1
 ASSI ! 2754!
   (( segid "    " and resid 115 and name HD1 ) or ( segid "    " and resid 115 and name HD2 ))
   (( segid "    " and resid 115  and name HA  ))
      3.200     1.300     1.300 peak  2754 spectrum    1 weight  0.10000E+01 volume  0.28340E-02 ppm1      1.677 ppm2      4.526 CV     1
 ASSI ! 2755!
   (( segid "    " and resid 115 and name HG1 ) or ( segid "    " and resid 115 and name HG2 ))
   (( segid "    " and resid 115  and name HA  ))
      2.700     0.900     0.900 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.44422E-02 ppm1      1.463 ppm2      4.526 CV     1
 ASSI ! 2756!
   (( segid "    " and resid 113  and name HA  ))
   (( segid "    " and resid 115  and name HB1 ))
      5.000     3.200     1.000 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.92155E-03 ppm1      4.608 ppm2      1.887 CV     1
 ASSI ! 2757!
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 115  and name HB1 ))
      2.700     0.900     0.900 peak  2757 spectrum    1 weight  0.10000E+01 volume  0.55054E-02 ppm1      4.526 ppm2      1.891 CV     1
 ASSI ! 2758!
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 115  and name HB1 ))
      1.600     0.300     0.600 peak  2758 spectrum    1 weight  0.10000E+01 volume  0.20201E-01 ppm1      1.704 ppm2      1.882 CV     1
 ASSI ! 2759!
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 115  and name HB2 ))
      2.400     0.700     0.700 peak  2759 spectrum    1 weight  0.10000E+01 volume  0.57488E-02 ppm1      4.523 ppm2      1.702 CV     1
 ASSI ! 2760!
   (  segid "    " and resid 116  and name HG2#)
   (( segid "    " and resid 115  and name HB2 ))
      2.600     0.900     0.900 peak  2760 spectrum    1 weight  0.10000E+01 volume  0.12153E-02 ppm1      0.877 ppm2      1.702 CV     1
 ASSI ! 2761!
   (( segid "    " and resid 115 and name HD1 ) or ( segid "    " and resid 115 and name HD2 ))
   (( segid "    " and resid 115 and name HE1 ) or ( segid "    " and resid 115 and name HE2 ))
      2.400     0.700     0.700 peak  2761 spectrum    1 weight  0.10000E+01 volume  0.82034E-02 ppm1      1.677 ppm2      2.994 CV     1
 ASSI ! 2762!
   (( segid "    " and resid 115 and name HG1 ) or ( segid "    " and resid 115 and name HG2 ))
   (( segid "    " and resid 115 and name HE2 ) or ( segid "    " and resid 115 and name HE1 ))
      2.600     0.900     0.900 peak  2762 spectrum    1 weight  0.10000E+01 volume  0.68287E-02 ppm1      1.457 ppm2      3.003 CV     1
 ASSI ! 2764!
   (( segid "    " and resid 115  and name HB1 ))
   (( segid "    " and resid 115 and name HG1 ) or ( segid "    " and resid 115 and name HG2 ))
      2.300     0.700     0.700 peak  2764 spectrum    1 weight  0.10000E+01 volume  0.71954E-02 ppm1      1.884 ppm2      1.468 CV     1
 ASSI ! 2765!
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 115 and name HG2 ) or ( segid "    " and resid 115 and name HG1 ))
      2.500     0.800     0.800 peak  2765 spectrum    1 weight  0.10000E+01 volume  0.76493E-02 ppm1      1.716 ppm2      1.462 CV     1
 ASSI ! 2768!
   (( segid "    " and resid 114  and name HA1 ))
   (( segid "    " and resid 115  and name HN  ))
      2.600     0.800     0.800 peak  2768 spectrum    1 weight  0.10000E+01 volume  0.30981E-02 ppm1      4.058 ppm2      9.548 CV     1
 ASSI ! 2769!
   (( segid "    " and resid 114  and name HA2 ))
   (( segid "    " and resid 115  and name HN  ))
      3.300     1.400     1.400 peak  2769 spectrum    1 weight  0.10000E+01 volume  0.15450E-02 ppm1      3.191 ppm2      9.554 CV     1
 ASSI ! 2770!
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 115  and name HN  ))
      2.700     0.900     0.900 peak  2770 spectrum    1 weight  0.10000E+01 volume  0.19471E-02 ppm1      4.529 ppm2      9.548 CV     1
 ASSI ! 2771!
   (( segid "    " and resid 115  and name HB1 ))
   (( segid "    " and resid 115  and name HN  ))
      3.400     1.400     1.400 peak  2771 spectrum    1 weight  0.10000E+01 volume  0.18208E-02 ppm1      1.887 ppm2      9.548 CV     1
 ASSI ! 2772!
   (( segid "    " and resid 115  and name HB2 ))
   (( segid "    " and resid 115  and name HN  ))
      2.900     1.100     1.100 peak  2772 spectrum    1 weight  0.10000E+01 volume  0.26201E-02 ppm1      1.704 ppm2      9.548 CV     1
 ASSI ! 2774!
   (( segid "    " and resid 115 and name HG1 ) or ( segid "    " and resid 115 and name HG2 ))
   (( segid "    " and resid 115  and name HN  ))
      3.600     1.600     1.600 peak  2774 spectrum    1 weight  0.10000E+01 volume  0.28046E-02 ppm1      1.466 ppm2      9.551 CV     1
 ASSI ! 2778!
   (  segid "    " and resid 116  and name HG2#)
   (( segid "    " and resid 116  and name HA  ))
      3.500     1.600     1.600 peak  2778 spectrum    1 weight  0.10000E+01 volume  0.23953E-02 ppm1      0.868 ppm2      3.569 CV     1
 ASSI ! 2779!
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HB  ))
      2.600     0.800     0.800 peak  2779 spectrum    1 weight  0.10000E+01 volume  0.41231E-02 ppm1      3.568 ppm2      4.077 CV     1
 ASSI ! 2781!
   (  segid "    " and resid 116  and name HG2#)
   (( segid "    " and resid 116  and name HB  ))
      2.200     0.600     0.600 peak  2781 spectrum    1 weight  0.10000E+01 volume  0.11553E-01 ppm1      0.868 ppm2      4.073 CV     1
 ASSI ! 2784!
   (( segid "    " and resid 67   and name HG2 ))
   (  segid "    " and resid 116  and name HG2#)
      3.700     1.700     1.700 peak  2784 spectrum    1 weight  0.10000E+01 volume  0.76921E-03 ppm1      2.571 ppm2      0.868 CV     1
 ASSI ! 2785!
   (( segid "    " and resid 115  and name HB1 ))
   (  segid "    " and resid 116  and name HG2#)
      3.300     1.300     1.300 peak  2785 spectrum    1 weight  0.10000E+01 volume  0.11880E-02 ppm1      1.884 ppm2      0.865 CV     1
 ASSI ! 2790!
   (( segid "    " and resid 118  and name HB1 ))
   (  segid "    " and resid 116  and name HG2#)
      4.600     2.600     1.400 peak  2790 spectrum    1 weight  0.10000E+01 volume  0.76518E-03 ppm1      2.190 ppm2      0.868 CV     1
 ASSI ! 2791!
   (( segid "    " and resid 118  and name HB2 ))
   (  segid "    " and resid 116  and name HG2#)
      3.300     1.300     1.300 peak  2791 spectrum    1 weight  0.10000E+01 volume  0.21428E-02 ppm1      1.791 ppm2      0.868 CV     1
 ASSI ! 2792!
   (( segid "    " and resid 118  and name HG1 ))
   (  segid "    " and resid 116  and name HG2#)
      4.300     2.300     1.700 peak  2792 spectrum    1 weight  0.10000E+01 volume  0.68951E-03 ppm1      2.289 ppm2      0.865 CV     1
 ASSI ! 2793!
   (( segid "    " and resid 118  and name HG2 ))
   (  segid "    " and resid 116  and name HG2#)
      4.500     2.500     1.500 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.70803E-03 ppm1      2.118 ppm2      0.868 CV     1
 ASSI ! 2794!
   (( segid "    " and resid 120  and name HA  ))
   (  segid "    " and resid 116  and name HG2#)
      3.200     1.200     1.200 peak  2794 spectrum    1 weight  0.10000E+01 volume  0.17222E-02 ppm1      4.265 ppm2      0.865 CV     1
 ASSI ! 2795!
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 116  and name HN  ))
      3.900     1.900     1.900 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.14337E-02 ppm1      2.655 ppm2      7.329 CV     1
 ASSI ! 2797!
   (( segid "    " and resid 114  and name HA1 ))
   (( segid "    " and resid 116  and name HN  ))
      3.800     1.800     1.800 peak  2797 spectrum    1 weight  0.10000E+01 volume  0.47147E-03 ppm1      4.049 ppm2      7.326 CV     1
 ASSI ! 2799!
   (( segid "    " and resid 115  and name HA  ))
   (( segid "    " and resid 116  and name HN  ))
      2.900     1.000     1.000 peak  2799 spectrum    1 weight  0.10000E+01 volume  0.39890E-02 ppm1      4.526 ppm2      7.329 CV     1
 ASSI ! 2800!
   (( segid "    " and resid 115  and name HB1 ))
   (( segid "    " and resid 116  and name HN  ))
      3.100     1.200     1.200 peak  2800 spectrum    1 weight  0.10000E+01 volume  0.10098E-02 ppm1      1.887 ppm2      7.323 CV     1
 ASSI ! 2802!
   (( segid "    " and resid 115 and name HD1 ) or ( segid "    " and resid 115 and name HD2 ))
   (( segid "    " and resid 116  and name HN  ))
      2.600     2.600     3.400 peak  2802 spectrum    1 weight  0.10000E+01 volume  0.13128E-02 ppm1      1.689 ppm2      7.332 CV     1
 ASSI ! 2803!
   (( segid "    " and resid 115 and name HG2 ) or ( segid "    " and resid 115 and name HG1 ))
   (( segid "    " and resid 116  and name HN  ))
      3.800     1.800     1.800 peak  2803 spectrum    1 weight  0.10000E+01 volume  0.13287E-02 ppm1      1.454 ppm2      7.326 CV     1
 ASSI ! 2804!
   (( segid "    " and resid 116  and name HA  ))
   (( segid "    " and resid 116  and name HN  ))
      3.200     1.300     1.300 peak  2804 spectrum    1 weight  0.10000E+01 volume  0.14329E-02 ppm1      3.571 ppm2      7.332 CV     1
 ASSI ! 2806!
   (  segid "    " and resid 116  and name HG2#)
   (( segid "    " and resid 116  and name HN  ))
      2.700     0.900     0.900 peak  2806 spectrum    1 weight  0.10000E+01 volume  0.45095E-02 ppm1      0.868 ppm2      7.329 CV     1
 ASSI ! 2810!
   (  segid "    " and resid 65   and name HD1#)
   (( segid "    " and resid 117  and name HB1 ))
      4.100     2.100     1.900 peak  2810 spectrum    1 weight  0.10000E+01 volume  0.62264E-03 ppm1      1.144 ppm2      2.754 CV     1
 ASSI ! 2811!
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB1 ))
      2.400     0.700     0.700 peak  2811 spectrum    1 weight  0.10000E+01 volume  0.34940E-02 ppm1      4.915 ppm2      2.745 CV     1
 ASSI ! 2812!
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 117  and name HB1 ))
      1.700     0.400     0.500 peak  2812 spectrum    1 weight  0.10000E+01 volume  0.15172E-01 ppm1      2.589 ppm2      2.754 CV     1
 ASSI ! 2813!
   (  segid "    " and resid 65   and name HD1#)
   (( segid "    " and resid 117  and name HB2 ))
      3.900     1.900     1.900 peak  2813 spectrum    1 weight  0.10000E+01 volume  0.83948E-03 ppm1      1.138 ppm2      2.583 CV     1
 ASSI ! 2814!
   (  segid "    " and resid 65   and name HD2#)
   (( segid "    " and resid 117  and name HB2 ))
      3.800     1.800     1.800 peak  2814 spectrum    1 weight  0.10000E+01 volume  0.15437E-02 ppm1      0.962 ppm2      2.583 CV     1
 ASSI ! 2815!
   (  segid "    " and resid 116  and name HG2#)
   (( segid "    " and resid 117  and name HB2 ))
      4.500     2.500     1.500 peak  2815 spectrum    1 weight  0.10000E+01 volume  0.13274E-02 ppm1      0.868 ppm2      2.568 CV     1
 ASSI ! 2816!
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HB2 ))
      2.900     1.100     1.100 peak  2816 spectrum    1 weight  0.10000E+01 volume  0.28287E-02 ppm1      4.912 ppm2      2.589 CV     1
 ASSI ! 2818!
   (  segid "    " and resid 65   and name HD2#)
   (( segid "    " and resid 117  and name HD21))
      4.600     2.700     1.400 peak  2818 spectrum    1 weight  0.10000E+01 volume  0.70002E-03 ppm1      0.953 ppm2      8.267 CV     1
 ASSI ! 2819!
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 117  and name HD21))
      3.900     1.900     1.900 peak  2819 spectrum    1 weight  0.10000E+01 volume  0.93380E-03 ppm1      3.938 ppm2      8.267 CV     1
 ASSI ! 2820!
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HD21))
      1.800     0.400     0.400 peak  2820 spectrum    1 weight  0.10000E+01 volume  0.42001E-02 ppm1      4.915 ppm2      8.264 CV     1
 ASSI ! 2821!
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 117  and name HD21))
      3.200     1.200     1.200 peak  2821 spectrum    1 weight  0.10000E+01 volume  0.12356E-02 ppm1      2.754 ppm2      8.270 CV     1
 ASSI ! 2822!
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 117  and name HD21))
      3.900     1.900     1.900 peak  2822 spectrum    1 weight  0.10000E+01 volume  0.89804E-03 ppm1      2.586 ppm2      8.270 CV     1
 ASSI ! 2823!
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 117  and name HD22))
      4.200     2.200     1.800 peak  2823 spectrum    1 weight  0.10000E+01 volume  0.12150E-02 ppm1      3.938 ppm2      6.852 CV     1
 ASSI ! 2824!
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 117  and name HD22))
      3.600     1.600     1.600 peak  2824 spectrum    1 weight  0.10000E+01 volume  0.24427E-02 ppm1      4.918 ppm2      6.846 CV     1
 ASSI ! 2825!
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 117  and name HD22))
      3.400     1.500     1.500 peak  2825 spectrum    1 weight  0.10000E+01 volume  0.21041E-02 ppm1      2.760 ppm2      6.864 CV     1
 ASSI ! 2826!
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 117  and name HD22))
      3.500     1.500     1.500 peak  2826 spectrum    1 weight  0.10000E+01 volume  0.25226E-02 ppm1      2.586 ppm2      6.858 CV     1
 ASSI ! 2831!
   (( segid "    " and resid 117  and name HB1 ))
   (( segid "    " and resid 117  and name HN  ))
      3.800     1.800     1.800 peak  2831 spectrum    1 weight  0.10000E+01 volume  0.22411E-02 ppm1      2.757 ppm2      8.034 CV     1
 ASSI ! 2832!
   (( segid "    " and resid 117  and name HB2 ))
   (( segid "    " and resid 117  and name HN  ))
      2.600     0.800     0.800 peak  2832 spectrum    1 weight  0.10000E+01 volume  0.28060E-02 ppm1      2.586 ppm2      8.034 CV     1
 ASSI ! 2837!
   (( segid "    " and resid 69   and name HG1 ))
   (( segid "    " and resid 118  and name HA  ))
      2.700     0.900     0.900 peak  2837 spectrum    1 weight  0.10000E+01 volume  0.24186E-02 ppm1      1.040 ppm2      4.121 CV     1
 ASSI ! 2838!
   (( segid "    " and resid 118  and name HB1 ))
   (( segid "    " and resid 118  and name HA  ))
      2.600     0.800     0.800 peak  2838 spectrum    1 weight  0.10000E+01 volume  0.37684E-02 ppm1      2.190 ppm2      4.115 CV     1
 ASSI ! 2840!
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 118  and name HA  ))
      3.600     1.600     1.600 peak  2840 spectrum    1 weight  0.10000E+01 volume  0.16131E-02 ppm1      2.292 ppm2      4.115 CV     1
 ASSI ! 2841!
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 118  and name HA  ))
      3.000     1.100     1.100 peak  2841 spectrum    1 weight  0.10000E+01 volume  0.28946E-02 ppm1      2.118 ppm2      4.112 CV     1
 ASSI ! 2847!
   (( segid "    " and resid 118  and name HA  ))
   (( segid "    " and resid 118  and name HB2 ))
      3.000     1.100     1.100 peak  2847 spectrum    1 weight  0.10000E+01 volume  0.35386E-02 ppm1      4.109 ppm2      1.804 CV     1
 ASSI ! 2848!
   (( segid "    " and resid 118  and name HB1 ))
   (( segid "    " and resid 118  and name HB2 ))
      1.800     0.400     0.400 peak  2848 spectrum    1 weight  0.10000E+01 volume  0.12616E-01 ppm1      2.190 ppm2      1.798 CV     1
 ASSI ! 2849!
   (( segid "    " and resid 118  and name HG1 ))
   (( segid "    " and resid 118  and name HB2 ))
      2.500     0.800     0.800 peak  2849 spectrum    1 weight  0.10000E+01 volume  0.54706E-02 ppm1      2.286 ppm2      1.798 CV     1
 ASSI ! 2850!
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 118  and name HB2 ))
      2.800     1.000     1.000 peak  2850 spectrum    1 weight  0.10000E+01 volume  0.62622E-02 ppm1      2.118 ppm2      1.801 CV     1
 ASSI ! 2852!
   (( segid "    " and resid 118  and name HG2 ))
   (( segid "    " and resid 118  and name HG1 ))
      1.700     0.300     0.500 peak  2852 spectrum    1 weight  0.10000E+01 volume  0.19669E-01 ppm1      2.112 ppm2      2.289 CV     1
 ASSI ! 2855!
   (( segid "    " and resid 116  and name HB  ))
   (( segid "    " and resid 118  and name HN  ))
      4.900     3.000     1.100 peak  2855 spectrum    1 weight  0.10000E+01 volume  0.48360E-03 ppm1      4.085 ppm2      8.363 CV     1
 ASSI ! 2864!
   (( segid "    " and resid 119  and name HB1 ))
   (( segid "    " and resid 119  and name HA  ))
      2.600     0.800     0.800 peak  2864 spectrum    1 weight  0.10000E+01 volume  0.40761E-02 ppm1      2.926 ppm2      4.634 CV     1
 ASSI ! 2865!
   (( segid "    " and resid 119  and name HB2 ))
   (( segid "    " and resid 119  and name HA  ))
      2.900     1.000     1.000 peak  2865 spectrum    1 weight  0.10000E+01 volume  0.27101E-02 ppm1      2.770 ppm2      4.637 CV     1
 ASSI ! 2866!
   (  segid "    " and resid 120  and name HB# )
   (( segid "    " and resid 119  and name HA  ))
      4.300     2.300     1.700 peak  2866 spectrum    1 weight  0.10000E+01 volume  0.18238E-02 ppm1      1.260 ppm2      4.642 CV     1
 ASSI ! 2869!
   (( segid "    " and resid 68   and name HA  ))
   (  segid "    " and resid 119  and name HD# )
      3.600     1.600     1.600 peak  2869 spectrum    1 weight  0.10000E+01 volume  0.80954E-03 ppm1      3.758 ppm2      7.221 CV     1
 ASSI ! 2870!
   (( segid "    " and resid 69  and name HD1 ) or ( segid "    " and resid 69  and name HD2 ))
   (  segid "    " and resid 119  and name HD# )
      4.200     2.200     1.800 peak  2870 spectrum    1 weight  0.10000E+01 volume  0.45012E-03 ppm1      1.533 ppm2      7.221 CV     1
 ASSI ! 2871!
   (( segid "    " and resid 69  and name HE2 ) or ( segid "    " and resid 69  and name HE1 ))
   (  segid "    " and resid 119  and name HD# )
      2.700     2.700     3.300 peak  2871 spectrum    1 weight  0.10000E+01 volume  0.98472E-03 ppm1      2.826 ppm2      7.224 CV     1
 ASSI ! 2872!
   (( segid "    " and resid 119  and name HA  ))
   (  segid "    " and resid 119  and name HD# )
      2.900     1.100     1.100 peak  2872 spectrum    1 weight  0.10000E+01 volume  0.27667E-02 ppm1      4.641 ppm2      7.219 CV     1
 ASSI ! 2873!
   (( segid "    " and resid 119  and name HB1 ))
   (  segid "    " and resid 119  and name HD# )
      2.800     1.000     1.000 peak  2873 spectrum    1 weight  0.10000E+01 volume  0.31446E-02 ppm1      2.923 ppm2      7.221 CV     1
 ASSI ! 2874!
   (( segid "    " and resid 119  and name HB2 ))
   (  segid "    " and resid 119  and name HD# )
      2.900     1.000     1.000 peak  2874 spectrum    1 weight  0.10000E+01 volume  0.32073E-02 ppm1      2.767 ppm2      7.227 CV     1
 ASSI ! 2875!
   (( segid "    " and resid 69  and name HE2 ) or ( segid "    " and resid 69  and name HE1 ))
   (( segid "    " and resid 119  and name HN  ))
      2.600     2.600     3.400 peak  2875 spectrum    1 weight  0.10000E+01 volume  0.12278E-02 ppm1      2.829 ppm2      7.914 CV     1
 ASSI ! 2887!
   (  segid "    " and resid 120  and name HB# )
   (( segid "    " and resid 120  and name HA  ))
      2.200     0.600     0.600 peak  2887 spectrum    1 weight  0.10000E+01 volume  0.12842E-01 ppm1      1.263 ppm2      4.274 CV     1
 ASSI ! 2888!
   (( segid "    " and resid 67  and name HB1 ) or ( segid "    " and resid 67  and name HB2 ))
   (  segid "    " and resid 120  and name HB# )
      3.100     1.200     1.200 peak  2888 spectrum    1 weight  0.10000E+01 volume  0.19192E-02 ppm1      2.019 ppm2      1.258 CV     1
 ASSI ! 2889!
   (  segid "    " and resid 116  and name HG2#)
   (  segid "    " and resid 120  and name HB# )
      2.800     1.000     1.000 peak  2889 spectrum    1 weight  0.10000E+01 volume  0.35236E-02 ppm1      0.877 ppm2      1.270 CV     1
 ASSI ! 2898!
   (( segid "    " and resid 121  and name HB1 ))
   (( segid "    " and resid 121  and name HA  ))
      2.800     1.000     1.000 peak  2898 spectrum    1 weight  0.10000E+01 volume  0.52077E-02 ppm1      3.079 ppm2      4.406 CV     1
 ASSI ! 2899!
   (( segid "    " and resid 121  and name HB2 ))
   (( segid "    " and resid 121  and name HA  ))
      2.600     0.800     0.800 peak  2899 spectrum    1 weight  0.10000E+01 volume  0.63996E-02 ppm1      2.890 ppm2      4.403 CV     1
 ASSI ! 2901!
   (( segid "    " and resid 121  and name HB2 ))
   (( segid "    " and resid 121  and name HB1 ))
      1.500     0.300     0.700 peak  2901 spectrum    1 weight  0.10000E+01 volume  0.37416E-01 ppm1      2.884 ppm2      3.078 CV     1
 ASSI ! 2904!
   (( segid "    " and resid 121  and name HA  ))
   (  segid "    " and resid 121  and name HD# )
      3.800     1.800     1.800 peak  2904 spectrum    1 weight  0.10000E+01 volume  0.90626E-03 ppm1      4.406 ppm2      7.109 CV     1
 ASSI ! 2905!
   (( segid "    " and resid 121  and name HB1 ))
   (  segid "    " and resid 121  and name HD# )
      3.000     1.100     1.100 peak  2905 spectrum    1 weight  0.10000E+01 volume  0.23700E-02 ppm1      3.076 ppm2      7.110 CV     1
 ASSI ! 2906!
   (( segid "    " and resid 121  and name HB2 ))
   (  segid "    " and resid 121  and name HD# )
      3.000     1.100     1.100 peak  2906 spectrum    1 weight  0.10000E+01 volume  0.24627E-02 ppm1      2.884 ppm2      7.107 CV     1

! Ambiguous Restraints CHIPS(31-121):
! -----------------------------------
 ASSI !   35!
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 87   and name HG1# ) or (  segid "    " and resid 37   and name HG2# ))
      2.400     0.700     0.700 peak    35 spectrum    1 weight  0.10000E+01 volume  0.28559E-02 ppm1      9.066 ppm2      1.152 CV     1

 ASSI !   36!
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 41   and name HD2# ) or (  segid "    " and resid 80   and name HD2# ) or (  segid "    " and resid 45   and name HD1# ))
      5.000     3.100     1.000 peak    36 spectrum    1 weight  0.10000E+01 volume  0.39908E-03 ppm1      9.065 ppm2      0.928 CV     1

 ASSI !   86!
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 41   and name HD2# ) or (  segid "    " and resid 45   and name HD1# ))
      5.600     4.000     0.400 peak    86 spectrum    1 weight  0.10000E+01 volume  0.23509E-03 ppm1      7.340 ppm2      0.937 CV     1
 
 ASSI !  149!
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ) or ( segid "    " and resid 44   and name HB1 ))
      4.300     2.300     1.700 peak   149 spectrum    1 weight  0.10000E+01 volume  0.54967E-03 ppm1      7.258 ppm2      1.840 CV     1
 
 ASSI !  259!
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HD2# ) or (  segid "    " and resid 45   and name HD1# ) or (  segid "    " and resid 76   and name HD2# ) or (  segid "    " and resid 76   and name HD1# ))
      4.700     2.700     1.300 peak   259 spectrum    1 weight  0.10000E+01 volume  0.50091E-03 ppm1      7.427 ppm2      0.920 CV     1
 
 ASSI !  597!
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 76   and name HD1# ) or (  segid "    " and resid 45   and name HD1# ) or (  segid "    " and resid 76   and name HD2# ) or (  segid "    " and resid 73   and name HG2# ))
      4.900     3.100     1.100 peak   597 spectrum    1 weight  0.10000E+01 volume  0.67547E-03 ppm1      9.188 ppm2      0.920 CV     1

 ASSI !  598!
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HG1 ) or ( segid "    " and resid 64   and name HG12 ) or (  segid "    " and resid 65   and name HD1# ))
      4.500     2.500     1.500 peak   598 spectrum    1 weight  0.10000E+01 volume  0.38095E-03 ppm1      9.183 ppm2      1.131 CV     1

 ASSI !  753!
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HG1 ) or (  segid "    " and resid 66   and name HG2# ) or (  segid "    " and resid 90   and name HD2# ))
      4.200     2.200     1.800 peak   753 spectrum    1 weight  0.10000E+01 volume  0.10721E-02 ppm1      6.999 ppm2      1.047 CV     1
 
 ASSI !  807!
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HA  ) or ( segid "    " and resid 73   and name HA  ))
      2.100     0.500     0.500 peak   807 spectrum    1 weight  0.10000E+01 volume  0.98704E-02 ppm1      9.022 ppm2      4.878 CV     1
 
 ASSI !  852!
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ) or ( segid "    " and resid 76   and name HA  ))
      2.100     0.600     0.600 peak   852 spectrum    1 weight  0.10000E+01 volume  0.50390E-02 ppm1      8.523 ppm2      4.528 CV     1
 
 ASSI ! 1145!
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 91   and name HA1 ) or ( segid "    " and resid 92   and name HA  ) or ( segid "    " and resid 66   and name HB  ))
      2.300     0.700     0.700 peak  1145 spectrum    1 weight  0.10000E+01 volume  0.56678E-02 ppm1      8.772 ppm2      4.155 CV     1
 
 ASSI ! 1146!
   (( segid "    " and resid 92   and name HN  ))
   (( segid "    " and resid 113  and name HG2 ) or ( segid "    " and resid 93   and name HB2 ))
      5.200     3.400     0.800 peak  1146 spectrum    1 weight  0.10000E+01 volume  0.62343E-03 ppm1      8.772 ppm2      1.909 CV     1

 ASSI !    6!
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HD1# ) or (  segid "    " and resid 41   and name HD1# ))
      4.400     2.400     1.600 peak     6 spectrum    1 weight  0.10000E+01 volume  0.95403E-03 ppm1      3.833 ppm2      0.826 CV     1
 
 ASSI !   14!
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 45   and name HD1# ) or (  segid "    " and resid 76   and name HD2# ))
      5.500     3.800     0.500 peak    14 spectrum    1 weight  0.10000E+01 volume  0.40047E-03 ppm1      2.712 ppm2      0.937 CV     1
 
 ASSI !   15!
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 41   and name HD2#) or (  segid "    " and resid 45   and name HD1# ))
      4.100     2.100     1.900 peak    15 spectrum    1 weight  0.10000E+01 volume  0.65076E-03 ppm1      2.445 ppm2      0.934 CV     1

 ASSI !   16!
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ) or ( segid "    " and resid 45   and name HB1 ))
      3.500     1.600     1.600 peak    16 spectrum    1 weight  0.10000E+01 volume  0.19681E-02 ppm1      3.872 ppm2      1.936 CV     1

! Removed: too much overlap or sum intensity at the proton frequency of 0.925 ppm 
!
! ASSI !   17!
!   (( segid "    " and resid 44   and name HD1 ))
!   (( segid "    " and resid 45   and name HD2#) or (  segid "    " and resid 45   and name HD1# ) or (  segid "    " and resid 41   and name HD2# ))
!      4.600     2.600     1.400 peak    17 spectrum    1 weight  0.10000E+01 volume  0.55378E-03 ppm1      3.146 ppm2      0.925 CV     1

! ASSI !   18!
!   (( segid "    " and resid 44   and name HD2 ))
!   (( segid "    " and resid 45   and name HD2#) or (  segid "    " and resid 45   and name HD1# ) or (  segid "    " and resid 41   and name HD2# ))
!      3.900     1.900     1.900 peak    18 spectrum    1 weight  0.10000E+01 volume  0.92230E-03 ppm1      3.012 ppm2      0.922 CV     1
 
 ASSI !   19!
   (  segid "    " and resid 45   and name HD1#)
   (( segid "    " and resid 45   and name HB1 ) or ( segid "    " and resid 64   and name HB  ))
      2.300     0.700     0.700 peak    19 spectrum    1 weight  0.10000E+01 volume  0.47521E-02 ppm1      0.946 ppm2      1.909 CV     1
 
 ASSI !   25!
   (  segid "    " and resid 49   and name HD2#)
   (( segid "    " and resid 76   and name HD1#) or ( segid "    " and resid 110  and name HG12) or (  segid "    " and resid 76   and name HD2#) or (  segid "    " and resid 45   and name HD2#))
      3.900     1.900     1.900 peak    25 spectrum    1 weight  0.10000E+01 volume  0.15216E-02 ppm1     -1.147 ppm2      0.925 CV     1

 ASSI !   26!
   (  segid "    " and resid 49   and name HD2#)
   (( segid "    " and resid 59   and name HZ  ) or (  segid "    " and resid 98   and name HE# ) or ( segid "    " and resid 98   and name HZ  ) or (  segid "    " and resid 48   and name HD# ))
      2.900     1.100     1.100 peak    26 spectrum    1 weight  0.10000E+01 volume  0.21922E-02 ppm1     -1.144 ppm2      6.999 CV     1

   
 ASSI !   30!
   (( segid "    " and resid 59   and name HA  ))
   (( segid "    " and resid 58   and name HG2 ) or (  segid "    " and resid 76   and name HD1# ))
      4.400     2.400     1.600 peak    30 spectrum    1 weight  0.10000E+01 volume  0.65649E-03 ppm1      4.617 ppm2      0.936 CV     1
 
! Removed: incorrect assignment of an ambiguous restraint.
! Most likely intermolecular NOE HD# Lys61 to HD1# Leu22, but the chemical 
! shift of HD1# Leu22 is 0.603 ppm falls just outside the target chemical shift of 0.634 ppm. 
!
! ASSI !   31!
!   (( segid "    " and resid 61   and name HD1 ))
!   (( segid "    " and resid 96   and name HG2#) or (  segid "    " and resid 64   and name HD1#))
!      4.700     2.700     1.300 peak    31 spectrum    1 weight  0.10000E+01 volume  0.49664E-03 ppm1      0.985 ppm2      0.634 CV     1
 
! ASSI !   32!
!   (( segid "    " and resid 61   and name HD2 ))
!   (( segid "    " and resid 96   and name HG2#) or (  segid "    " and resid 64   and name HD1#))
!      4.500     2.500     1.500 peak    32 spectrum    1 weight  0.10000E+01 volume  0.53327E-03 ppm1      0.889 ppm2      0.634 CV     1
 
 ASSI !   33!
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 60   and name HN  ) or ( segid "    " and resid 74   and name HN  ))
      5.300     3.500     0.700 peak    33 spectrum    1 weight  0.10000E+01 volume  0.25068E-03 ppm1      1.150 ppm2      9.221 CV     1

 ASSI !   34!
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 96   and name HG2#) or (  segid "    " and resid 64   and name HD1#))
      4.400     2.400     1.600 peak    34 spectrum    1 weight  0.10000E+01 volume  0.61857E-03 ppm1      5.629 ppm2      0.634 CV     1
  
 ASSI !   36!
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 45   and name HD1#) or  (  segid "    " and resid 65   and name HD2#) or ( segid "    " and resid 95   and name HB1 ))
      4.700     2.800     1.300 peak    36 spectrum    1 weight  0.10000E+01 volume  0.59316E-03 ppm1      4.306 ppm2      0.945 CV     1

 ASSI !   37!
   (  segid "    " and resid 64   and name HD1#)
   (( segid "    " and resid 62   and name HG1 ) or ( segid "    " and resid 42   and name HB2 ) or ( segid "    " and resid 93   and name HG1 ) or ( segid "    " and resid 93   and name HG2 ))
      3.700     1.700     1.700 peak    37 spectrum    1 weight  0.10000E+01 volume  0.96333E-03 ppm1      0.622 ppm2      2.436 CV     1
 
 ASSI !   39!
   (  segid "    " and resid 64   and name HG2#)
   (( segid "    " and resid 93   and name HA  ) or ( segid "    " and resid 38   and name HA  ))
      4.100     2.100     1.900 peak    39 spectrum    1 weight  0.10000E+01 volume  0.98343E-03 ppm1      0.682 ppm2      3.836 CV     1
 
 ASSI !   42!
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 117  and name HD22) or (  segid "    " and resid 94   and name HD# ) or (  segid "    " and resid 97   and name HD# ))
      3.900     1.900     1.900 peak    42 spectrum    1 weight  0.10000E+01 volume  0.88068E-03 ppm1      5.542 ppm2      6.861 CV     1

 ASSI !   43!
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 72   and name HD# ) or ( segid "    " and resid 70   and name HN  ))
      4.800     2.800     1.200 peak    43 spectrum    1 weight  0.10000E+01 volume  0.29239E-03 ppm1      5.539 ppm2      7.002 CV     1
 
 ASSI !   44!
   (  segid "    " and resid 65   and name HD1#)
   ((  segid "    " and resid 97   and name HD# ) or or (  segid "    " and resid 94   and name HD# ) or ( segid "    " and resid 117  and name HD22))
      2.900     1.000     1.000 peak    44 spectrum    1 weight  0.10000E+01 volume  0.40346E-02 ppm1      1.138 ppm2      6.873 CV     1
 
 ASSI !   51!
   (( segid "    " and resid 85   and name HB2 ) or ( segid "    " and resid 85   and name HB1 ))
   (( segid "    " and resid 83   and name HB2 ) or ( segid "    " and resid 72   and name HB2 ))
      3.200     3.200     2.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.56155E-03 ppm1      1.853 ppm2      2.678 CV     1

 ASSI !   53!
   (  segid "    " and resid 89   and name HD1#)
   (( segid "    " and resid 92   and name HA  ) or ( segid "    " and resid 66   and name HB  ) or ( segid "    " and resid 91   and name HA1 ) or ( segid "    " and resid 90   and name HA ))
      3.900     1.900     1.900 peak    53 spectrum    1 weight  0.10000E+01 volume  0.79488E-03 ppm1      0.640 ppm2      4.154 CV     1

 ASSI !   54!
   (( segid "    " and resid 91   and name HA1 ))
   (( segid "    " and resid 67   and name HN  ) or ( segid "    " and resid 68   and name HN  ))
      3.600     1.600     1.600 peak    54 spectrum    1 weight  0.10000E+01 volume  0.63336E-03 ppm1      4.160 ppm2      8.585 CV     1
 
 ASSI !   56!
   (( segid "    " and resid 93   and name HA  ))
   (( segid "    " and resid 66   and name HB  ) or ( segid "    " and resid 92   and name HA  ))
      3.300     1.300     1.300 peak    56 spectrum    1 weight  0.10000E+01 volume  0.14752E-02 ppm1      3.831 ppm2      4.163 CV     1

 ASSI !   57!
   (( segid "    " and resid 96   and name HA  ))
   (( segid "    " and resid 65   and name HG  ) or (  segid "    " and resid 93   and name HE# ))
      4.000     2.000     2.000 peak    57 spectrum    1 weight  0.10000E+01 volume  0.41739E-03 ppm1      5.148 ppm2      1.879 CV     1
 
 ASSI !   58!
   (( segid "    " and resid 96   and name HB  ))
   ((  segid "    " and resid 45   and name HD1#) or (  segid "    " and resid 45   and name HD2#) or ( segid "    " and resid 110  and name HG12))
      3.500     1.500     1.500 peak    58 spectrum    1 weight  0.10000E+01 volume  0.11171E-02 ppm1      3.668 ppm2      0.919 CV     1
 
 ASSI !   60!
   (( segid "    " and resid 100  and name HB1 ))
   ((  segid "    " and resid 59   and name HD# ) or ( segid "    " and resid 58   and name HE21))
      5.300     3.600     0.700 peak    60 spectrum    1 weight  0.10000E+01 volume  0.26190E-03 ppm1      1.887 ppm2      7.161 CV     1
 
 ASSI !   61!
   (( segid "    " and resid 100  and name HB1 ))
   (( segid "    " and resid 58   and name HG1 ) or ( segid "    " and resid 103  and name HB2 ) or ( segid "    " and resid 103  and name HG2 ))
      3.400     1.400     1.400 peak    61 spectrum    1 weight  0.10000E+01 volume  0.13752E-02 ppm1      1.884 ppm2      2.307 CV     1
 
 ASSI !   62!
   (( segid "    " and resid 100  and name HB2 ))
   (( segid "    " and resid 103  and name HB2 ) or ( segid "    " and resid 103  and name HG2 ) or ( segid "    " and resid 58   and name HG1 ))
      3.000     1.100     1.100 peak    62 spectrum    1 weight  0.10000E+01 volume  0.14106E-02 ppm1      1.492 ppm2      2.313 CV     1
 
 ASSI !   69!
   (  segid "    " and resid 110  and name HD1#)
   ((  segid "    " and resid 93   and name HE# ) or ( segid "    " and resid 44   and name HB1 ))
      2.700     2.700     3.300 peak    69 spectrum    1 weight  0.10000E+01 volume  0.10899E-02 ppm1      1.021 ppm2      1.864 CV     1
 
 ASSI !   73!
   (( segid "    " and resid 117  and name HA  ))
   (( segid "    " and resid 68   and name HN  ) or ( segid "    " and resid 67   and name HN  ))
      3.900     1.900     1.900 peak    73 spectrum    1 weight  0.10000E+01 volume  0.86747E-03 ppm1      4.921 ppm2      8.567 CV     1

! Unambiguous Aria1.2 Restraints C5aR(P7-28S) peptide:
! ----------------------------------------------------
 ASSI !    8!
   (( segid "    " and resid 22   and name HB2 ) or ( segid "    " and resid 22   and name HG  ))
   (( segid "    " and resid 21   and name HA  ))
      5.200     3.400     0.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.37042E-03 ppm1      1.518 ppm2      5.390 CV     1
 
 ASSI !   10!
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 7    and name HG2#)
      3.100     1.200     1.200 peak    10 spectrum    1 weight  0.10000E+01 volume  0.27921E-02 ppm1      4.341 ppm2      1.178 CV     1
 ASSI !   12!
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.200     0.600     0.600 peak    12 spectrum    1 weight  0.10000E+01 volume  0.51310E-02 ppm1      4.340 ppm2      8.163 CV     1
 ASSI !   13!
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 7    and name HA  ))
      2.100     0.600     0.600 peak    13 spectrum    1 weight  0.10000E+01 volume  0.69552E-02 ppm1      4.180 ppm2      4.341 CV     1
 ASSI !   15!
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      3.700     1.700     1.700 peak    15 spectrum    1 weight  0.10000E+01 volume  0.91463E-03 ppm1      4.177 ppm2      8.163 CV     1
 ASSI !   17!
   (  segid "    " and resid 7    and name HG2#)
   (( segid "    " and resid 7    and name HB  ))
      2.400     0.700     0.700 peak    17 spectrum    1 weight  0.10000E+01 volume  0.49949E-02 ppm1      1.177 ppm2      4.159 CV     1
 ASSI !   19!
   (  segid "    " and resid 7    and name HG2#)
   (( segid "    " and resid 8    and name HN  ))
      5.000     3.100     1.000 peak    19 spectrum    1 weight  0.10000E+01 volume  0.56760E-03 ppm1      1.177 ppm2      8.163 CV     1
 ASSI !   21!
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 8    and name HG2#)
      2.300     0.600     0.600 peak    21 spectrum    1 weight  0.10000E+01 volume  0.80362E-02 ppm1      4.575 ppm2      1.210 CV     1
 ASSI !   22!
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak    22 spectrum    1 weight  0.10000E+01 volume  0.20110E-02 ppm1      4.575 ppm2      8.162 CV     1
 ASSI !   23!
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HG2 ) or ( segid "    " and resid 9    and name HG1 ) or ( segid "    " and resid 9    and name HB2 ))
      4.400     2.400     1.600 peak    23 spectrum    1 weight  0.10000E+01 volume  0.16718E-02 ppm1      4.575 ppm2      1.882 CV     1
 
 ASSI !   24!
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 11   and name HD# )
      5.900     4.400     0.100 peak    24 spectrum    1 weight  0.10000E+01 volume  0.33484E-03 ppm1      4.576 ppm2      6.618 CV     1
 ASSI !   25!
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 11   and name HE# )
      5.300     3.600     0.700 peak    25 spectrum    1 weight  0.10000E+01 volume  0.45643E-03 ppm1      4.576 ppm2      6.900 CV     1
 ASSI !   26!
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 8    and name HA  ))
      3.500     1.600     1.600 peak    26 spectrum    1 weight  0.10000E+01 volume  0.74408E-03 ppm1      4.096 ppm2      4.583 CV     1
 ASSI !   27!
   (( segid "    " and resid 8    and name HB  ))
   (  segid "    " and resid 8    and name HG2#)
      2.000     0.500     0.500 peak    27 spectrum    1 weight  0.10000E+01 volume  0.15056E-01 ppm1      4.095 ppm2      1.209 CV     1
 ASSI !   28!
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak    28 spectrum    1 weight  0.10000E+01 volume  0.18984E-02 ppm1      4.093 ppm2      8.162 CV     1
 ASSI !   29!
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 9    and name HB1 ))
      4.300     2.400     1.700 peak    29 spectrum    1 weight  0.10000E+01 volume  0.21157E-02 ppm1      4.102 ppm2      2.033 CV     1
 ASSI !   30!
   (( segid "    " and resid 8    and name HB  ))
   (( segid "    " and resid 9    and name HG2 ) or ( segid "    " and resid 9    and name HG1 ) or ( segid "    " and resid 9    and name HB2 ))
      5.900     4.300     0.100 peak    30 spectrum    1 weight  0.10000E+01 volume  0.45414E-03 ppm1      4.098 ppm2      1.889 CV     1
 
 ASSI !   33!
   (  segid "    " and resid 8    and name HG2#)
   (( segid "    " and resid 8    and name HN  ))
      4.100     2.100     1.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.15263E-02 ppm1      1.211 ppm2      8.162 CV     1
 ASSI !   36!
   (  segid "    " and resid 8    and name HG2#)
   (( segid "    " and resid 10   and name HN  ))
      4.300     2.300     1.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.99624E-03 ppm1      1.218 ppm2      7.815 CV     1
 ASSI !   38!
   (  segid "    " and resid 8    and name HG2#)
   (  segid "    " and resid 11   and name HE# )
      2.700     0.900     0.900 peak    38 spectrum    1 weight  0.10000E+01 volume  0.24109E-02 ppm1      1.224 ppm2      6.900 CV     1
 ASSI !   42!
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG2 ) or ( segid "    " and resid 9    and name HG1 ) or ( segid "    " and resid 9    and name HB2 ))
      3.200     1.300     1.300 peak    42 spectrum    1 weight  0.10000E+01 volume  0.22230E-02 ppm1      4.156 ppm2      1.884 CV     1

 ASSI !   43!
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      4.700     2.800     1.300 peak    43 spectrum    1 weight  0.10000E+01 volume  0.10201E-02 ppm1      4.159 ppm2      2.779 CV     1
 ASSI !   44!
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      4.700     2.800     1.300 peak    44 spectrum    1 weight  0.10000E+01 volume  0.82577E-03 ppm1      4.157 ppm2      2.510 CV     1
 ASSI !   45!
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.000     0.500     0.500 peak    45 spectrum    1 weight  0.10000E+01 volume  0.11632E-01 ppm1      4.156 ppm2      7.817 CV     1
 ASSI !   46!
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      2.600     0.800     0.800 peak    46 spectrum    1 weight  0.10000E+01 volume  0.15692E-02 ppm1      2.028 ppm2      4.161 CV     1
 ASSI !   47!
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.100     1.100 peak    47 spectrum    1 weight  0.10000E+01 volume  0.21558E-02 ppm1      2.029 ppm2      7.817 CV     1
 ASSI !   48!
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 11   and name HD# )
      4.800     2.800     1.200 peak    48 spectrum    1 weight  0.10000E+01 volume  0.46081E-03 ppm1      2.027 ppm2      6.617 CV     1
 ASSI !   50!
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 8    and name HA  ))
      3.100     1.200     1.200 peak    50 spectrum    1 weight  0.10000E+01 volume  0.45385E-03 ppm1      3.810 ppm2      4.573 CV     1
 ASSI !   51!
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 8    and name HB  ))
      5.200     3.400     0.800 peak    51 spectrum    1 weight  0.10000E+01 volume  0.28433E-03 ppm1      3.801 ppm2      4.087 CV     1
 ASSI !   52!
   (( segid "    " and resid 9    and name HD1 ))
   (  segid "    " and resid 8    and name HG2#)
      3.300     1.300     1.300 peak    52 spectrum    1 weight  0.10000E+01 volume  0.29383E-02 ppm1      3.804 ppm2      1.210 CV     1
 ASSI !   53!
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 8    and name HN  ))
      4.800     2.900     1.200 peak    53 spectrum    1 weight  0.10000E+01 volume  0.26517E-03 ppm1      3.802 ppm2      8.162 CV     1
 ASSI !   54!
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 9    and name HB1 ))
      4.500     2.500     1.500 peak    54 spectrum    1 weight  0.10000E+01 volume  0.78052E-03 ppm1      3.805 ppm2      2.027 CV     1
 ASSI !   55!
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 9    and name HG2 ) or ( segid "    " and resid 9    and name HG1 ) or ( segid "    " and resid 9    and name HB2 ))
      2.300     0.600     0.600 peak    55 spectrum    1 weight  0.10000E+01 volume  0.48218E-02 ppm1      3.804 ppm2      1.884 CV     1

 ASSI !   56!
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.900     0.000 peak    56 spectrum    1 weight  0.10000E+01 volume  0.24118E-03 ppm1      3.802 ppm2      7.826 CV     1
 ASSI !   57!
   (( segid "    " and resid 9    and name HD1 ))
   (  segid "    " and resid 11   and name HE# )
      5.100     3.200     0.900 peak    57 spectrum    1 weight  0.10000E+01 volume  0.45902E-03 ppm1      3.802 ppm2      6.903 CV     1
 ASSI !   58!
   (( segid "    " and resid 9    and name HD2 ))
   (  segid "    " and resid 8    and name HG2#)
      2.400     0.700     0.700 peak    58 spectrum    1 weight  0.10000E+01 volume  0.39494E-02 ppm1      3.595 ppm2      1.210 CV     1
 ASSI !   59!
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 8    and name HN  ))
      5.400     3.600     0.600 peak    59 spectrum    1 weight  0.10000E+01 volume  0.22920E-03 ppm1      3.594 ppm2      8.162 CV     1
 ASSI !   60!
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HB1 ))
      4.600     2.600     1.400 peak    60 spectrum    1 weight  0.10000E+01 volume  0.62504E-03 ppm1      3.594 ppm2      2.028 CV     1
 ASSI !   61!
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HG2 ) or ( segid "    " and resid 9    and name HG1 ) or ( segid "    " and resid 9    and name HB2 ))
      2.300     0.700     0.700 peak    61 spectrum    1 weight  0.10000E+01 volume  0.43584E-02 ppm1      3.592 ppm2      1.883 CV     1

 ASSI !   62!
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 10   and name HN  ))
      6.000     4.700     0.000 peak    62 spectrum    1 weight  0.10000E+01 volume  0.21141E-03 ppm1      3.591 ppm2      7.817 CV     1
 ASSI !   63!
   (( segid "    " and resid 9    and name HD2 ))
   (  segid "    " and resid 11   and name HD# )
      4.900     3.000     1.100 peak    63 spectrum    1 weight  0.10000E+01 volume  0.28986E-03 ppm1      3.590 ppm2      6.620 CV     1
 ASSI !   64!
   (( segid "    " and resid 9    and name HD2 ))
   (  segid "    " and resid 11   and name HE# )
      3.300     1.300     1.300 peak    64 spectrum    1 weight  0.10000E+01 volume  0.84703E-03 ppm1      3.590 ppm2      6.899 CV     1
 ASSI !   67!
   (( segid "    " and resid 9    and name HG2 ) or ( segid "    " and resid 9    and name HG1 ) or ( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      5.000     3.100     1.000 peak    67 spectrum    1 weight  0.10000E+01 volume  0.92037E-03 ppm1      1.884 ppm2      7.816 CV     1

 ASSI !   68!
   (( segid "    " and resid 9    and name HG2 ) or ( segid "    " and resid 9    and name HG1 ) or ( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 11   and name HD# )
      4.900     3.000     1.100 peak    68 spectrum    1 weight  0.10000E+01 volume  0.68389E-03 ppm1      1.881 ppm2      6.615 CV     1
 
 ASSI !   69!
   (( segid "    " and resid 9    and name HG2 ) or ( segid "    " and resid 9    and name HG1 ) or ( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 11   and name HE# )
      3.700     1.700     1.700 peak    69 spectrum    1 weight  0.10000E+01 volume  0.23647E-02 ppm1      1.882 ppm2      6.899 CV     1

 ASSI !   70!
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.700     0.900     0.900 peak    70 spectrum    1 weight  0.10000E+01 volume  0.29879E-02 ppm1      4.379 ppm2      2.774 CV     1
 ASSI !   71!
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.800     1.000     1.000 peak    71 spectrum    1 weight  0.10000E+01 volume  0.28113E-02 ppm1      4.379 ppm2      2.513 CV     1
 ASSI !   72!
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.900     0.900 peak    72 spectrum    1 weight  0.10000E+01 volume  0.30152E-02 ppm1      4.378 ppm2      7.818 CV     1
 ASSI !   73!
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 11   and name HD# )
      3.700     1.700     1.700 peak    73 spectrum    1 weight  0.10000E+01 volume  0.10335E-02 ppm1      4.379 ppm2      6.617 CV     1
 ASSI !   74!
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 11   and name HE# )
      4.600     2.700     1.400 peak    74 spectrum    1 weight  0.10000E+01 volume  0.46543E-03 ppm1      4.376 ppm2      6.904 CV     1
 ASSI !   75!
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name H   ))
      1.900     0.400     0.400 peak    75 spectrum    1 weight  0.10000E+01 volume  0.89966E-02 ppm1      4.379 ppm2      8.140 CV     1
 ASSI !   76!
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.800     1.800     1.800 peak    76 spectrum    1 weight  0.10000E+01 volume  0.18528E-02 ppm1      4.380 ppm2      8.269 CV     1
 ASSI !   79!
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HB2 ))
      1.900     0.400     0.400 peak    79 spectrum    1 weight  0.10000E+01 volume  0.62669E-02 ppm1      2.779 ppm2      2.512 CV     1
 ASSI !   80!
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      2.900     1.000     1.000 peak    80 spectrum    1 weight  0.10000E+01 volume  0.33569E-02 ppm1      2.774 ppm2      7.818 CV     1
 ASSI !   84!
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak    84 spectrum    1 weight  0.10000E+01 volume  0.29709E-02 ppm1      2.510 ppm2      7.815 CV     1
 ASSI !   85!
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name H   ))
      4.300     2.300     1.700 peak    85 spectrum    1 weight  0.10000E+01 volume  0.11019E-02 ppm1      2.509 ppm2      8.140 CV     1
 ASSI !   86!
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     5.100     0.000 peak    86 spectrum    1 weight  0.10000E+01 volume  0.32891E-03 ppm1      2.509 ppm2      8.268 CV     1
 ASSI !   94!
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      6.000     5.300     0.000 peak    94 spectrum    1 weight  0.10000E+01 volume  0.23712E-03 ppm1      7.817 ppm2      8.266 CV     1
 ASSI !   95!
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.900     1.100     1.100 peak    95 spectrum    1 weight  0.10000E+01 volume  0.16150E-02 ppm1      4.463 ppm2      3.454 CV     1
 ASSI !   96!
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.800     1.000     1.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.21377E-02 ppm1      4.468 ppm2      2.763 CV     1
 ASSI !   97!
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 11   and name HD# )
      3.100     1.200     1.200 peak    97 spectrum    1 weight  0.10000E+01 volume  0.80904E-02 ppm1      4.471 ppm2      6.618 CV     1
 ASSI !   98!
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 11   and name HE# )
      4.500     2.600     1.500 peak    98 spectrum    1 weight  0.10000E+01 volume  0.23839E-02 ppm1      4.469 ppm2      6.900 CV     1
 ASSI !   99!
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name H   ))
      2.800     1.000     1.000 peak    99 spectrum    1 weight  0.10000E+01 volume  0.19679E-02 ppm1      4.467 ppm2      8.141 CV     1
 ASSI !  100!
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.400     1.400     1.400 peak   100 spectrum    1 weight  0.10000E+01 volume  0.13780E-02 ppm1      4.468 ppm2      8.268 CV     1
 ASSI !  101!
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
      1.900     0.500     0.500 peak   101 spectrum    1 weight  0.10000E+01 volume  0.37992E-02 ppm1      3.450 ppm2      2.760 CV     1
 ASSI !  102!
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 11   and name HD# )
      2.600     0.900     0.900 peak   102 spectrum    1 weight  0.10000E+01 volume  0.31870E-02 ppm1      3.448 ppm2      6.618 CV     1
 ASSI !  103!
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 11   and name HE# )
      4.600     2.600     1.400 peak   103 spectrum    1 weight  0.10000E+01 volume  0.11073E-02 ppm1      3.449 ppm2      6.903 CV     1
 ASSI !  104!
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name H   ))
      3.200     1.300     1.300 peak   104 spectrum    1 weight  0.10000E+01 volume  0.13564E-02 ppm1      3.453 ppm2      8.142 CV     1
 ASSI !  105!
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
      4.600     2.600     1.400 peak   105 spectrum    1 weight  0.10000E+01 volume  0.56576E-03 ppm1      3.453 ppm2      8.272 CV     1
 ASSI !  107!
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 11   and name HD# )
      2.500     0.800     0.800 peak   107 spectrum    1 weight  0.10000E+01 volume  0.34124E-02 ppm1      2.760 ppm2      6.617 CV     1
 ASSI !  108!
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 11   and name HE# )
      4.600     2.600     1.400 peak   108 spectrum    1 weight  0.10000E+01 volume  0.11531E-02 ppm1      2.760 ppm2      6.901 CV     1
 ASSI !  109!
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
      4.200     2.200     1.800 peak   109 spectrum    1 weight  0.10000E+01 volume  0.76550E-03 ppm1      2.769 ppm2      8.269 CV     1
 ASSI !  110!
   (  segid "    " and resid 11   and name HD# )
   (  segid "    " and resid 8    and name HG2#)
      4.600     2.700     1.400 peak   110 spectrum    1 weight  0.10000E+01 volume  0.56944E-03 ppm1      6.617 ppm2      1.215 CV     1
 ASSI !  116!
   (  segid "    " and resid 11   and name HD# )
   (  segid "    " and resid 11   and name HE# )
      1.600     0.300     0.600 peak   116 spectrum    1 weight  0.10000E+01 volume  0.48666E-01 ppm1      6.619 ppm2      6.899 CV     1
 ASSI !  118!
   (  segid "    " and resid 11   and name HD# )
   (( segid "    " and resid 12   and name HN  ))
      4.000     2.000     2.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.73133E-03 ppm1      6.617 ppm2      8.270 CV     1
 ASSI !  120!
   (  segid "    " and resid 11   and name HE# )
   (( segid "    " and resid 9    and name HB1 ))
      2.900     1.000     1.000 peak   120 spectrum    1 weight  0.10000E+01 volume  0.44897E-03 ppm1      6.897 ppm2      2.023 CV     1
 ASSI !  121!
   (  segid "    " and resid 11   and name HE# )
   (( segid "    " and resid 9    and name HG2 ) or ( segid "    " and resid 9    and name HG1 ) or ( segid "    " and resid 9    and name HB2 ))
      3.500     1.600     1.600 peak   121 spectrum    1 weight  0.10000E+01 volume  0.11337E-02 ppm1      6.899 ppm2      1.883 CV     1
 ASSI !  126!
   (  segid "    " and resid 11   and name HE# )
   (( segid "    " and resid 12   and name HN  ))
      3.400     1.400     1.400 peak   126 spectrum    1 weight  0.10000E+01 volume  0.18006E-03 ppm1      6.893 ppm2      8.268 CV     1
 ASSI !  129!
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 10   and name HN  ))
      3.800     1.800     1.800 peak   129 spectrum    1 weight  0.10000E+01 volume  0.93683E-03 ppm1      8.141 ppm2      7.818 CV     1
 ASSI !  131!
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 11   and name HB2 ))
      3.300     1.400     1.400 peak   131 spectrum    1 weight  0.10000E+01 volume  0.22783E-02 ppm1      8.142 ppm2      2.769 CV     1
 ASSI !  132!
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 11   and name HD# )
      2.700     0.900     0.900 peak   132 spectrum    1 weight  0.10000E+01 volume  0.20366E-02 ppm1      8.142 ppm2      6.620 CV     1
 ASSI !  133!
   (( segid "    " and resid 11   and name H   ))
   (  segid "    " and resid 11   and name HE# )
      3.900     1.900     1.900 peak   133 spectrum    1 weight  0.10000E+01 volume  0.65644E-03 ppm1      8.144 ppm2      6.906 CV     1
 ASSI !  134!
   (( segid "    " and resid 11   and name H   ))
   (( segid "    " and resid 12   and name HN  ))
      1.800     0.400     0.400 peak   134 spectrum    1 weight  0.10000E+01 volume  0.35829E-02 ppm1      8.140 ppm2      8.269 CV     1
 ASSI !  135!
   (( segid "    " and resid 12   and name HA1 ))
   (  segid "    " and resid 11   and name HD# )
      4.100     2.100     1.900 peak   135 spectrum    1 weight  0.10000E+01 volume  0.43864E-03 ppm1      4.159 ppm2      6.617 CV     1
 ASSI !  136!
   (( segid "    " and resid 12   and name HA1 ))
   (  segid "    " and resid 11   and name HE# )
      2.900     2.900     3.100 peak   136 spectrum    1 weight  0.10000E+01 volume  0.40076E-03 ppm1      4.159 ppm2      6.899 CV     1
 ASSI !  137!
   (( segid "    " and resid 12   and name HA1 ))
   (( segid "    " and resid 11   and name H   ))
      4.800     2.900     1.200 peak   137 spectrum    1 weight  0.10000E+01 volume  0.71772E-03 ppm1      4.155 ppm2      8.139 CV     1
 ASSI !  138!
   (( segid "    " and resid 12   and name HA1 ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     1.000     1.000 peak   138 spectrum    1 weight  0.10000E+01 volume  0.15414E-02 ppm1      4.156 ppm2      8.271 CV     1
 ASSI !  139!
   (( segid "    " and resid 12   and name HA1 ))
   (( segid "    " and resid 13   and name HN  ))
      3.200     1.300     1.300 peak   139 spectrum    1 weight  0.10000E+01 volume  0.18934E-02 ppm1      4.156 ppm2      7.288 CV     1
 ASSI !  140!
   (( segid "    " and resid 12   and name HA2 ))
   (  segid "    " and resid 11   and name HD# )
      4.600     2.600     1.400 peak   140 spectrum    1 weight  0.10000E+01 volume  0.27676E-03 ppm1      4.087 ppm2      6.617 CV     1
 ASSI !  141!
   (( segid "    " and resid 12   and name HA2 ))
   (  segid "    " and resid 11   and name HE# )
      2.900     2.900     3.100 peak   141 spectrum    1 weight  0.10000E+01 volume  0.43480E-03 ppm1      4.094 ppm2      6.901 CV     1
 ASSI !  142!
   (( segid "    " and resid 12   and name HA2 ))
   (( segid "    " and resid 11   and name H   ))
      5.000     3.100     1.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.62205E-03 ppm1      4.091 ppm2      8.139 CV     1
 ASSI !  143!
   (( segid "    " and resid 12   and name HA2 ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     1.000     1.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.19232E-02 ppm1      4.090 ppm2      8.271 CV     1
 ASSI !  144!
   (( segid "    " and resid 12   and name HA2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.800     1.000     1.000 peak   144 spectrum    1 weight  0.10000E+01 volume  0.22358E-02 ppm1      4.090 ppm2      7.290 CV     1
 ASSI !  149!
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      3.500     1.500     1.500 peak   149 spectrum    1 weight  0.10000E+01 volume  0.13754E-02 ppm1      8.268 ppm2      7.289 CV     1
 ASSI !  150!
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
      3.100     1.200     1.200 peak   150 spectrum    1 weight  0.10000E+01 volume  0.14539E-02 ppm1      4.683 ppm2      3.278 CV     1
 ASSI !  151!
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HD2 ))
      3.100     3.100     2.900 peak   151 spectrum    1 weight  0.10000E+01 volume  0.55637E-02 ppm1      4.678 ppm2      7.264 CV     1
 ASSI !  152!
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.300     0.600     0.600 peak   152 spectrum    1 weight  0.10000E+01 volume  0.90652E-02 ppm1      4.681 ppm2      7.288 CV     1
 ASSI !  153!
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      4.500     2.500     1.500 peak   153 spectrum    1 weight  0.10000E+01 volume  0.11950E-02 ppm1      4.682 ppm2      3.126 CV     1
 ASSI !  154!
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 14   and name HD# )
      2.800     1.000     1.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.39508E-02 ppm1      4.682 ppm2      7.830 CV     1
 ASSI !  155!
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 14   and name HE# )
      4.000     2.000     2.000 peak   155 spectrum    1 weight  0.10000E+01 volume  0.11055E-02 ppm1      4.682 ppm2      7.464 CV     1
 ASSI !  156!
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name H   ))
      3.000     1.100     1.100 peak   156 spectrum    1 weight  0.10000E+01 volume  0.13125E-02 ppm1      4.682 ppm2      8.967 CV     1
 ASSI !  157!
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HD2 ))
      3.200     1.300     1.300 peak   157 spectrum    1 weight  0.10000E+01 volume  0.21886E-02 ppm1      3.268 ppm2      7.264 CV     1
 ASSI !  158!
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HE1 ))
      6.000     4.500     0.000 peak   158 spectrum    1 weight  0.10000E+01 volume  0.17266E-03 ppm1      3.269 ppm2      8.408 CV     1
 ASSI !  159!
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      3.400     1.400     1.400 peak   159 spectrum    1 weight  0.10000E+01 volume  0.84313E-03 ppm1      3.268 ppm2      7.289 CV     1
 ASSI !  160!
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 14   and name H   ))
      3.400     1.400     1.400 peak   160 spectrum    1 weight  0.10000E+01 volume  0.21499E-02 ppm1      3.268 ppm2      8.961 CV     1
 ASSI !  161!
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HD2 ))
      2.700     0.900     0.900 peak   161 spectrum    1 weight  0.10000E+01 volume  0.27148E-02 ppm1      3.210 ppm2      7.264 CV     1
 ASSI !  162!
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HE1 ))
      5.800     4.200     0.200 peak   162 spectrum    1 weight  0.10000E+01 volume  0.24610E-03 ppm1      3.206 ppm2      8.411 CV     1
 ASSI !  163!
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      4.000     2.000     2.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.78329E-03 ppm1      3.212 ppm2      7.290 CV     1
 ASSI !  164!
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 14   and name HD# )
      4.200     2.200     1.800 peak   164 spectrum    1 weight  0.10000E+01 volume  0.12508E-02 ppm1      3.209 ppm2      7.828 CV     1
 ASSI !  165!
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 14   and name HE# )
      5.300     3.600     0.700 peak   165 spectrum    1 weight  0.10000E+01 volume  0.33969E-03 ppm1      3.210 ppm2      7.464 CV     1
 ASSI !  166!
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name H   ))
      2.600     0.900     0.900 peak   166 spectrum    1 weight  0.10000E+01 volume  0.20935E-02 ppm1      3.213 ppm2      8.966 CV     1
 ASSI !  169!
   (( segid "    " and resid 13   and name HD2 ))
   (( segid "    " and resid 13   and name HE1 ))
      4.400     2.400     1.600 peak   169 spectrum    1 weight  0.10000E+01 volume  0.98813E-03 ppm1      7.263 ppm2      8.411 CV     1
 ASSI !  179!
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name H   ))
      4.400     2.400     1.600 peak   179 spectrum    1 weight  0.10000E+01 volume  0.53252E-03 ppm1      7.288 ppm2      8.965 CV     1
 ASSI !  180!
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.300     1.400     1.400 peak   180 spectrum    1 weight  0.10000E+01 volume  0.42122E-02 ppm1      4.646 ppm2      3.207 CV     1
 ASSI !  181!
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HD2 ))
      2.900     1.100     1.100 peak   181 spectrum    1 weight  0.10000E+01 volume  0.33027E-02 ppm1      4.649 ppm2      7.267 CV     1
 ASSI !  182!
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.100     2.100     3.900 peak   182 spectrum    1 weight  0.10000E+01 volume  0.31104E-02 ppm1      4.650 ppm2      7.289 CV     1
 ASSI !  183!
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.400     0.700     0.700 peak   183 spectrum    1 weight  0.10000E+01 volume  0.50555E-02 ppm1      4.647 ppm2      3.278 CV     1
 ASSI !  184!
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.300     1.400     1.400 peak   184 spectrum    1 weight  0.10000E+01 volume  0.11831E-02 ppm1      4.647 ppm2      3.131 CV     1
 ASSI !  185!
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD# )
      3.400     1.400     1.400 peak   185 spectrum    1 weight  0.10000E+01 volume  0.35701E-02 ppm1      4.647 ppm2      7.828 CV     1
 ASSI !  186!
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HE# )
      5.200     3.400     0.800 peak   186 spectrum    1 weight  0.10000E+01 volume  0.84748E-03 ppm1      4.650 ppm2      7.464 CV     1
 ASSI !  187!
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name H   ))
      2.400     0.700     0.700 peak   187 spectrum    1 weight  0.10000E+01 volume  0.57710E-02 ppm1      4.646 ppm2      8.967 CV     1
 ASSI !  188!
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.500     1.500     1.500 peak   188 spectrum    1 weight  0.10000E+01 volume  0.78012E-03 ppm1      4.646 ppm2      8.008 CV     1
 ASSI !  189!
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 14   and name HD# )
      2.400     0.700     0.700 peak   189 spectrum    1 weight  0.10000E+01 volume  0.63721E-02 ppm1      3.288 ppm2      7.826 CV     1
 ASSI !  190!
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 14   and name HE# )
      4.400     2.400     1.600 peak   190 spectrum    1 weight  0.10000E+01 volume  0.17570E-02 ppm1      3.288 ppm2      7.463 CV     1
 ASSI !  192!
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 15   and name HN  ))
      3.800     1.800     1.800 peak   192 spectrum    1 weight  0.10000E+01 volume  0.11670E-02 ppm1      3.294 ppm2      8.004 CV     1
 ASSI !  193!
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 13   and name HD2 ))
      5.100     3.200     0.900 peak   193 spectrum    1 weight  0.10000E+01 volume  0.38190E-03 ppm1      3.127 ppm2      7.266 CV     1
 ASSI !  194!
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 14   and name HD# )
      2.400     0.700     0.700 peak   194 spectrum    1 weight  0.10000E+01 volume  0.60338E-02 ppm1      3.123 ppm2      7.827 CV     1
 ASSI !  196!
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name H   ))
      3.300     1.300     1.300 peak   196 spectrum    1 weight  0.10000E+01 volume  0.19919E-02 ppm1      3.121 ppm2      8.965 CV     1
 ASSI !  197!
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.600     1.600     1.600 peak   197 spectrum    1 weight  0.10000E+01 volume  0.71785E-03 ppm1      3.123 ppm2      8.008 CV     1
 ASSI !  199!
   (  segid "    " and resid 14   and name HD# )
   (( segid "    " and resid 13   and name HD2 ))
      4.700     2.700     1.300 peak   199 spectrum    1 weight  0.10000E+01 volume  0.81093E-03 ppm1      7.827 ppm2      7.266 CV     1
 ASSI !  200!
   (  segid "    " and resid 14   and name HD# )
   (( segid "    " and resid 13   and name HN  ))
      2.500     2.500     3.500 peak   200 spectrum    1 weight  0.10000E+01 volume  0.10297E-02 ppm1      7.827 ppm2      7.291 CV     1
 ASSI !  203!
   (  segid "    " and resid 14   and name HD# )
   (  segid "    " and resid 14   and name HE# )
      1.800     0.400     0.400 peak   203 spectrum    1 weight  0.10000E+01 volume  0.28225E-01 ppm1      7.829 ppm2      7.465 CV     1
 ASSI !  205!
   (  segid "    " and resid 14   and name HD# )
   (( segid "    " and resid 15   and name HN  ))
      3.600     1.600     1.600 peak   205 spectrum    1 weight  0.10000E+01 volume  0.18816E-02 ppm1      7.827 ppm2      8.007 CV     1
 ASSI !  207!
   (  segid "    " and resid 14   and name HE# )
   (( segid "    " and resid 14   and name HB2 ))
      4.600     2.600     1.400 peak   207 spectrum    1 weight  0.10000E+01 volume  0.13388E-02 ppm1      7.463 ppm2      3.126 CV     1
 ASSI !  209!
   (  segid "    " and resid 14   and name HE# )
   (( segid "    " and resid 14   and name H   ))
      3.900     1.900     1.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.15955E-02 ppm1      7.465 ppm2      8.965 CV     1
 ASSI !  210!
   (  segid "    " and resid 14   and name HE# )
   (( segid "    " and resid 15   and name HN  ))
      2.800     2.800     3.200 peak   210 spectrum    1 weight  0.10000E+01 volume  0.48575E-03 ppm1      7.463 ppm2      8.010 CV     1
 ASSI !  212!
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 13   and name HD2 ))
      3.200     1.300     1.300 peak   212 spectrum    1 weight  0.10000E+01 volume  0.10947E-02 ppm1      8.965 ppm2      7.264 CV     1
 ASSI !  214!
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 14   and name HB1 ))
      3.000     1.100     1.100 peak   214 spectrum    1 weight  0.10000E+01 volume  0.29186E-02 ppm1      8.966 ppm2      3.282 CV     1
 ASSI !  216!
   (( segid "    " and resid 14   and name H   ))
   (  segid "    " and resid 14   and name HD# )
      2.200     0.600     0.600 peak   216 spectrum    1 weight  0.10000E+01 volume  0.64505E-02 ppm1      8.966 ppm2      7.827 CV     1
 ASSI !  218!
   (( segid "    " and resid 14   and name H   ))
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.400     1.400 peak   218 spectrum    1 weight  0.10000E+01 volume  0.53500E-03 ppm1      8.966 ppm2      8.008 CV     1
 ASSI !  219!
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.800     0.800 peak   219 spectrum    1 weight  0.10000E+01 volume  0.37245E-02 ppm1      4.682 ppm2      8.009 CV     1
 ASSI !  220!
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.400     1.500     1.500 peak   220 spectrum    1 weight  0.10000E+01 volume  0.50806E-03 ppm1      4.683 ppm2      8.572 CV     1
 ASSI !  221!
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 13   and name HD2 ))
      2.900     1.000     1.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.33991E-02 ppm1      2.881 ppm2      7.263 CV     1
 ASSI !  222!
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HB2 ))
      2.200     0.600     0.600 peak   222 spectrum    1 weight  0.10000E+01 volume  0.20796E-02 ppm1      2.882 ppm2      2.025 CV     1
 ASSI !  223!
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HN  ))
      3.700     1.700     1.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.91410E-03 ppm1      2.883 ppm2      8.007 CV     1
 ASSI !  224!
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.400     1.400     1.400 peak   224 spectrum    1 weight  0.10000E+01 volume  0.77684E-03 ppm1      2.884 ppm2      8.572 CV     1
 ASSI !  225!
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 13   and name HD2 ))
      2.600     0.800     0.800 peak   225 spectrum    1 weight  0.10000E+01 volume  0.40679E-02 ppm1      2.023 ppm2      7.263 CV     1
 ASSI !  227!
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.500     1.500     1.500 peak   227 spectrum    1 weight  0.10000E+01 volume  0.77839E-03 ppm1      2.024 ppm2      8.004 CV     1
 ASSI !  228!
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      4.000     2.000     2.000 peak   228 spectrum    1 weight  0.10000E+01 volume  0.52617E-03 ppm1      2.022 ppm2      8.574 CV     1
 ASSI !  229!
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      5.200     3.400     0.800 peak   229 spectrum    1 weight  0.10000E+01 volume  0.27484E-03 ppm1      2.023 ppm2      9.222 CV     1
 ASSI !  230!
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      5.300     3.500     0.700 peak   230 spectrum    1 weight  0.10000E+01 volume  0.25863E-03 ppm1      2.021 ppm2      8.469 CV     1
 ASSI !  231!
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HD2 ))
      3.300     1.300     1.300 peak   231 spectrum    1 weight  0.10000E+01 volume  0.90151E-03 ppm1      8.008 ppm2      7.266 CV     1
 ASSI !  240!
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      5.700     4.000     0.300 peak   240 spectrum    1 weight  0.10000E+01 volume  0.21004E-03 ppm1      8.005 ppm2      9.220 CV     1
 ASSI !  241!
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.700     2.700     3.300 peak   241 spectrum    1 weight  0.10000E+01 volume  0.66132E-02 ppm1      4.796 ppm2      2.884 CV     1
 ASSI !  242!
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.300     1.300     1.300 peak   242 spectrum    1 weight  0.10000E+01 volume  0.44798E-02 ppm1      4.798 ppm2      2.026 CV     1
 ASSI !  243!
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      2.400     0.700     0.700 peak   243 spectrum    1 weight  0.10000E+01 volume  0.49776E-02 ppm1      4.800 ppm2      8.574 CV     1
 ASSI !  244!
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.200     1.300     1.300 peak   244 spectrum    1 weight  0.10000E+01 volume  0.18205E-02 ppm1      4.800 ppm2      9.223 CV     1
 ASSI !  245!
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   245 spectrum    1 weight  0.10000E+01 volume  0.15971E-02 ppm1      2.841 ppm2      8.573 CV     1
 ASSI !  246!
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      4.200     2.200     1.800 peak   246 spectrum    1 weight  0.10000E+01 volume  0.67997E-03 ppm1      2.844 ppm2      9.223 CV     1
 ASSI !  247!
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.300     1.300 peak   247 spectrum    1 weight  0.10000E+01 volume  0.15224E-02 ppm1      2.742 ppm2      8.570 CV     1
 ASSI !  248!
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      4.300     2.300     1.700 peak   248 spectrum    1 weight  0.10000E+01 volume  0.55285E-03 ppm1      2.740 ppm2      9.225 CV     1
 ASSI !  249!
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HD2 ))
      3.800     1.800     1.800 peak   249 spectrum    1 weight  0.10000E+01 volume  0.81662E-03 ppm1      8.572 ppm2      7.263 CV     1
 ASSI !  251!
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.600     1.700     1.700 peak   251 spectrum    1 weight  0.10000E+01 volume  0.72903E-03 ppm1      8.571 ppm2      8.008 CV     1
 ASSI !  255!
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ) or ( segid "    " and resid 17   and name HD2 ))
      5.400     3.600     0.600 peak   255 spectrum    1 weight  0.10000E+01 volume  0.27988E-03 ppm1      8.571 ppm2      1.699 CV     1

 ASSI !  257!
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.000     0.500     0.500 peak   257 spectrum    1 weight  0.10000E+01 volume  0.32302E-02 ppm1      8.571 ppm2      9.223 CV     1
 ASSI !  258!
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      3.800     1.800     1.800 peak   258 spectrum    1 weight  0.10000E+01 volume  0.15094E-02 ppm1      8.572 ppm2      8.469 CV     1
 ASSI !  259!
   (( segid "    " and resid 16   and name HN  ))
   (  segid "    " and resid 19   and name HG2#)
      4.400     2.400     1.600 peak   259 spectrum    1 weight  0.10000E+01 volume  0.61560E-03 ppm1      8.576 ppm2      0.910 CV     1
 ASSI !  260!
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.700     2.800     1.300 peak   260 spectrum    1 weight  0.10000E+01 volume  0.80384E-03 ppm1      4.509 ppm2      8.573 CV     1
 ASSI !  261!
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ) or ( segid "    " and resid 17   and name HB2 ))
      2.200     0.600     0.600 peak   261 spectrum    1 weight  0.10000E+01 volume  0.86581E-02 ppm1      4.510 ppm2      1.908 CV     1
 ASSI !  262!
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HD1 ) or ( segid "    " and resid 17   and name HD2 ))
      3.500     1.500     1.500 peak   262 spectrum    1 weight  0.10000E+01 volume  0.23598E-02 ppm1      4.509 ppm2      1.697 CV     1
 
 ASSI !  263!
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
      3.400     1.500     1.500 peak   263 spectrum    1 weight  0.10000E+01 volume  0.14480E-02 ppm1      4.510 ppm2      1.530 CV     1
 ASSI !  264!
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.200     1.300     1.300 peak   264 spectrum    1 weight  0.10000E+01 volume  0.19714E-02 ppm1      4.510 ppm2      1.417 CV     1
 ASSI !  265!
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.31718E-02 ppm1      4.509 ppm2      9.223 CV     1
 ASSI !  266!
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.100     1.200     1.200 peak   266 spectrum    1 weight  0.10000E+01 volume  0.20573E-02 ppm1      4.510 ppm2      8.467 CV     1
 ASSI !  267!
   (( segid "    " and resid 17   and name HA  ))
   (  segid "    " and resid 19   and name HG2#)
      3.300     1.400     1.400 peak   267 spectrum    1 weight  0.10000E+01 volume  0.19998E-02 ppm1      4.511 ppm2      0.912 CV     1
 ASSI !  268!
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      4.000     2.000     2.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.53698E-03 ppm1      4.512 ppm2      7.276 CV     1
 ASSI !  269!
   (( segid "    " and resid 17   and name HB2 ) or ( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      4.500     2.500     1.500 peak   269 spectrum    1 weight  0.10000E+01 volume  0.12244E-02 ppm1      1.907 ppm2      8.574 CV     1
 ASSI !  270!
   (( segid "    " and resid 17   and name HB2 ) or ( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HE1 ) or ( segid "    " and resid 17   and name HE2 ))
      3.900     1.900     1.900 peak   270 spectrum    1 weight  0.10000E+01 volume  0.11469E-02 ppm1      1.906 ppm2      3.028 CV     1
 ASSI !  273!
   (( segid "    " and resid 17   and name HB2 ) or ( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak   273 spectrum    1 weight  0.10000E+01 volume  0.43315E-02 ppm1      1.904 ppm2      9.220 CV     1
 ASSI !  274!
   (( segid "    " and resid 17   and name HB2 ) or ( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HB1 ))
      4.600     2.600     1.400 peak   274 spectrum    1 weight  0.10000E+01 volume  0.51235E-03 ppm1      1.901 ppm2      2.889 CV     1
 ASSI !  275!
   (( segid "    " and resid 17   and name HB2 ) or ( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HB2 ))
      4.300     2.400     1.700 peak   275 spectrum    1 weight  0.10000E+01 volume  0.53121E-03 ppm1      1.903 ppm2      2.469 CV     1
 ASSI !  276!
   (( segid "    " and resid 17   and name HB2 ) or ( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak   276 spectrum    1 weight  0.10000E+01 volume  0.44259E-02 ppm1      1.904 ppm2      8.468 CV     1
 ASSI !  277!
   (( segid "    " and resid 17   and name HB2 ) or ( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 19   and name HN  ))
      4.300     2.300     1.700 peak   277 spectrum    1 weight  0.10000E+01 volume  0.56216E-03 ppm1      1.902 ppm2      7.275 CV     1
 ASSI !  279!
   (( segid "    " and resid 17   and name HD1 ) or ( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HB1 ) or ( segid "    " and resid 17   and name HB2 ))
      2.800     1.000     1.000 peak   279 spectrum    1 weight  0.10000E+01 volume  0.36231E-02 ppm1      1.696 ppm2      1.907 CV     1

 ASSI !  280!
   (( segid "    " and resid 17   and name HD1 ) or ( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HE1 ) or ( segid "    " and resid 17   and name HE2 ))
      2.200     0.600     0.600 peak   280 spectrum    1 weight  0.10000E+01 volume  0.95422E-02 ppm1      1.700 ppm2      3.028 CV     1
 
 ASSI !  281!
   (( segid "    " and resid 17   and name HD1 ) or ( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HG1 ))
      2.400     0.700     0.700 peak   281 spectrum    1 weight  0.10000E+01 volume  0.46177E-02 ppm1      1.696 ppm2      1.537 CV     1

 ASSI !  282!
   (( segid "    " and resid 17   and name HD1 ) or ( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HG2 ))
      2.400     0.700     0.700 peak   282 spectrum    1 weight  0.10000E+01 volume  0.44486E-02 ppm1      1.698 ppm2      1.412 CV     1

 ASSI !  283!
   (( segid "    " and resid 17   and name HD1 ) or ( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 17   and name HN  ))
      4.000     2.000     2.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.51171E-03 ppm1      1.696 ppm2      9.220 CV     1
 
 ASSI !  289!
   (( segid "    " and resid 17   and name HE1 ) or ( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 17   and name HN  ))
      4.700     2.800     1.300 peak   289 spectrum    1 weight  0.10000E+01 volume  0.22758E-03 ppm1      3.026 ppm2      9.226 CV     1
 ASSI !  290!
   (( segid "    " and resid 17   and name HE1 ) or ( segid "    " and resid 17   and name HE2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.200     3.200     2.800 peak   290 spectrum    1 weight  0.10000E+01 volume  0.24465E-03 ppm1      3.026 ppm2      8.468 CV     1
 ASSI !  291!
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 16   and name HN  ))
      4.700     2.800     1.300 peak   291 spectrum    1 weight  0.10000E+01 volume  0.43747E-03 ppm1      1.522 ppm2      8.572 CV     1
 ASSI !  292!
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HB2 ) or ( segid "    " and resid 17   and name HB1 ))
      2.400     0.700     0.700 peak   292 spectrum    1 weight  0.10000E+01 volume  0.48453E-02 ppm1      1.525 ppm2      1.904 CV     1
 ASSI !  294!
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HE2 ) or ( segid "    " and resid 17   and name HE1 ))
      3.100     1.200     1.200 peak   294 spectrum    1 weight  0.10000E+01 volume  0.21401E-02 ppm1      1.523 ppm2      3.029 CV     1
 ASSI !  295!
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HG2 ))
      1.600     0.300     0.600 peak   295 spectrum    1 weight  0.10000E+01 volume  0.70849E-02 ppm1      1.522 ppm2      1.412 CV     1
 ASSI !  296!
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HN  ))
      3.100     1.200     1.200 peak   296 spectrum    1 weight  0.10000E+01 volume  0.11073E-02 ppm1      1.522 ppm2      9.221 CV     1
 ASSI !  297!
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 18   and name HN  ))
      3.800     1.800     1.800 peak   297 spectrum    1 weight  0.10000E+01 volume  0.97431E-03 ppm1      1.522 ppm2      8.469 CV     1
 ASSI !  298!
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      4.500     2.500     1.500 peak   298 spectrum    1 weight  0.10000E+01 volume  0.44240E-03 ppm1      1.423 ppm2      8.570 CV     1
 ASSI !  299!
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB1 ) or ( segid "    " and resid 17   and name HB2 ))
      2.400     0.700     0.700 peak   299 spectrum    1 weight  0.10000E+01 volume  0.49749E-02 ppm1      1.421 ppm2      1.909 CV     1
 ASSI !  301!
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HE1 ) or ( segid "    " and resid 17   and name HE2 ))
      3.100     1.200     1.200 peak   301 spectrum    1 weight  0.10000E+01 volume  0.18005E-02 ppm1      1.420 ppm2      3.028 CV     1
 ASSI !  303!
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.100     1.200     1.200 peak   303 spectrum    1 weight  0.10000E+01 volume  0.95390E-03 ppm1      1.422 ppm2      9.221 CV     1
 ASSI !  304!
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 18   and name HN  ))
      4.200     2.200     1.800 peak   304 spectrum    1 weight  0.10000E+01 volume  0.67253E-03 ppm1      1.418 ppm2      8.468 CV     1
 ASSI !  315!
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.200     0.600     0.600 peak   315 spectrum    1 weight  0.10000E+01 volume  0.44710E-02 ppm1      9.220 ppm2      8.466 CV     1
 ASSI !  318!
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB1 ))
      2.900     1.100     1.100 peak   318 spectrum    1 weight  0.10000E+01 volume  0.25876E-02 ppm1      4.682 ppm2      2.888 CV     1
 ASSI !  319!
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.000     1.100     1.100 peak   319 spectrum    1 weight  0.10000E+01 volume  0.24435E-02 ppm1      4.683 ppm2      2.473 CV     1
 ASSI !  320!
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.21965E-02 ppm1      4.682 ppm2      8.468 CV     1
 ASSI !  322!
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HB2 ))
      2.100     0.500     0.500 peak   322 spectrum    1 weight  0.10000E+01 volume  0.36642E-02 ppm1      2.883 ppm2      2.469 CV     1
 ASSI !  323!
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
      3.100     1.200     1.200 peak   323 spectrum    1 weight  0.10000E+01 volume  0.26731E-02 ppm1      2.886 ppm2      8.467 CV     1
 ASSI !  325!
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      4.400     2.400     1.600 peak   325 spectrum    1 weight  0.10000E+01 volume  0.76835E-03 ppm1      2.470 ppm2      9.221 CV     1
 ASSI !  327!
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.26342E-02 ppm1      2.468 ppm2      8.467 CV     1
 ASSI !  328!
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 19   and name HN  ))
      3.600     1.600     1.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.15739E-02 ppm1      2.467 ppm2      7.278 CV     1
 ASSI !  332!
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ) or ( segid "    " and resid 17   and name HD2 ))
      3.200     1.300     1.300 peak   332 spectrum    1 weight  0.10000E+01 volume  0.24109E-03 ppm1      8.468 ppm2      1.697 CV     1
 
 ASSI !  339!
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.100     1.100 peak   339 spectrum    1 weight  0.10000E+01 volume  0.13531E-02 ppm1      8.468 ppm2      7.274 CV     1
 ASSI !  340!
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HG1 ))
      3.600     1.700     1.700 peak   340 spectrum    1 weight  0.10000E+01 volume  0.13808E-02 ppm1      4.257 ppm2      6.396 CV     1
 ASSI !  341!
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 19   and name HG2#)
      3.000     1.200     1.200 peak   341 spectrum    1 weight  0.10000E+01 volume  0.41087E-02 ppm1      4.255 ppm2      0.907 CV     1
 ASSI !  342!
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
      3.000     1.100     1.100 peak   342 spectrum    1 weight  0.10000E+01 volume  0.16171E-02 ppm1      4.253 ppm2      7.276 CV     1
 ASSI !  343!
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 18   and name HN  ))
      5.000     3.100     1.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.37008E-03 ppm1      3.873 ppm2      8.471 CV     1
 ASSI !  344!
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 19   and name HA  ))
      2.800     1.000     1.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.19485E-02 ppm1      3.876 ppm2      4.252 CV     1
 ASSI !  345!
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 19   and name HG1 ))
      3.300     1.400     1.400 peak   345 spectrum    1 weight  0.10000E+01 volume  0.74933E-03 ppm1      3.877 ppm2      6.396 CV     1
 ASSI !  346!
   (( segid "    " and resid 19   and name HB  ))
   (  segid "    " and resid 19   and name HG2#)
      2.400     0.700     0.700 peak   346 spectrum    1 weight  0.10000E+01 volume  0.62235E-02 ppm1      3.873 ppm2      0.910 CV     1
 ASSI !  347!
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 19   and name HN  ))
      3.600     1.600     1.600 peak   347 spectrum    1 weight  0.10000E+01 volume  0.11770E-02 ppm1      3.875 ppm2      7.278 CV     1
 ASSI !  348!
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 20   and name HN  ))
      3.300     1.400     1.400 peak   348 spectrum    1 weight  0.10000E+01 volume  0.25438E-02 ppm1      3.873 ppm2      7.851 CV     1
 ASSI !  352!
   (( segid "    " and resid 19   and name HG1 ))
   (( segid "    " and resid 19   and name HN  ))
      5.200     3.300     0.800 peak   352 spectrum    1 weight  0.10000E+01 volume  0.23643E-03 ppm1      6.401 ppm2      7.277 CV     1
! Unsurpressed 13C-bound proton signal for peak 354 in isotope filtered 2D-NOESY ?? 
! Only upper limit of 6.0 Angstrom set for the distance restraint between HB1 D16 and HG2# T19, 
! to be sure of not creating incorrect structures. Restraint can be removed when necessary.
 ASSI !  354!
   (  segid "    " and resid 19   and name HG2#)
   (( segid "    " and resid 16   and name HB1 ))
      6.000     6.000     0.000 peak   354 spectrum    1 weight  0.10000E+01 volume  0.12632E-02 ppm1      0.913 ppm2      2.855 CV     1
! Unsurpressed signal in filtered NOESY  
 ASSI !  355!
   (  segid "    " and resid 19   and name HG2#)
   (( segid "    " and resid 16   and name HB2 ))
      6.000     6.000     0.000 peak   355 spectrum    1 weight  0.10000E+01 volume  0.79941E-03 ppm1      0.911 ppm2      2.740 CV     1
 ASSI !  357!
   (  segid "    " and resid 19   and name HG2#)
   (( segid "    " and resid 17   and name HN  ))
      3.400     1.400     1.400 peak   357 spectrum    1 weight  0.10000E+01 volume  0.13780E-02 ppm1      0.912 ppm2      9.224 CV     1
 ASSI !  358!
   (  segid "    " and resid 19   and name HG2#)
   (( segid "    " and resid 18   and name HN  ))
      3.500     1.500     1.500 peak   358 spectrum    1 weight  0.10000E+01 volume  0.16118E-02 ppm1      0.909 ppm2      8.472 CV     1
 ASSI !  361!
   (  segid "    " and resid 19   and name HG2#)
   (( segid "    " and resid 19   and name HG1 ))
      3.500     1.500     1.500 peak   361 spectrum    1 weight  0.10000E+01 volume  0.11847E-02 ppm1      0.913 ppm2      6.399 CV     1
 ASSI !  362!
   (  segid "    " and resid 19   and name HG2#)
   (( segid "    " and resid 19   and name HN  ))
      2.600     0.800     0.800 peak   362 spectrum    1 weight  0.10000E+01 volume  0.38038E-02 ppm1      0.908 ppm2      7.280 CV     1
 ASSI !  363!
   (  segid "    " and resid 19   and name HG2#)
   (( segid "    " and resid 20   and name HN  ))
      3.700     1.700     1.700 peak   363 spectrum    1 weight  0.10000E+01 volume  0.17906E-02 ppm1      0.908 ppm2      7.854 CV     1
 ASSI !  365!
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      4.400     2.400     1.600 peak   365 spectrum    1 weight  0.10000E+01 volume  0.43173E-03 ppm1      7.273 ppm2      9.224 CV     1
 ASSI !  366!
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.400     1.400     1.400 peak   366 spectrum    1 weight  0.10000E+01 volume  0.21161E-02 ppm1      7.275 ppm2      2.890 CV     1
 ASSI !  372!
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.900     1.100     1.100 peak   372 spectrum    1 weight  0.10000E+01 volume  0.14202E-02 ppm1      4.253 ppm2      1.054 CV     1
 ASSI !  373!
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.900     1.100     1.100 peak   373 spectrum    1 weight  0.10000E+01 volume  0.19497E-02 ppm1      4.253 ppm2      0.046 CV     1
 ASSI !  374!
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HD1# ) or ( segid "    " and resid 20   and name HD2# ))
      2.600     0.800     0.800 peak   374 spectrum    1 weight  0.10000E+01 volume  0.95708E-02 ppm1      4.255 ppm2      0.868 CV     1
 ASSI !  375!
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
      4.900     3.000     1.100 peak   375 spectrum    1 weight  0.10000E+01 volume  0.29858E-03 ppm1      4.254 ppm2      5.391 CV     1
 ASSI !  376!
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HB1 ))
      4.700     2.700     1.300 peak   376 spectrum    1 weight  0.10000E+01 volume  0.69566E-03 ppm1      4.255 ppm2      2.936 CV     1
 ASSI !  377!
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      4.600     2.600     1.400 peak   377 spectrum    1 weight  0.10000E+01 volume  0.68320E-03 ppm1      4.253 ppm2      2.432 CV     1
 ASSI !  380!
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HD1# ) or ( segid "    " and resid 20   and name HD2# ))
      2.600     0.800     0.800 peak   380 spectrum    1 weight  0.10000E+01 volume  0.55440E-02 ppm1      1.052 ppm2      0.865 CV     1
 ASSI !  381!
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HN  ))
      3.600     1.600     1.600 peak   381 spectrum    1 weight  0.10000E+01 volume  0.10060E-02 ppm1      1.053 ppm2      7.854 CV     1
 ASSI !  382!
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 21   and name HN  ))
      3.500     1.600     1.600 peak   382 spectrum    1 weight  0.10000E+01 volume  0.59135E-03 ppm1      1.056 ppm2      8.470 CV     1
 ASSI !  383!
   (( segid "    " and resid 20   and name HB1 ))
   (  segid "    " and resid 22   and name HD1#)
      3.500     1.500     1.500 peak   383 spectrum    1 weight  0.10000E+01 volume  0.51966E-03 ppm1      1.050 ppm2      0.604 CV     1
 ASSI !  385!
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HB1 ))
      1.900     0.400     0.400 peak   385 spectrum    1 weight  0.10000E+01 volume  0.26937E-02 ppm1      0.044 ppm2      1.055 CV     1
 ASSI !  386!
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HD1# ) or ( segid "    " and resid 20   and name HD2# ))
      2.600     0.800     0.800 peak   386 spectrum    1 weight  0.10000E+01 volume  0.54434E-02 ppm1      0.039 ppm2      0.865 CV     1
 ASSI !  387!
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      3.100     1.200     1.200 peak   387 spectrum    1 weight  0.10000E+01 volume  0.96631E-03 ppm1      0.041 ppm2      7.852 CV     1
 ASSI !  388!
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      4.000     2.000     2.000 peak   388 spectrum    1 weight  0.10000E+01 volume  0.80528E-03 ppm1      0.042 ppm2      8.473 CV     1
 ASSI !  389!
   (( segid "    " and resid 20   and name HD1# ) or ( segid "    " and resid 20   and name HD2# ))
   (( segid "    " and resid 19   and name HG1 ))
      2.800     2.800     3.200 peak   389 spectrum    1 weight  0.10000E+01 volume  0.56712E-03 ppm1      0.866 ppm2      6.400 CV     1
! Removed restraint HN Thr19 to (HD1# or HD2#) Leu20, small peak mainly due to spin diffusion
! ASSI !  390!
!   (( segid "    " and resid 20   and name HD1# ) or ( segid "    " and resid 20   and name HD2# ))
!   (( segid "    " and resid 19   and name HN  ))
!      2.800     2.800     3.200 peak   390 spectrum    1 weight  0.10000E+01 volume  0.52625E-03 ppm1      0.866 ppm2      7.280 CV     1
 ASSI !  395!
   (( segid "    " and resid 20   and name HD1# ) or ( segid "    " and resid 20   and name HD2# ))
   (( segid "    " and resid 20   and name HN  ))
      3.700     1.700     1.700 peak   395 spectrum    1 weight  0.10000E+01 volume  0.19701E-02 ppm1      0.866 ppm2      7.852 CV     1

 ASSI !  397!
   (( segid "    " and resid 20   and name HD1# ) or ( segid "    " and resid 20   and name HD2# ))
   (( segid "    " and resid 21   and name HB1 ))
      5.200     3.400     0.800 peak   397 spectrum    1 weight  0.10000E+01 volume  0.46278E-03 ppm1      0.862 ppm2      2.945 CV     1
 ASSI !  398!
   (( segid "    " and resid 20   and name HD1# ) or ( segid "    " and resid 20   and name HD2# ))
   (( segid "    " and resid 21   and name HB2 ))
      4.900     3.000     1.100 peak   398 spectrum    1 weight  0.10000E+01 volume  0.53946E-03 ppm1      0.867 ppm2      2.438 CV     1
 ASSI !  399!
   (( segid "    " and resid 20   and name HD1# ) or ( segid "    " and resid 20   and name HD2# ))
   (( segid "    " and resid 21   and name HN  ))
      3.100     1.200     1.200 peak   399 spectrum    1 weight  0.10000E+01 volume  0.54100E-02 ppm1      0.866 ppm2      8.470 CV     1
 ASSI !  400!
   (( segid "    " and resid 20   and name HD1# ) or ( segid "    " and resid 20   and name HD2# ))
   (( segid "    " and resid 22   and name HB1 ))
      5.700     4.000     0.300 peak   400 spectrum    1 weight  0.10000E+01 volume  0.42557E-03 ppm1      0.867 ppm2      1.621 CV     1
 ASSI !  401!
   (( segid "    " and resid 20   and name HD1# ) or ( segid "    " and resid 20   and name HD2# ))
   (( segid "    " and resid 22   and name HB2 ))
      4.100     2.100     1.900 peak   401 spectrum    1 weight  0.10000E+01 volume  0.15114E-02 ppm1      0.867 ppm2      1.521 CV     1
 ASSI !  402!
   (( segid "    " and resid 20   and name HD1# ) or ( segid "    " and resid 20   and name HD2# ))
   (  segid "    " and resid 22   and name HD1#)
      2.600     0.900     0.900 peak   402 spectrum    1 weight  0.10000E+01 volume  0.78412E-02 ppm1      0.864 ppm2      0.602 CV     1
 ASSI !  403!
   (( segid "    " and resid 20   and name HD1# ) or ( segid "    " and resid 20   and name HD2# ))
   (  segid "    " and resid 22   and name HD2#)
      3.700     1.700     1.700 peak   403 spectrum    1 weight  0.10000E+01 volume  0.20497E-02 ppm1      0.866 ppm2      0.187 CV     1
 ASSI !  404!
   (( segid "    " and resid 20   and name HD1# ) or ( segid "    " and resid 20   and name HD2# ))
   (( segid "    " and resid 22   and name HN  ))
      5.000     3.100     1.000 peak   404 spectrum    1 weight  0.10000E+01 volume  0.39110E-03 ppm1      0.865 ppm2      9.082 CV     1
 ASSI !  405!
   (( segid "    " and resid 20   and name HG  ))
   (( segid "    " and resid 20   and name HB2 ))
      3.300     1.300     1.300 peak   405 spectrum    1 weight  0.10000E+01 volume  0.80803E-03 ppm1      1.192 ppm2      0.039 CV     1
 ASSI !  406!
   (( segid "    " and resid 20   and name HG  ))
   (( segid "    " and resid 20   and name HD1# ) or ( segid "    " and resid 20   and name HD2# ))
      2.200     0.600     0.600 peak   406 spectrum    1 weight  0.10000E+01 volume  0.71609E-02 ppm1      1.195 ppm2      0.863 CV     1
 ASSI !  407!
   (( segid "    " and resid 20   and name HG  ))
   (( segid "    " and resid 20   and name HN  ))
      4.100     2.100     1.900 peak   407 spectrum    1 weight  0.10000E+01 volume  0.42685E-03 ppm1      1.193 ppm2      7.847 CV     1
 ASSI !  408!
   (( segid "    " and resid 20   and name HG  ))
   (( segid "    " and resid 21   and name HN  ))
      3.900     1.900     1.900 peak   408 spectrum    1 weight  0.10000E+01 volume  0.10834E-02 ppm1      1.192 ppm2      8.468 CV     1
 ASSI !  409!
   (( segid "    " and resid 20   and name HG  ))
   (  segid "    " and resid 22   and name HD1#)
      3.400     1.500     1.500 peak   409 spectrum    1 weight  0.10000E+01 volume  0.15005E-02 ppm1      1.196 ppm2      0.604 CV     1
 ASSI !  411!
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HG1 ))
      3.600     1.600     1.600 peak   411 spectrum    1 weight  0.10000E+01 volume  0.85212E-03 ppm1      7.855 ppm2      6.399 CV     1
 ASSI !  413!
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.600     1.700     1.700 peak   413 spectrum    1 weight  0.10000E+01 volume  0.84428E-03 ppm1      7.842 ppm2      7.274 CV     1
 ASSI !  414!
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.400     1.400     1.400 peak   414 spectrum    1 weight  0.10000E+01 volume  0.80565E-03 ppm1      7.856 ppm2      4.255 CV     1
 ASSI !  418!
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.500     2.500     1.500 peak   418 spectrum    1 weight  0.10000E+01 volume  0.48327E-03 ppm1      7.849 ppm2      8.468 CV     1
 ASSI !  420!
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HD1# ) or ( segid "    " and resid 20   and name HD2# ))
      4.700     2.800     1.300 peak   420 spectrum    1 weight  0.10000E+01 volume  0.68488E-03 ppm1      5.391 ppm2      0.868 CV     1
 ASSI !  421!
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.000     3.000     3.000 peak   421 spectrum    1 weight  0.10000E+01 volume  0.34764E-03 ppm1      5.393 ppm2      7.850 CV     1
 ASSI !  422!
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB1 ))
      2.900     1.100     1.100 peak   422 spectrum    1 weight  0.10000E+01 volume  0.15542E-02 ppm1      5.391 ppm2      2.941 CV     1
 ASSI !  423!
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.100     1.200     1.200 peak   423 spectrum    1 weight  0.10000E+01 volume  0.17176E-02 ppm1      5.391 ppm2      2.430 CV     1
 ASSI !  424!
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.900     1.100     1.100 peak   424 spectrum    1 weight  0.10000E+01 volume  0.14974E-02 ppm1      5.390 ppm2      8.468 CV     1
 ASSI !  425!
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
      5.900     4.300     0.100 peak   425 spectrum    1 weight  0.10000E+01 volume  0.50816E-03 ppm1      5.389 ppm2      1.617 CV     1
 ASSI !  426!
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      4.200     2.200     1.800 peak   426 spectrum    1 weight  0.10000E+01 volume  0.11777E-02 ppm1      5.387 ppm2      1.523 CV     1
 ASSI !  427!
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 22   and name HD1#)
      4.200     2.200     1.800 peak   427 spectrum    1 weight  0.10000E+01 volume  0.63192E-03 ppm1      5.388 ppm2      0.601 CV     1
 ASSI !  428!
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 22   and name HD2#)
      5.800     4.200     0.200 peak   428 spectrum    1 weight  0.10000E+01 volume  0.66834E-03 ppm1      5.388 ppm2      0.185 CV     1
 ASSI !  429!
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.200     0.600     0.600 peak   429 spectrum    1 weight  0.10000E+01 volume  0.30851E-02 ppm1      5.389 ppm2      9.077 CV     1
 ASSI !  430!
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      3.900     1.900     1.900 peak   430 spectrum    1 weight  0.10000E+01 volume  0.65908E-03 ppm1      5.392 ppm2      8.767 CV     1
 ASSI !  434!
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HN  ))
      3.100     1.200     1.200 peak   434 spectrum    1 weight  0.10000E+01 volume  0.23731E-02 ppm1      2.936 ppm2      8.472 CV     1
 ASSI !  435!
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
      4.800     2.900     1.200 peak   435 spectrum    1 weight  0.10000E+01 volume  0.51291E-03 ppm1      2.938 ppm2      9.076 CV     1
 ASSI !  436!
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 23   and name HD21))
      4.700     2.800     1.300 peak   436 spectrum    1 weight  0.10000E+01 volume  0.35871E-03 ppm1      2.940 ppm2      7.836 CV     1
 ASSI !  437!
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      5.400     3.600     0.600 peak   437 spectrum    1 weight  0.10000E+01 volume  0.18703E-03 ppm1      2.935 ppm2      8.769 CV     1
 ASSI !  440!
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HB1 ))
      1.900     0.400     0.400 peak   440 spectrum    1 weight  0.10000E+01 volume  0.63918E-02 ppm1      2.429 ppm2      2.938 CV     1
 ASSI !  441!
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.900     1.100     1.100 peak   441 spectrum    1 weight  0.10000E+01 volume  0.26859E-02 ppm1      2.429 ppm2      8.472 CV     1
 ASSI !  442!
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      4.700     2.800     1.300 peak   442 spectrum    1 weight  0.10000E+01 volume  0.62771E-03 ppm1      2.427 ppm2      9.076 CV     1
 ASSI !  443!
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 23   and name HD21))
      4.900     3.000     1.100 peak   443 spectrum    1 weight  0.10000E+01 volume  0.39542E-03 ppm1      2.432 ppm2      7.840 CV     1
 ASSI !  444!
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      5.400     3.700     0.600 peak   444 spectrum    1 weight  0.10000E+01 volume  0.22998E-03 ppm1      2.424 ppm2      8.764 CV     1
 ASSI !  445!
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.000     1.100     1.100 peak   445 spectrum    1 weight  0.10000E+01 volume  0.13795E-02 ppm1      8.469 ppm2      4.258 CV     1
 ASSI !  453!
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 22   and name HD1#)
      4.000     2.000     2.000 peak   453 spectrum    1 weight  0.10000E+01 volume  0.38438E-03 ppm1      8.467 ppm2      0.607 CV     1
 ASSI !  454!
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      4.300     2.300     1.700 peak   454 spectrum    1 weight  0.10000E+01 volume  0.45302E-03 ppm1      8.470 ppm2      9.081 CV     1
 ASSI !  455!
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.800     0.900     0.900 peak   455 spectrum    1 weight  0.10000E+01 volume  0.19895E-02 ppm1      4.296 ppm2      1.621 CV     1
 ASSI !  456!
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.700     0.900     0.900 peak   456 spectrum    1 weight  0.10000E+01 volume  0.41476E-02 ppm1      4.296 ppm2      1.519 CV     1
 ASSI !  457!
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD1#)
      2.400     0.700     0.700 peak   457 spectrum    1 weight  0.10000E+01 volume  0.95796E-02 ppm1      4.296 ppm2      0.604 CV     1
 ASSI !  458!
   (( segid "    " and resid 22   and name HA  ))
   (  segid "    " and resid 22   and name HD2#)
      4.100     2.100     1.900 peak   458 spectrum    1 weight  0.10000E+01 volume  0.24611E-02 ppm1      4.297 ppm2      0.184 CV     1
 ASSI !  459!
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      3.000     1.100     1.100 peak   459 spectrum    1 weight  0.10000E+01 volume  0.12723E-02 ppm1      4.294 ppm2      9.077 CV     1
 ASSI !  460!
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      3.100     1.200     1.200 peak   460 spectrum    1 weight  0.10000E+01 volume  0.12991E-02 ppm1      4.298 ppm2      8.766 CV     1
 ASSI !  464!
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 22   and name HD2#)
      2.600     0.800     0.800 peak   464 spectrum    1 weight  0.10000E+01 volume  0.36082E-02 ppm1      1.632 ppm2      0.182 CV     1
 ASSI !  465!
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
      3.600     1.600     1.600 peak   465 spectrum    1 weight  0.10000E+01 volume  0.13811E-02 ppm1      1.621 ppm2      9.078 CV     1
 ASSI !  466!
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HD21))
      5.700     4.000     0.300 peak   466 spectrum    1 weight  0.10000E+01 volume  0.22660E-03 ppm1      1.621 ppm2      7.839 CV     1
 ASSI !  467!
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      4.400     2.400     1.600 peak   467 spectrum    1 weight  0.10000E+01 volume  0.40124E-03 ppm1      1.618 ppm2      8.770 CV     1
 ASSI !  468!
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 20   and name HB1 ))
      4.800     2.800     1.200 peak   468 spectrum    1 weight  0.10000E+01 volume  0.30362E-03 ppm1      1.522 ppm2      1.053 CV     1
 ASSI !  471!
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HB1 ))
      1.600     0.300     0.600 peak   471 spectrum    1 weight  0.10000E+01 volume  0.76932E-02 ppm1      1.520 ppm2      1.624 CV     1
 ASSI !  472!
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.200     0.600     0.600 peak   472 spectrum    1 weight  0.10000E+01 volume  0.28572E-02 ppm1      1.520 ppm2      9.077 CV     1
 ASSI !  473!
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HD21))
      4.800     2.900     1.200 peak   473 spectrum    1 weight  0.10000E+01 volume  0.37870E-03 ppm1      1.521 ppm2      7.839 CV     1
 ASSI !  474!
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      3.500     1.600     1.600 peak   474 spectrum    1 weight  0.10000E+01 volume  0.97049E-03 ppm1      1.522 ppm2      8.768 CV     1
 ASSI !  476!
   (  segid "    " and resid 22   and name HD1#)
   (( segid "    " and resid 20   and name HN  ))
      2.900     1.100     1.100 peak   476 spectrum    1 weight  0.10000E+01 volume  0.39310E-03 ppm1      0.605 ppm2      7.846 CV     1
 ASSI !  480!
   (  segid "    " and resid 22   and name HD1#)
   (( segid "    " and resid 22   and name HB1 ))
      3.500     1.500     1.500 peak   480 spectrum    1 weight  0.10000E+01 volume  0.32048E-02 ppm1      0.604 ppm2      1.620 CV     1
 ASSI !  481!
   (  segid "    " and resid 22   and name HD1#)
   (( segid "    " and resid 22   and name HB2 ))
      2.200     0.600     0.600 peak   481 spectrum    1 weight  0.10000E+01 volume  0.85228E-02 ppm1      0.604 ppm2      1.521 CV     1
 ASSI !  482!
   (  segid "    " and resid 22   and name HD1#)
   (  segid "    " and resid 22   and name HD2#)
      2.200     0.600     0.600 peak   482 spectrum    1 weight  0.10000E+01 volume  0.15015E-01 ppm1      0.604 ppm2      0.185 CV     1
 ASSI !  483!
   (  segid "    " and resid 22   and name HD1#)
   (( segid "    " and resid 22   and name HN  ))
      2.900     1.100     1.100 peak   483 spectrum    1 weight  0.10000E+01 volume  0.16161E-02 ppm1      0.604 ppm2      9.077 CV     1
 ASSI !  484!
   (  segid "    " and resid 22   and name HD1#)
   (( segid "    " and resid 23   and name HN  ))
      2.700     2.700     3.300 peak   484 spectrum    1 weight  0.10000E+01 volume  0.60356E-03 ppm1      0.601 ppm2      8.770 CV     1
 ASSI !  486!
   (  segid "    " and resid 22   and name HD2#)
   (( segid "    " and resid 20   and name HN  ))
      3.100     3.100     2.900 peak   486 spectrum    1 weight  0.10000E+01 volume  0.27943E-03 ppm1      0.183 ppm2      7.844 CV     1
 ASSI !  488!
   (  segid "    " and resid 22   and name HD2#)
   (( segid "    " and resid 21   and name HN  ))
      3.300     3.300     2.700 peak   488 spectrum    1 weight  0.10000E+01 volume  0.20560E-03 ppm1      0.184 ppm2      8.472 CV     1
 ASSI !  491!
   (  segid "    " and resid 22   and name HD2#)
   (( segid "    " and resid 22   and name HB2 ))
      2.400     0.700     0.700 peak   491 spectrum    1 weight  0.10000E+01 volume  0.88921E-02 ppm1      0.185 ppm2      1.521 CV     1
 ASSI !  494!
   (  segid "    " and resid 22   and name HD2#)
   (( segid "    " and resid 23   and name HN  ))
      2.800     2.800     3.200 peak   494 spectrum    1 weight  0.10000E+01 volume  0.50995E-03 ppm1      0.185 ppm2      8.768 CV     1
 ASSI !  495!
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 22   and name HD1#)
      2.100     0.600     0.600 peak   495 spectrum    1 weight  0.10000E+01 volume  0.85509E-02 ppm1      1.527 ppm2      0.604 CV     1
 ASSI !  496!
   (( segid "    " and resid 22   and name HG  ))
   (  segid "    " and resid 22   and name HD2#)
      2.100     0.600     0.600 peak   496 spectrum    1 weight  0.10000E+01 volume  0.99760E-02 ppm1      1.530 ppm2      0.185 CV     1
 ASSI !  505!
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HD2#)
      4.500     2.500     1.500 peak   505 spectrum    1 weight  0.10000E+01 volume  0.13840E-02 ppm1      9.078 ppm2      0.186 CV     1
 ASSI !  506!
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      6.000     4.600     0.000 peak   506 spectrum    1 weight  0.10000E+01 volume  0.24204E-03 ppm1      9.078 ppm2      2.849 CV     1
 ASSI !  507!
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      5.400     3.600     0.600 peak   507 spectrum    1 weight  0.10000E+01 volume  0.34335E-03 ppm1      9.075 ppm2      2.783 CV     1
 ASSI !  508!
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HD21))
      4.500     2.500     1.500 peak   508 spectrum    1 weight  0.10000E+01 volume  0.18669E-03 ppm1      9.076 ppm2      7.844 CV     1
 ASSI !  509!
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.500     0.800     0.800 peak   509 spectrum    1 weight  0.10000E+01 volume  0.11823E-02 ppm1      9.078 ppm2      8.768 CV     1
 ASSI !  510!
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      4.500     2.500     1.500 peak   510 spectrum    1 weight  0.10000E+01 volume  0.40593E-03 ppm1      4.723 ppm2      1.521 CV     1
 ASSI !  511!
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.300     0.700     0.700 peak   511 spectrum    1 weight  0.10000E+01 volume  0.64270E-02 ppm1      4.726 ppm2      2.847 CV     1
 ASSI !  512!
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.900     1.100     1.100 peak   512 spectrum    1 weight  0.10000E+01 volume  0.38536E-02 ppm1      4.726 ppm2      2.790 CV     1
 ASSI !  513!
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
      2.600     0.800     0.800 peak   513 spectrum    1 weight  0.10000E+01 volume  0.29439E-02 ppm1      4.721 ppm2      8.767 CV     1
 ASSI !  514!
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak   514 spectrum    1 weight  0.10000E+01 volume  0.40543E-02 ppm1      4.723 ppm2      7.835 CV     1
 ASSI !  515!
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HD22))
      4.200     2.200     1.800 peak   515 spectrum    1 weight  0.10000E+01 volume  0.11251E-02 ppm1      2.837 ppm2      6.930 CV     1
 ASSI !  516!
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
      3.300     1.400     1.400 peak   516 spectrum    1 weight  0.10000E+01 volume  0.19223E-02 ppm1      2.839 ppm2      8.768 CV     1
 ASSI !  517!
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 24   and name HN  ))
      3.600     1.600     1.600 peak   517 spectrum    1 weight  0.10000E+01 volume  0.19908E-02 ppm1      2.841 ppm2      7.838 CV     1
 ASSI !  519!
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HD21))
      2.600     0.900     0.900 peak   519 spectrum    1 weight  0.10000E+01 volume  0.26412E-02 ppm1      2.789 ppm2      7.839 CV     1
 ASSI !  520!
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HD22))
      3.800     1.800     1.800 peak   520 spectrum    1 weight  0.10000E+01 volume  0.15862E-02 ppm1      2.789 ppm2      6.929 CV     1
 ASSI !  521!
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.800     1.000     1.000 peak   521 spectrum    1 weight  0.10000E+01 volume  0.24243E-02 ppm1      2.790 ppm2      8.767 CV     1
 ASSI !  522!
   (( segid "    " and resid 23   and name HD21))
   (  segid "    " and resid 22   and name HD1#)
      3.200     3.200     2.800 peak   522 spectrum    1 weight  0.10000E+01 volume  0.24268E-03 ppm1      7.841 ppm2      0.603 CV     1
 ASSI !  524!
   (( segid "    " and resid 23   and name HD21))
   (( segid "    " and resid 23   and name HB1 ))
      3.200     1.200     1.200 peak   524 spectrum    1 weight  0.10000E+01 volume  0.19155E-02 ppm1      7.840 ppm2      2.845 CV     1
 ASSI !  525!
   (( segid "    " and resid 23   and name HD21))
   (( segid "    " and resid 23   and name HD22))
      1.400     0.200     0.800 peak   525 spectrum    1 weight  0.10000E+01 volume  0.29410E-01 ppm1      7.844 ppm2      6.931 CV     1
 ASSI !  529!
   (( segid "    " and resid 23   and name HD22))
   (( segid "    " and resid 23   and name HN  ))
      4.900     3.000     1.100 peak   529 spectrum    1 weight  0.10000E+01 volume  0.33582E-03 ppm1      6.931 ppm2      8.766 CV     1
 ASSI !  538!
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HD21))
      2.600     0.800     0.800 peak   538 spectrum    1 weight  0.10000E+01 volume  0.13620E-02 ppm1      8.764 ppm2      7.841 CV     1
 ASSI !  540!
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.900     1.000     1.000 peak   540 spectrum    1 weight  0.10000E+01 volume  0.99176E-03 ppm1      8.764 ppm2      7.831 CV     1
 ASSI !  541!
   (( segid "    " and resid 24   and name HA  ))
   (  segid "    " and resid 24   and name HG2#)
      2.500     0.800     0.800 peak   541 spectrum    1 weight  0.10000E+01 volume  0.79946E-02 ppm1      4.529 ppm2      1.229 CV     1
 ASSI !  542!
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak   542 spectrum    1 weight  0.10000E+01 volume  0.24775E-02 ppm1      4.530 ppm2      7.833 CV     1
 ASSI !  543!
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HG1 ))
      5.000     3.100     1.000 peak   543 spectrum    1 weight  0.10000E+01 volume  0.84521E-03 ppm1      4.530 ppm2      2.035 CV     1
 ASSI !  544!
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 23   and name HN  ))
      5.700     4.000     0.300 peak   544 spectrum    1 weight  0.10000E+01 volume  0.23729E-03 ppm1      4.120 ppm2      8.767 CV     1
 ASSI !  545!
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HA  ))
      2.800     1.000     1.000 peak   545 spectrum    1 weight  0.10000E+01 volume  0.16032E-02 ppm1      4.119 ppm2      4.524 CV     1
 ASSI !  546!
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 24   and name HG2#)
      2.000     0.500     0.500 peak   546 spectrum    1 weight  0.10000E+01 volume  0.18783E-01 ppm1      4.121 ppm2      1.230 CV     1
 ASSI !  547!
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HN  ))
      3.100     1.200     1.200 peak   547 spectrum    1 weight  0.10000E+01 volume  0.28343E-02 ppm1      4.122 ppm2      7.831 CV     1
 ASSI !  548!
   (  segid "    " and resid 24   and name HG2#)
   (( segid "    " and resid 22   and name HN  ))
      3.300     3.300     2.700 peak   548 spectrum    1 weight  0.10000E+01 volume  0.18361E-03 ppm1      1.231 ppm2      9.078 CV     1
 ASSI !  549!
   (  segid "    " and resid 24   and name HG2#)
   (( segid "    " and resid 23   and name HB1 ))
      3.200     1.200     1.200 peak   549 spectrum    1 weight  0.10000E+01 volume  0.26051E-03 ppm1      1.232 ppm2      2.845 CV     1
 ASSI !  550!
   (  segid "    " and resid 24   and name HG2#)
   (( segid "    " and resid 23   and name HB2 ))
      3.700     1.700     1.700 peak   550 spectrum    1 weight  0.10000E+01 volume  0.45614E-03 ppm1      1.230 ppm2      2.780 CV     1
 ASSI !  551!
   (  segid "    " and resid 24   and name HG2#)
   (( segid "    " and resid 23   and name HD21))
      2.300     2.300     3.700 peak   551 spectrum    1 weight  0.10000E+01 volume  0.18153E-02 ppm1      1.232 ppm2      7.840 CV     1
 ASSI !  552!
   (  segid "    " and resid 24   and name HG2#)
   (( segid "    " and resid 23   and name HN  ))
      4.800     2.900     1.200 peak   552 spectrum    1 weight  0.10000E+01 volume  0.25495E-03 ppm1      1.234 ppm2      8.769 CV     1
 ASSI !  555!
   (  segid "    " and resid 24   and name HG2#)
   (( segid "    " and resid 24   and name HN  ))
      3.000     1.100     1.100 peak   555 spectrum    1 weight  0.10000E+01 volume  0.21589E-02 ppm1      1.232 ppm2      7.824 CV     1
 ASSI !  557!
   (  segid "    " and resid 24   and name HG2#)
   (( segid "    " and resid 25   and name HG1 ))
      3.400     1.400     1.400 peak   557 spectrum    1 weight  0.10000E+01 volume  0.85911E-02 ppm1      1.238 ppm2      2.032 CV     1
 ASSI !  558!
   (  segid "    " and resid 24   and name HG2#)
   (( segid "    " and resid 25   and name HB2 ))
      4.200     2.200     1.800 peak   558 spectrum    1 weight  0.10000E+01 volume  0.35356E-02 ppm1      1.231 ppm2      1.882 CV     1
 ASSI !  562!
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.200     0.600     0.600 peak   562 spectrum    1 weight  0.10000E+01 volume  0.43824E-02 ppm1      4.440 ppm2      2.280 CV     1
 ASSI !  563!
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.700     0.900     0.900 peak   563 spectrum    1 weight  0.10000E+01 volume  0.35706E-02 ppm1      4.440 ppm2      1.899 CV     1
 ASSI !  564!
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HG1 ))
      4.400     2.400     1.600 peak   564 spectrum    1 weight  0.10000E+01 volume  0.96687E-03 ppm1      4.439 ppm2      2.038 CV     1
 ASSI !  565!
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HG2 ))
      4.100     2.100     1.900 peak   565 spectrum    1 weight  0.10000E+01 volume  0.11444E-02 ppm1      4.440 ppm2      1.976 CV     1
 ASSI !  566!
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      1.800     0.400     0.400 peak   566 spectrum    1 weight  0.10000E+01 volume  0.16868E-01 ppm1      4.440 ppm2      8.211 CV     1
 ASSI !  568!
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HB2 ))
      1.600     0.300     0.600 peak   568 spectrum    1 weight  0.10000E+01 volume  0.86210E-02 ppm1      2.278 ppm2      1.904 CV     1
 ASSI !  570!
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 25   and name HG1 ))
      2.500     0.800     0.800 peak   570 spectrum    1 weight  0.10000E+01 volume  0.21159E-02 ppm1      2.273 ppm2      2.037 CV     1
 ASSI !  571!
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 26   and name HN  ))
      4.300     2.300     1.700 peak   571 spectrum    1 weight  0.10000E+01 volume  0.12245E-02 ppm1      2.281 ppm2      8.212 CV     1
 ASSI !  574!
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HD1 ))
      4.900     3.000     1.100 peak   574 spectrum    1 weight  0.10000E+01 volume  0.55626E-03 ppm1      1.901 ppm2      3.844 CV     1
 ASSI !  575!
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HB  ))
      2.700     2.700     3.300 peak   575 spectrum    1 weight  0.10000E+01 volume  0.43149E-02 ppm1      1.893 ppm2      2.041 CV     1
 ASSI !  576!
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.700     1.700     1.700 peak   576 spectrum    1 weight  0.10000E+01 volume  0.11497E-02 ppm1      1.898 ppm2      8.211 CV     1
 ASSI !  577!
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 24   and name HA  ))
      3.200     1.300     1.300 peak   577 spectrum    1 weight  0.10000E+01 volume  0.81515E-03 ppm1      3.842 ppm2      4.529 CV     1
 ASSI !  578!
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 24   and name HB  ))
      3.300     1.400     1.400 peak   578 spectrum    1 weight  0.10000E+01 volume  0.26350E-02 ppm1      3.846 ppm2      4.115 CV     1
 ASSI !  579!
   (( segid "    " and resid 25   and name HD1 ))
   (  segid "    " and resid 24   and name HG2#)
      3.700     1.700     1.700 peak   579 spectrum    1 weight  0.10000E+01 volume  0.16339E-02 ppm1      3.841 ppm2      1.228 CV     1
 ASSI !  580!
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 24   and name HN  ))
      4.200     2.200     1.800 peak   580 spectrum    1 weight  0.10000E+01 volume  0.58894E-03 ppm1      3.845 ppm2      7.834 CV     1
 ASSI !  581!
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 25   and name HB1 ))
      3.500     1.600     1.600 peak   581 spectrum    1 weight  0.10000E+01 volume  0.86138E-03 ppm1      3.842 ppm2      2.280 CV     1
 ASSI !  583!
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 25   and name HG1 ))
      2.400     0.700     0.700 peak   583 spectrum    1 weight  0.10000E+01 volume  0.27012E-02 ppm1      3.842 ppm2      2.035 CV     1
 ASSI !  584!
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 25   and name HG2 ))
      2.900     1.100     1.100 peak   584 spectrum    1 weight  0.10000E+01 volume  0.37437E-02 ppm1      3.844 ppm2      1.969 CV     1
 ASSI !  585!
   (( segid "    " and resid 25   and name HD2 ))
   (  segid "    " and resid 24   and name HG2#)
      2.900     1.000     1.000 peak   585 spectrum    1 weight  0.10000E+01 volume  0.34396E-02 ppm1      3.670 ppm2      1.230 CV     1
 ASSI !  586!
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 24   and name HN  ))
      4.500     2.600     1.500 peak   586 spectrum    1 weight  0.10000E+01 volume  0.30594E-03 ppm1      3.672 ppm2      7.834 CV     1
 ASSI !  587!
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HG1 ))
      2.700     0.900     0.900 peak   587 spectrum    1 weight  0.10000E+01 volume  0.37184E-02 ppm1      3.672 ppm2      2.034 CV     1
 ASSI !  591!
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 25   and name HB1 ))
      3.200     1.300     1.300 peak   591 spectrum    1 weight  0.10000E+01 volume  0.22128E-02 ppm1      1.977 ppm2      2.284 CV     1
 ASSI !  593!
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 26   and name HB  ))
      2.000     2.000     4.000 peak   593 spectrum    1 weight  0.10000E+01 volume  0.23648E-01 ppm1      1.977 ppm2      2.041 CV     1
 ASSI !  595!
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG1# ) or ( segid "    " and resid 26   and name HG2# ))
      2.800     1.000     1.000 peak   595 spectrum    1 weight  0.10000E+01 volume  0.30088E-02 ppm1      4.101 ppm2      0.903 CV     1
 ASSI !  596!
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.400     0.700     0.700 peak   596 spectrum    1 weight  0.10000E+01 volume  0.36530E-02 ppm1      4.101 ppm2      8.212 CV     1
 ASSI !  597!
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.100     0.500     0.500 peak   597 spectrum    1 weight  0.10000E+01 volume  0.70489E-02 ppm1      4.102 ppm2      8.352 CV     1
 ASSI !  598!
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      4.900     3.000     1.100 peak   598 spectrum    1 weight  0.10000E+01 volume  0.40028E-03 ppm1      4.103 ppm2      7.779 CV     1
 ASSI !  599!
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 26   and name HA  ))
      3.100     1.200     1.200 peak   599 spectrum    1 weight  0.10000E+01 volume  0.12855E-02 ppm1      2.038 ppm2      4.106 CV     1
 ASSI !  600!
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 26   and name HG2# ) or ( segid "    " and resid 26   and name HG1# ))
      2.400     0.700     0.700 peak   600 spectrum    1 weight  0.10000E+01 volume  0.57256E-02 ppm1      2.038 ppm2      0.891 CV     1
 ASSI !  601!
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 26   and name HN  ))
      3.000     1.200     1.200 peak   601 spectrum    1 weight  0.10000E+01 volume  0.22490E-02 ppm1      2.038 ppm2      8.210 CV     1
 ASSI !  602!
   (( segid "    " and resid 26   and name HB  ))
   (( segid "    " and resid 27   and name HN  ))
      4.600     2.600     1.400 peak   602 spectrum    1 weight  0.10000E+01 volume  0.67295E-03 ppm1      2.039 ppm2      8.347 CV     1
 ASSI !  605!
   (( segid "    " and resid 26   and name HG1# ) or ( segid "    " and resid 26   and name HG2# ))
   (( segid "    " and resid 26   and name HN  ))
      2.900     1.100     1.100 peak   605 spectrum    1 weight  0.10000E+01 volume  0.46956E-02 ppm1      0.904 ppm2      8.212 CV     1
 ASSI !  606!
   (( segid "    " and resid 26   and name HG2# ) or ( segid "    " and resid 26   and name HG1# ))
   (( segid "    " and resid 27   and name HN  ))
      3.900     1.900     1.900 peak   606 spectrum    1 weight  0.10000E+01 volume  0.12621E-02 ppm1      0.901 ppm2      8.347 CV     1
 ASSI !  610!
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HG1 ))
      2.300     2.300     3.700 peak   610 spectrum    1 weight  0.10000E+01 volume  0.17798E-02 ppm1      8.208 ppm2      2.039 CV     1
 ASSI !  614!
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      4.000     2.000     2.000 peak   614 spectrum    1 weight  0.10000E+01 volume  0.14006E-02 ppm1      8.211 ppm2      8.347 CV     1
 ASSI !  615!
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HB2 ))
      2.700     0.900     0.900 peak   615 spectrum    1 weight  0.10000E+01 volume  0.44950E-02 ppm1      4.597 ppm2      2.585 CV     1
 ASSI !  616!
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      3.000     1.200     1.200 peak   616 spectrum    1 weight  0.10000E+01 volume  0.15833E-02 ppm1      4.597 ppm2      8.346 CV     1
 ASSI !  617!
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.700     0.900     0.900 peak   617 spectrum    1 weight  0.10000E+01 volume  0.39393E-02 ppm1      4.597 ppm2      7.777 CV     1
 ASSI !  618!
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      3.500     1.500     1.500 peak   618 spectrum    1 weight  0.10000E+01 volume  0.10583E-02 ppm1      2.665 ppm2      8.348 CV     1
 ASSI !  619!
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
      4.400     2.400     1.600 peak   619 spectrum    1 weight  0.10000E+01 volume  0.38254E-03 ppm1      2.662 ppm2      7.779 CV     1
 ASSI !  620!
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      3.200     1.300     1.300 peak   620 spectrum    1 weight  0.10000E+01 volume  0.14674E-02 ppm1      2.591 ppm2      8.347 CV     1
 ASSI !  625!
   (( segid "    " and resid 28   and name HA  ))
   (( segid "    " and resid 28   and name HN  ))
      2.600     0.800     0.800 peak   625 spectrum    1 weight  0.10000E+01 volume  0.44985E-02 ppm1      4.148 ppm2      7.778 CV     1
 ASSI !  626!
   (( segid "    " and resid 28   and name HB2 ) or ( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HG1 ) or ( segid "    " and resid 28   and name HG2 ))
      2.700     0.900     0.900 peak   626 spectrum    1 weight  0.10000E+01 volume  0.26159E-02 ppm1      1.804 ppm2      1.356 CV     1
 ASSI !  627!
   (( segid "    " and resid 28   and name HB2 ) or ( segid "    " and resid 28   and name HB1 ))
   (( segid "    " and resid 28   and name HN  ))
      3.900     1.900     1.900 peak   627 spectrum    1 weight  0.10000E+01 volume  0.45118E-03 ppm1      1.802 ppm2      7.776 CV     1
 ASSI !  628!
   (( segid "    " and resid 28   and name HD1 ) or ( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HA  ))
      3.600     1.600     1.600 peak   628 spectrum    1 weight  0.10000E+01 volume  0.20120E-02 ppm1      1.684 ppm2      4.152 CV     1
 ASSI !  629!
   (( segid "    " and resid 28   and name HD1 ) or ( segid "    " and resid 28   and name HD2 ))
   (( segid "    " and resid 28   and name HN  ))
      4.400     2.400     1.600 peak   629 spectrum    1 weight  0.10000E+01 volume  0.88187E-03 ppm1      1.682 ppm2      7.776 CV     1
 ASSI !  632!
   (( segid "    " and resid 28   and name HG2 ) or ( segid "    " and resid 28   and name HG1 ))
   (( segid "    " and resid 28   and name HN  ))
      4.300     2.300     1.700 peak   632 spectrum    1 weight  0.10000E+01 volume  0.45486E-03 ppm1      1.360 ppm2      7.776 CV     1
 ASSI !  633!
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
      3.300     1.400     1.400 peak   633 spectrum    1 weight  0.10000E+01 volume  0.10078E-02 ppm1      7.778 ppm2      8.349 CV     1
!
! Unambiguous Aria1.2 Restraints C5aR(P7-28S) peptide:
! -----------------------------------
 ASSI !    3!
   (( segid "    " and resid 11   and name HB2 ) or ( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 11   and name H   ))
      3.500     1.500     1.500 peak     3 spectrum    1 weight  0.10000E+01 volume  0.23395E-02 ppm1      2.764 ppm2      8.140 CV     1

 ASSI !    4!
   (( segid "    " and resid 15   and name HB1 ) or ( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      4.000     2.000     2.000 peak     4 spectrum    1 weight  0.10000E+01 volume  0.97004E-03 ppm1      2.884 ppm2      9.223 CV     1
 
 ASSI !    5!
   (( segid "    " and resid 15   and name HA  ) or ( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      4.600     2.600     1.400 peak     5 spectrum    1 weight  0.10000E+01 volume  0.56603E-03 ppm1      4.682 ppm2      9.222 CV     1
 
 ASSI !    6!
   (( segid "    " and resid 13   and name HA  ) or ( segid "    " and resid 15   and name HA  ) or ( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 13   and name HN  ) or ( segid "    " and resid 13   and name HD2 ))
      2.300     0.700     0.700 peak     6 spectrum    1 weight  0.10000E+01 volume  0.11055E-01 ppm1      4.676 ppm2      7.276 CV     1
 
 ASSI !    7!
   (( segid "    " and resid 19   and name HA  ) or ( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.600     0.900     0.900 peak     7 spectrum    1 weight  0.10000E+01 volume  0.36477E-02 ppm1      4.251 ppm2      7.850 CV     1

 ASSI !    9!
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ) or ( segid "    " and resid 18   and name HN  ))
      2.300     0.700     0.700 peak     9 spectrum    1 weight  0.10000E+01 volume  0.67183E-02 ppm1      4.256 ppm2      8.469 CV     1
!
! EOF!
! Hydrogen bonds of the core betasheet fold in the CHIPS-C5aR(P7-28S)complex
! Hydrogen-bond pairs taken directly from the topology of the similar structure of 
! free CHIPS. Chemical shifts data indicate similar betastrand hydrogen-bond pairing
! of free and complexed CHIPS. 
!

assign ( residue   66 and name HN )  ( residue   70  and name O )  1.80  0.00  0.40
assign ( residue   66 and name N  )  ( residue   70  and name O )  2.70  0.00  0.40
 
assign ( residue   72 and name HN )  ( residue   64  and name O )  1.80  0.00  0.40
assign ( residue   72 and name N  )  ( residue   64  and name O )  2.70  0.00  0.40

assign ( residue   64 and name HN )  ( residue   72  and name O )  1.80  0.00  0.40
assign ( residue   64 and name N  )  ( residue   72  and name O )  2.70  0.00  0.40

assign ( residue   74 and name HN )  ( residue   62  and name O )  1.80  0.00  0.40
assign ( residue   74 and name N  )  ( residue   62  and name O )  2.70  0.00  0.40

assign ( residue   62 and name HN )  ( residue   74  and name O )  1.80  0.00  0.40
assign ( residue   62 and name N  )  ( residue   74  and name O )  2.70  0.00  0.40 
 
assign ( residue   95 and name HN )  ( residue   65  and name O )  1.80  0.00  0.40
assign ( residue   95 and name N  )  ( residue   65  and name O )  2.70  0.00  0.40

assign ( residue   65 and name HN )  ( residue   95  and name O )  1.80  0.00  0.40
assign ( residue   65 and name N  )  ( residue   95  and name O )  2.70  0.00  0.40

assign ( residue   97 and name HN )  ( residue   63  and name O )  1.80  0.00  0.40
assign ( residue   97 and name N  )  ( residue   63  and name O )  2.70  0.00  0.40

assign ( residue   63 and name HN )  ( residue   97  and name O )  1.80  0.00  0.40
assign ( residue   63 and name N  )  ( residue   97  and name O )  2.70  0.00  0.40 

assign ( residue  112 and name HN )  ( residue   94  and name O )  1.80  0.00  0.40
assign ( residue  112 and name N  )  ( residue   94  and name O )  2.70  0.00  0.40

assign ( residue   96 and name HN )  ( residue  110  and name O )  1.80  0.00  0.40
assign ( residue   96 and name N  )  ( residue  110  and name O )  2.70  0.00  0.40

assign ( residue  110 and name HN )  ( residue   96  and name O )  1.80  0.00  0.40
assign ( residue  110 and name N  )  ( residue   96  and name O )  2.70  0.00  0.40

assign ( residue   98 and name HN )  ( residue  108  and name O )  1.80  0.00  0.40
assign ( residue   98 and name N  )  ( residue  108  and name O )  2.70  0.00  0.40

!
! Extra hydrogen bonds of amide hydrogen bonds that belong to amide protons that show
! large observed proton (and nitrogen 15N) shifts going from an unbound state to a 
! bound state in the complex.
! 
! The restraints are in agreement with the structure of the complex determined without
! these additional hydrogen-bonds. 
! The extra hydrogen-bonds serve only to keep the amide proton within hydrogen-bond distance
! of the carbonyl oxygen atom, because with only use of an upper limit in intermolecular
! distance restraints this is not sufficient enough for good structural convergence during
! simulated annealing docking. 
!
 
assign ( residue   22 and name HN )  ( residue  104  and name O )  1.80  0.00  0.40
assign ( residue   22 and name N  )  ( residue  104  and name O )  2.70  0.00  0.40

assign ( residue  106 and name HN )  ( residue   20  and name O )  1.80  0.00  0.40
assign ( residue  106 and name N  )  ( residue   20  and name O )  2.70  0.00  0.40

assign ( residue  109 and name HN )  ( residue   13  and name O )  1.80  0.00  0.40
assign ( residue  109 and name N  )  ( residue   13  and name O )  2.70  0.00  0.40
! Talos derived phi/psi restraints for the CHIPS-C5aR(P7-28S) complex.
!
! Only Talos derived restraints that show a relative small distribution in error limits
! are included in the dihedral restraint file.
! Restraints of residues Gly52 to Phe59 (involved in binding sTyr14) were removed from 
! the calculation to avoid the large effect in magnetic shielding of the sulfated
! tyrosine sY14 on carbon chemical shifts of the loop residues 52-59. 
! Same for the unusual bend at Met93, psi restraint of Met93 is commented out. Also Talos
! derived values for phi/psi of Tyr94 are not well-defined and are not included here.
! 
! 1. L 34 Phi -99.00 +/- 48.00 (-147.00 to -51.00)
assign (resid  33 and name  C) (resid  34 and name  N)
       (resid  34 and name CA) (resid  34 and name  C) 1.0   -99.00    48.00 2
! 2. T 37 Phi -112.00 +/- 40.00 (-152.00 to -72.00)
assign (resid  36 and name  C) (resid  37 and name  N)
       (resid  37 and name CA) (resid  37 and name  C) 1.0  -112.00    40.00 2
! 3. L 38 Phi -65.00 +/- 22.00 (-87.00 to -43.00)
assign (resid  37 and name  C) (resid  38 and name  N)
       (resid  38 and name CA) (resid  38 and name  C) 1.0   -65.00    22.00 2
! 4. G 39 Phi -67.00 +/- 14.00 (-81.00 to -53.00)
assign (resid  38 and name  C) (resid  39 and name  N)
       (resid  39 and name CA) (resid  39 and name  C) 1.0   -67.00    14.00 2
! 5. K 40 Phi -68.00 +/- 18.00 (-86.00 to -50.00)
assign (resid  39 and name  C) (resid  40 and name  N)
       (resid  40 and name CA) (resid  40 and name  C) 1.0   -68.00    18.00 2
! 6. L 41 Phi -64.00 +/- 6.00 (-70.00 to -58.00)
assign (resid  40 and name  C) (resid  41 and name  N)
       (resid  41 and name CA) (resid  41 and name  C) 1.0   -64.00     6.00 2
! 7. D 42 Phi -61.00 +/- 12.00 (-73.00 to -49.00)
assign (resid  41 and name  C) (resid  42 and name  N)
       (resid  42 and name CA) (resid  42 and name  C) 1.0   -61.00    12.00 2
! 8. E 43 Phi -64.00 +/- 18.00 (-82.00 to -46.00)
assign (resid  42 and name  C) (resid  43 and name  N)
       (resid  43 and name CA) (resid  43 and name  C) 1.0   -64.00    18.00 2
! 9. R 44 Phi -67.00 +/- 14.00 (-81.00 to -53.00)
assign (resid  43 and name  C) (resid  44 and name  N)
       (resid  44 and name CA) (resid  44 and name  C) 1.0   -67.00    14.00 2
! 10. L 45 Phi -60.00 +/- 10.00 (-70.00 to -50.00)
assign (resid  44 and name  C) (resid  45 and name  N)
       (resid  45 and name CA) (resid  45 and name  C) 1.0   -60.00    10.00 2
! 11. R 46 Phi -63.00 +/- 8.00 (-71.00 to -55.00)
assign (resid  45 and name  C) (resid  46 and name  N)
       (resid  46 and name CA) (resid  46 and name  C) 1.0   -63.00     8.00 2
! 12. N 47 Phi -63.00 +/- 8.00 (-71.00 to -55.00)
assign (resid  46 and name  C) (resid  47 and name  N)
       (resid  47 and name CA) (resid  47 and name  C) 1.0   -63.00     8.00 2
! 13. Y 48 Phi -65.00 +/- 12.00 (-77.00 to -53.00)
assign (resid  47 and name  C) (resid  48 and name  N)
       (resid  48 and name CA) (resid  48 and name  C) 1.0   -65.00    12.00 2
! 14. L 49 Phi -62.00 +/- 8.00 (-70.00 to -54.00)
assign (resid  48 and name  C) (resid  49 and name  N)
       (resid  49 and name CA) (resid  49 and name  C) 1.0   -62.00     8.00 2
! 15. K 50 Phi -64.00 +/- 10.00 (-74.00 to -54.00)
assign (resid  49 and name  C) (resid  50 and name  N)
       (resid  50 and name CA) (resid  50 and name  C) 1.0   -64.00    10.00 2
! 16. K 51 Phi -77.00 +/- 26.00 (-103.00 to -51.00)
assign (resid  50 and name  C) (resid  51 and name  N)
       (resid  51 and name CA) (resid  51 and name  C) 1.0   -77.00    26.00 2
!
! Binding loop, too much chemical shifts deviations for Ca and Cb caused by sTyr14
!
! 17. G 52 Phi 79.00 +/- 30.00 (49.00 to 109.00)
!assign (resid  51 and name  C) (resid  52 and name  N)
!        (resid  52 and name CA) (resid  52 and name  C) 1.0    79.00    30.00 2
! 18. T 53 Phi -118.00 +/- 44.00 (-162.00 to -74.00)
!assign (resid  52 and name  C) (resid  53 and name  N)
!      (resid  53 and name CA) (resid  53 and name  C) 1.0  -118.00    44.00 2
! 19. S 56 Phi -56.00 +/- 8.00 (-64.00 to -48.00)
!assign (resid  55 and name  C) (resid  56 and name  N)
!       (resid  56 and name CA) (resid  56 and name  C) 1.0   -56.00     8.00 2
! 20. A 57 Phi -71.00 +/- 28.00 (-99.00 to -43.00)
!assign (resid  56 and name  C) (resid  57 and name  N)
!       (resid  57 and name CA) (resid  57 and name  C) 1.0   -71.00    28.00 2
! 21. Q 58 Phi -88.00 +/- 34.00 (-122.00 to -54.00)
!assign (resid  57 and name  C) (resid  58 and name  N)
!       (resid  58 and name CA) (resid  58 and name  C) 1.0   -88.00    34.00 2
! 22. F 59 Phi -81.00 +/- 46.00 (-127.00 to -35.00)
!assign (resid  58 and name  C) (resid  59 and name  N)
!       (resid  59 and name CA) (resid  59 and name  C) 1.0   -81.00    46.00 2
! 23. K 61 Phi -158.00 +/- 22.00 (-180.00 to -136.00)
assign (resid  60 and name  C) (resid  61 and name  N)
       (resid  61 and name CA) (resid  61 and name  C) 1.0  -158.00    22.00 2
! 24. M 62 Phi -135.00 +/- 24.00 (-159.00 to -111.00)
assign (resid  61 and name  C) (resid  62 and name  N)
       (resid  62 and name CA) (resid  62 and name  C) 1.0  -135.00    24.00 2
! 25. V 63 Phi -120.00 +/- 18.00 (-138.00 to -102.00)
assign (resid  62 and name  C) (resid  63 and name  N)
       (resid  63 and name CA) (resid  63 and name  C) 1.0  -120.00    18.00 2
! 26. I 64 Phi -129.00 +/- 36.00 (-165.00 to -93.00)
assign (resid  63 and name  C) (resid  64 and name  N)
       (resid  64 and name CA) (resid  64 and name  C) 1.0  -129.00    36.00 2
! 27. L 65 Phi -107.00 +/- 30.00 (-137.00 to -77.00)
assign (resid  64 and name  C) (resid  65 and name  N)
       (resid  65 and name CA) (resid  65 and name  C) 1.0  -107.00    30.00 2
! 28. T 66 Phi -124.00 +/- 42.00 (-166.00 to -82.00)
assign (resid  65 and name  C) (resid  66 and name  N)
       (resid  66 and name CA) (resid  66 and name  C) 1.0  -124.00    42.00 2
! 29. E 67 Phi -95.00 +/- 74.00 (-169.00 to -21.00)
assign (resid  66 and name  C) (resid  67 and name  N)
       (resid  67 and name CA) (resid  67 and name  C) 1.0   -95.00    74.00 2
! 30. Y 71 Phi -117.00 +/- 34.00 (-151.00 to -83.00)
assign (resid  70 and name  C) (resid  71 and name  N)
       (resid  71 and name CA) (resid  71 and name  C) 1.0  -117.00    34.00 2
! 31. Y 72 Phi -119.00 +/- 30.00 (-149.00 to -89.00)
assign (resid  71 and name  C) (resid  72 and name  N)
       (resid  72 and name CA) (resid  72 and name  C) 1.0  -119.00    30.00 2
! 32. T 73 Phi -99.00 +/- 36.00 (-135.00 to -63.00)
assign (resid  72 and name  C) (resid  73 and name  N)
       (resid  73 and name CA) (resid  73 and name  C) 1.0   -99.00    36.00 2
! 33. V 74 Phi -119.00 +/- 24.00 (-143.00 to -95.00)
assign (resid  73 and name  C) (resid  74 and name  N)
       (resid  74 and name CA) (resid  74 and name  C) 1.0  -119.00    24.00 2
! 34. Y 75 Phi -74.00 +/- 34.00 (-108.00 to -40.00)
assign (resid  74 and name  C) (resid  75 and name  N)
       (resid  75 and name CA) (resid  75 and name  C) 1.0   -74.00    34.00 2
! 35. L 76 Phi -89.00 +/- 32.00 (-121.00 to -57.00)
assign (resid  75 and name  C) (resid  76 and name  N)
       (resid  76 and name CA) (resid  76 and name  C) 1.0   -89.00    32.00 2
! 36. N 77 Phi -82.00 +/- 14.00 (-96.00 to -68.00)
assign (resid  76 and name  C) (resid  77 and name  N)
       (resid  77 and name CA) (resid  77 and name  C) 1.0   -82.00    14.00 2
! 37. T 78 Phi -105.00 +/- 44.00 (-149.00 to -61.00)
assign (resid  77 and name  C) (resid  78 and name  N)
       (resid  78 and name CA) (resid  78 and name  C) 1.0  -105.00    44.00 2
! 38. P 79 Phi -75.00 +/- 38.00 (-113.00 to -37.00)
assign (resid  78 and name  C) (resid  79 and name  N)
       (resid  79 and name CA) (resid  79 and name  C) 1.0   -75.00    38.00 2
! 39. L 80 Phi -86.00 +/- 54.00 (-140.00 to -32.00)
assign (resid  79 and name  C) (resid  80 and name  N)
       (resid  80 and name CA) (resid  80 and name  C) 1.0   -86.00    54.00 2
! 40. A 81 Phi -84.00 +/- 54.00 (-138.00 to -30.00)
assign (resid  80 and name  C) (resid  81 and name  N)
       (resid  81 and name CA) (resid  81 and name  C) 1.0   -84.00    54.00 2
! 41. E 82 Phi -62.00 +/- 16.00 (-78.00 to -46.00)
assign (resid  81 and name  C) (resid  82 and name  N)
       (resid  82 and name CA) (resid  82 and name  C) 1.0   -62.00    16.00 2
! 42. D 83 Phi -70.00 +/- 18.00 (-88.00 to -52.00)
assign (resid  82 and name  C) (resid  83 and name  N)
       (resid  83 and name CA) (resid  83 and name  C) 1.0   -70.00    18.00 2
! 43. R 84 Phi -89.00 +/- 32.00 (-121.00 to -57.00)
assign (resid  83 and name  C) (resid  84 and name  N)
       (resid  84 and name CA) (resid  84 and name  C) 1.0   -89.00    32.00 2
! 44. K 85 Phi -58.00 +/- 12.00 (-70.00 to -46.00)
assign (resid  84 and name  C) (resid  85 and name  N)
       (resid  85 and name CA) (resid  85 and name  C) 1.0   -58.00    12.00 2
! 45. N 86 Phi -104.00 +/- 24.00 (-128.00 to -80.00)
assign (resid  85 and name  C) (resid  86 and name  N)
       (resid  86 and name CA) (resid  86 and name  C) 1.0  -104.00    24.00 2
! 46. V 87 Phi -90.00 +/- 48.00 (-138.00 to -42.00)
assign (resid  86 and name  C) (resid  87 and name  N)
       (resid  87 and name CA) (resid  87 and name  C) 1.0   -90.00    48.00 2
! 47. E 88 Phi -81.00 +/- 26.00 (-107.00 to -55.00)
assign (resid  87 and name  C) (resid  88 and name  N)
       (resid  88 and name CA) (resid  88 and name  C) 1.0   -81.00    26.00 2
! 48. K 92 Phi -87.00 +/- 40.00 (-127.00 to -47.00)
assign (resid  91 and name  C) (resid  92 and name  N)
       (resid  92 and name CA) (resid  92 and name  C) 1.0   -87.00    40.00 2
! 49. M 93 Phi -71.00 +/- 18.00 (-89.00 to -53.00)
assign (resid  92 and name  C) (resid  93 and name  N)
       (resid  93 and name CA) (resid  93 and name  C) 1.0   -71.00    18.00 2
! 50. K 95 Phi -141.00 +/- 34.00 (-175.00 to -107.00)
assign (resid  94 and name  C) (resid  95 and name  N)
       (resid  95 and name CA) (resid  95 and name  C) 1.0  -141.00    34.00 2
! 51. T 96 Phi -119.00 +/- 22.00 (-141.00 to -97.00)
assign (resid  95 and name  C) (resid  96 and name  N)
       (resid  96 and name CA) (resid  96 and name  C) 1.0  -119.00    22.00 2
! 52. Y 97 Phi -119.00 +/- 28.00 (-147.00 to -91.00)
assign (resid  96 and name  C) (resid  97 and name  N)
       (resid  97 and name CA) (resid  97 and name  C) 1.0  -119.00    28.00 2
! 53. F 98 Phi -117.00 +/- 28.00 (-145.00 to -89.00)
assign (resid  97 and name  C) (resid  98 and name  N)
       (resid  98 and name CA) (resid  98 and name  C) 1.0  -117.00    28.00 2
! 54. F 99 Phi -120.00 +/- 26.00 (-146.00 to -94.00)
assign (resid  98 and name  C) (resid  99 and name  N)
       (resid  99 and name CA) (resid  99 and name  C) 1.0  -120.00    26.00 2
! 55. K 100 Phi -82.00 +/- 22.00 (-104.00 to -60.00)
assign (resid  99 and name  C) (resid 100 and name  N)
       (resid 100 and name CA) (resid 100 and name  C) 1.0   -82.00    22.00 2
! 56. E 103 Phi -107.00 +/- 68.00 (-175.00 to -39.00)
assign (resid 102 and name  C) (resid 103 and name  N)
       (resid 103 and name CA) (resid 103 and name  C) 1.0  -107.00    68.00 2
! 57. K 105 Phi -123.00 +/- 48.00 (-171.00 to -75.00)
assign (resid 104 and name  C) (resid 105 and name  N)
       (resid 105 and name CA) (resid 105 and name  C) 1.0  -123.00    48.00 2
! 58. Y 108 Phi -128.00 +/- 44.00 (-172.00 to -84.00)
assign (resid 107 and name  C) (resid 108 and name  N)
       (resid 108 and name CA) (resid 108 and name  C) 1.0  -128.00    44.00 2
! 59. V 109 Phi -129.00 +/- 36.00 (-165.00 to -93.00)
assign (resid 108 and name  C) (resid 109 and name  N)
       (resid 109 and name CA) (resid 109 and name  C) 1.0  -129.00    36.00 2
! 60. I 110 Phi -118.00 +/- 52.00 (-170.00 to -66.00)
assign (resid 109 and name  C) (resid 110 and name  N)
       (resid 110 and name CA) (resid 110 and name  C) 1.0  -118.00    52.00 2
! 61. N 111 Phi -92.00 +/- 30.00 (-122.00 to -62.00)
assign (resid 110 and name  C) (resid 111 and name  N)
       (resid 111 and name CA) (resid 111 and name  C) 1.0   -92.00    30.00 2
! 62. P 113 Phi -72.00 +/- 48.00 (-120.00 to -24.00)
assign (resid 112 and name  C) (resid 113 and name  N)
       (resid 113 and name CA) (resid 113 and name  C) 1.0   -72.00    48.00 2
! 63. T 116 Phi -117.00 +/- 76.00 (-193.00 to -41.00)
assign (resid 115 and name  C) (resid 116 and name  N)
       (resid 116 and name CA) (resid 116 and name  C) 1.0  -117.00    76.00 2
! 64. L 34 Psi 110.00 +/- 66.00 (44.00 to 176.00)
assign (resid  34 and name  N) (resid  34 and name CA)
       (resid  34 and name  C) (resid  35 and name  N) 1.0   110.00    66.00 2
! 65. T 37 Psi 160.00 +/- 20.00 (140.00 to 180.00)
assign (resid  37 and name  N) (resid  37 and name CA)
       (resid  37 and name  C) (resid  38 and name  N) 1.0   160.00    20.00 2
! 66. L 38 Psi -34.00 +/- 24.00 (-58.00 to -10.00)
assign (resid  38 and name  N) (resid  38 and name CA)
       (resid  38 and name  C) (resid  39 and name  N) 1.0   -34.00    24.00 2
! 67. G 39 Psi -37.00 +/- 12.00 (-49.00 to -25.00)
assign (resid  39 and name  N) (resid  39 and name CA)
       (resid  39 and name  C) (resid  40 and name  N) 1.0   -37.00    12.00 2
! 68. K 40 Psi -38.00 +/- 22.00 (-60.00 to -16.00)
assign (resid  40 and name  N) (resid  40 and name CA)
       (resid  40 and name  C) (resid  41 and name  N) 1.0   -38.00    22.00 2
! 69. L 41 Psi -43.00 +/- 10.00 (-53.00 to -33.00)
assign (resid  41 and name  N) (resid  41 and name CA)
       (resid  41 and name  C) (resid  42 and name  N) 1.0   -43.00    10.00 2
! 70. D 42 Psi -45.00 +/- 14.00 (-59.00 to -31.00)
assign (resid  42 and name  N) (resid  42 and name CA)
       (resid  42 and name  C) (resid  43 and name  N) 1.0   -45.00    14.00 2
! 71. E 43 Psi -42.00 +/- 10.00 (-52.00 to -32.00)
assign (resid  43 and name  N) (resid  43 and name CA)
       (resid  43 and name  C) (resid  44 and name  N) 1.0   -42.00    10.00 2
! 72. R 44 Psi -44.00 +/- 12.00 (-56.00 to -32.00)
assign (resid  44 and name  N) (resid  44 and name CA)
       (resid  44 and name  C) (resid  45 and name  N) 1.0   -44.00    12.00 2
! 73. L 45 Psi -42.00 +/- 14.00 (-56.00 to -28.00)
assign (resid  45 and name  N) (resid  45 and name CA)
       (resid  45 and name  C) (resid  46 and name  N) 1.0   -42.00    14.00 2
! 74. R 46 Psi -42.00 +/- 8.00 (-50.00 to -34.00)
assign (resid  46 and name  N) (resid  46 and name CA)
       (resid  46 and name  C) (resid  47 and name  N) 1.0   -42.00     8.00 2
! 75. N 47 Psi -44.00 +/- 8.00 (-52.00 to -36.00)
assign (resid  47 and name  N) (resid  47 and name CA)
       (resid  47 and name  C) (resid  48 and name  N) 1.0   -44.00     8.00 2
! 76. Y 48 Psi -42.00 +/- 8.00 (-50.00 to -34.00)
assign (resid  48 and name  N) (resid  48 and name CA)
       (resid  48 and name  C) (resid  49 and name  N) 1.0   -42.00     8.00 2
! 77. L 49 Psi -41.00 +/- 10.00 (-51.00 to -31.00)
assign (resid  49 and name  N) (resid  49 and name CA)
       (resid  49 and name  C) (resid  50 and name  N) 1.0   -41.00    10.00 2
! 78. K 50 Psi -37.00 +/- 22.00 (-59.00 to -15.00)
assign (resid  50 and name  N) (resid  50 and name CA)
       (resid  50 and name  C) (resid  51 and name  N) 1.0   -37.00    22.00 2
! 79. K 51 Psi -29.00 +/- 24.00 (-53.00 to -5.00)
assign (resid  51 and name  N) (resid  51 and name CA)
       (resid  51 and name  C) (resid  52 and name  N) 1.0   -29.00    24.00 2
!
! Binding loop, too much chemical shifts deviations for Ca and Cb caused by sTyr14
!
! 80. G 52 Psi 12.00 +/- 32.00 (-20.00 to 44.00)
!assign (resid  52 and name  N) (resid  52 and name CA)
!       (resid  52 and name  C) (resid  53 and name  N) 1.0    12.00    32.00 2
! 81. T 53 Psi 153.00 +/- 28.00 (125.00 to 181.00)
!assign (resid  53 and name  N) (resid  53 and name CA)
!       (resid  53 and name  C) (resid  54 and name  N) 1.0   153.00    28.00 2
! 82. S 56 Psi -35.00 +/- 16.00 (-51.00 to -19.00)
!assign (resid  56 and name  N) (resid  56 and name CA)
!       (resid  56 and name  C) (resid  57 and name  N) 1.0   -35.00    16.00 2
! 83. A 57 Psi -21.00 +/- 36.00 (-57.00 to 15.00)
!assign (resid  57 and name  N) (resid  57 and name CA)
!       (resid  57 and name  C) (resid  58 and name  N) 1.0   -21.00    36.00 2
! 84. Q 58 Psi -10.00 +/- 24.00 (-34.00 to 14.00)
!assign (resid  58 and name  N) (resid  58 and name CA)
!       (resid  58 and name  C) (resid  59 and name  N) 1.0   -10.00    24.00 2
! 85. F 59 Psi 128.00 +/- 18.00 (110.00 to 146.00)
!assign (resid  59 and name  N) (resid  59 and name CA)
!       (resid  59 and name  C) (resid  60 and name  N) 1.0   128.00    18.00 2
! 86. K 61 Psi 155.00 +/- 20.00 (135.00 to 175.00)
assign (resid  61 and name  N) (resid  61 and name CA)
       (resid  61 and name  C) (resid  62 and name  N) 1.0   155.00    20.00 2
! 87. M 62 Psi 139.00 +/- 22.00 (117.00 to 161.00)
assign (resid  62 and name  N) (resid  62 and name CA)
       (resid  62 and name  C) (resid  63 and name  N) 1.0   139.00    22.00 2
! 88. V 63 Psi 131.00 +/- 14.00 (117.00 to 145.00)
assign (resid  63 and name  N) (resid  63 and name CA)
       (resid  63 and name  C) (resid  64 and name  N) 1.0   131.00    14.00 2
! 89. I 64 Psi 135.00 +/- 36.00 (99.00 to 171.00)
assign (resid  64 and name  N) (resid  64 and name CA)
       (resid  64 and name  C) (resid  65 and name  N) 1.0   135.00    36.00 2
! 90. L 65 Psi 134.00 +/- 18.00 (116.00 to 152.00)
assign (resid  65 and name  N) (resid  65 and name CA)
       (resid  65 and name  C) (resid  66 and name  N) 1.0   134.00    18.00 2
! 91. T 66 Psi 162.00 +/- 32.00 (130.00 to 194.00)
assign (resid  66 and name  N) (resid  66 and name CA)
       (resid  66 and name  C) (resid  67 and name  N) 1.0   162.00    32.00 2
! 92. E 67 Psi 159.00 +/- 28.00 (131.00 to 187.00)
assign (resid  67 and name  N) (resid  67 and name CA)
       (resid  67 and name  C) (resid  68 and name  N) 1.0   159.00    28.00 2
! 93. Y 71 Psi 129.00 +/- 18.00 (111.00 to 147.00)
assign (resid  71 and name  N) (resid  71 and name CA)
       (resid  71 and name  C) (resid  72 and name  N) 1.0   129.00    18.00 2
! 94. Y 72 Psi 128.00 +/- 16.00 (112.00 to 144.00)
assign (resid  72 and name  N) (resid  72 and name CA)
       (resid  72 and name  C) (resid  73 and name  N) 1.0   128.00    16.00 2
! 95. T 73 Psi 127.00 +/- 16.00 (111.00 to 143.00)
assign (resid  73 and name  N) (resid  73 and name CA)
       (resid  73 and name  C) (resid  74 and name  N) 1.0   127.00    16.00 2
! 96. V 74 Psi 131.00 +/- 26.00 (105.00 to 157.00)
assign (resid  74 and name  N) (resid  74 and name CA)
       (resid  74 and name  C) (resid  75 and name  N) 1.0   131.00    26.00 2
! 97. Y 75 Psi 135.00 +/- 22.00 (113.00 to 157.00)
assign (resid  75 and name  N) (resid  75 and name CA)
       (resid  75 and name  C) (resid  76 and name  N) 1.0   135.00    22.00 2
! 98. L 76 Psi -11.00 +/- 42.00 (-53.00 to 31.00)
assign (resid  76 and name  N) (resid  76 and name CA)
       (resid  76 and name  C) (resid  77 and name  N) 1.0   -11.00    42.00 2
! 99. N 77 Psi -6.00 +/- 34.00 (-40.00 to 28.00)
assign (resid  77 and name  N) (resid  77 and name CA)
       (resid  77 and name  C) (resid  78 and name  N) 1.0    -6.00    34.00 2
! 100. T 78 Psi 136.00 +/- 56.00 (80.00 to 192.00)
assign (resid  78 and name  N) (resid  78 and name CA)
       (resid  78 and name  C) (resid  79 and name  N) 1.0   136.00    56.00 2
! 101. P 79 Psi 137.00 +/- 16.00 (121.00 to 153.00)
assign (resid  79 and name  N) (resid  79 and name CA)
       (resid  79 and name  C) (resid  80 and name  N) 1.0   137.00    16.00 2
! 102. L 80 Psi 134.00 +/- 30.00 (104.00 to 164.00)
assign (resid  80 and name  N) (resid  80 and name CA)
       (resid  80 and name  C) (resid  81 and name  N) 1.0   134.00    30.00 2
! 103. A 81 Psi 140.00 +/- 44.00 (96.00 to 184.00)
assign (resid  81 and name  N) (resid  81 and name CA)
       (resid  81 and name  C) (resid  82 and name  N) 1.0   140.00    44.00 2
! 104. E 82 Psi -29.00 +/- 24.00 (-53.00 to -5.00)
assign (resid  82 and name  N) (resid  82 and name CA)
       (resid  82 and name  C) (resid  83 and name  N) 1.0   -29.00    24.00 2
! 105. D 83 Psi -18.00 +/- 30.00 (-48.00 to 12.00)
assign (resid  83 and name  N) (resid  83 and name CA)
       (resid  83 and name  C) (resid  84 and name  N) 1.0   -18.00    30.00 2
! 106. R 84 Psi -13.00 +/- 42.00 (-55.00 to 29.00)
assign (resid  84 and name  N) (resid  84 and name CA)
       (resid  84 and name  C) (resid  85 and name  N) 1.0   -13.00    42.00 2
! 107. K 85 Psi -33.00 +/- 12.00 (-45.00 to -21.00)
assign (resid  85 and name  N) (resid  85 and name CA)
       (resid  85 and name  C) (resid  86 and name  N) 1.0   -33.00    12.00 2
! 108. N 86 Psi -1.00 +/- 28.00 (-29.00 to 27.00)
assign (resid  86 and name  N) (resid  86 and name CA)
       (resid  86 and name  C) (resid  87 and name  N) 1.0    -1.00    28.00 2
! 109. V 87 Psi 134.00 +/- 20.00 (114.00 to 154.00)
assign (resid  87 and name  N) (resid  87 and name CA)
       (resid  87 and name  C) (resid  88 and name  N) 1.0   134.00    20.00 2
! 110. E 88 Psi 122.00 +/- 30.00 (92.00 to 152.00)
assign (resid  88 and name  N) (resid  88 and name CA)
       (resid  88 and name  C) (resid  89 and name  N) 1.0   122.00    30.00 2
! 111. K 92 Psi 133.00 +/- 14.00 (119.00 to 147.00)
assign (resid  92 and name  N) (resid  92 and name CA)
       (resid  92 and name  C) (resid  93 and name  N) 1.0   133.00    14.00 2
!
! Unsual bend in betasheet in free protein and complex
!
! 112. M 93 Psi 133.00 +/- 20.00 (113.00 to 153.00)
!assign (resid  93 and name  N) (resid  93 and name CA)
!       (resid  93 and name  C) (resid  94 and name  N) 1.0   133.00    20.00 2
! 113. K 95 Psi 148.00 +/- 26.00 (122.00 to 174.00)
assign (resid  95 and name  N) (resid  95 and name CA)
       (resid  95 and name  C) (resid  96 and name  N) 1.0   148.00    26.00 2
! 114. T 96 Psi 131.00 +/- 20.00 (111.00 to 151.00)
assign (resid  96 and name  N) (resid  96 and name CA)
       (resid  96 and name  C) (resid  97 and name  N) 1.0   131.00    20.00 2
! 115. Y 97 Psi 143.00 +/- 28.00 (115.00 to 171.00)
assign (resid  97 and name  N) (resid  97 and name CA)
       (resid  97 and name  C) (resid  98 and name  N) 1.0   143.00    28.00 2
! 116. F 98 Psi 141.00 +/- 34.00 (107.00 to 175.00)
assign (resid  98 and name  N) (resid  98 and name CA)
       (resid  98 and name  C) (resid  99 and name  N) 1.0   141.00    34.00 2
! 117. F 99 Psi 130.00 +/- 32.00 (98.00 to 162.00)
assign (resid  99 and name  N) (resid  99 and name CA)
       (resid  99 and name  C) (resid 100 and name  N) 1.0   130.00    32.00 2
! 118. K 100 Psi 154.00 +/- 52.00 (102.00 to 206.00)
assign (resid 100 and name  N) (resid 100 and name CA)
       (resid 100 and name  C) (resid 101 and name  N) 1.0   154.00    52.00 2
! 119. E 103 Psi 158.00 +/- 20.00 (138.00 to 178.00)
assign (resid 103 and name  N) (resid 103 and name CA)
       (resid 103 and name  C) (resid 104 and name  N) 1.0   158.00    20.00 2
! 120. K 105 Psi 143.00 +/- 32.00 (111.00 to 175.00)
assign (resid 105 and name  N) (resid 105 and name CA)
       (resid 105 and name  C) (resid 106 and name  N) 1.0   143.00    32.00 2
! 121. Y 108 Psi 124.00 +/- 36.00 (88.00 to 160.00)
assign (resid 108 and name  N) (resid 108 and name CA)
       (resid 108 and name  C) (resid 109 and name  N) 1.0   124.00    36.00 2
! 122. V 109 Psi 144.00 +/- 22.00 (122.00 to 166.00)
assign (resid 109 and name  N) (resid 109 and name CA)
       (resid 109 and name  C) (resid 110 and name  N) 1.0   144.00    22.00 2
! 123. I 110 Psi 130.00 +/- 36.00 (94.00 to 166.00)
assign (resid 110 and name  N) (resid 110 and name CA)
       (resid 110 and name  C) (resid 111 and name  N) 1.0   130.00    36.00 2
! 124. N 111 Psi 136.00 +/- 42.00 (94.00 to 178.00)
assign (resid 111 and name  N) (resid 111 and name CA)
       (resid 111 and name  C) (resid 112 and name  N) 1.0   136.00    42.00 2
! 125. P 113 Psi 144.00 +/- 38.00 (106.00 to 182.00)
assign (resid 113 and name  N) (resid 113 and name CA)
       (resid 113 and name  C) (resid 114 and name  N) 1.0   144.00    38.00 2
! 126. T 116 Psi 159.00 +/- 46.00 (113.00 to 205.00)
assign (resid 116 and name  N) (resid 116 and name CA)
       (resid 116 and name  C) (resid 117 and name  N) 1.0   159.00    46.00 2
! Stereochemistry dihedral restraint file CHIPS-C5aR(P7-28S).
!
! Special restraints to keep Pro9 and Pro25 of the C5aR P7-28S peptide in the 
! CHIPS-C5aR(P7-28S) complex into a trans-proline configuration during docking.
!

assign (resid   8 and name  O) (resid   8 and name  C)
       (resid   9 and name  N) (resid   9 and name  CD) 1.0   180.00    18.00 2

assign (resid   8 and name  CA) (resid   8 and name  C)
       (resid   9 and name  N) (resid   9 and name  CD) 1.0    0.00    18.00 2

assign (resid  24 and name  O) (resid  24 and name  C)
       (resid  25 and name  N) (resid  25 and name  CD) 1.0   180.00    18.00 2

assign (resid  24 and name  CA) (resid  24 and name  C)
       (resid  25 and name  N) (resid  25 and name  CD) 1.0    0.00    18.00 2

!
! Special restraints to keep the NH1 and NH2 groups of Arg44, Arg46 and Arg84 in the
! CHIPS-C5aR(P7-28S) complex stereochemically defined during floating assignments
! and initial docking of the peptide substrate to the CHIPS protein.
!

assign (resid  44 and name CD) (resid  44 and name  NE)
       (resid  44 and name CZ) (resid  44 and name NH2) 1.0   180.00    10.00 2

assign (resid  46 and name CD) (resid  46 and name  NE)
       (resid  46 and name CZ) (resid  46 and name NH2) 1.0   180.00    10.00 2

assign (resid  84 and name CD) (resid  84 and name  NE)
       (resid  84 and name CZ) (resid  84 and name NH2) 1.0   180.00    10.00 2

assign (resid  44 and name CD) (resid  44 and name  NE)
       (resid  44 and name CZ) (resid  44 and name NH1) 1.0     0.00    10.00 2

assign (resid  46 and name CD) (resid  46 and name  NE)
       (resid  46 and name CZ) (resid  46 and name NH1) 1.0     0.00    10.00 2

assign (resid  84 and name CD) (resid  84 and name  NE)
       (resid  84 and name CZ) (resid  84 and name NH1) 1.0     0.00    10.00 2

!
! EOF! CHIPS-C5aR(P7-28S) intermolecular restraints from different (isotope-filtered) 2D and
! 3D-NOESY spectra:
! 1. 3D-15N-edited NOESY-HSQC (600 MHz).
! 2. 3D-13C-edited HSQC-NOESY (600 MHz).
! 3. 3D-13C-edited-13C-filtered NOESY-HSQC alifatic (900 MHz, expno20, 200 ms mixing time).
! 4. 3D-13C-edited-13C-filtered NOESY-HSQC aromatics (900 MHz, expno30_nr2, 200 ms mixing time).
! 5. 2D-13C-filtered NOESY (900 MHz, expno8, 200 ms mixing time).
!
! Note that these distance restraints are semi-quantitative upper bound distances.
! No attempt has been made to average the distance upper limit of similar corresponding 
! restraints in the different subtype spectra (1-5). Instead the doublures of restraints between
! same proton pairs has been used as a weighting factor of the experimental data.
! 
! All individual Yasara distance restraints were weighted with scaling factor 10 and
! with scaling factor 2.0 for dihedral angles. Restraining potential used was soft-square to 
! avoid excessive force during docking and refining of the protein-peptide complex.
! Force field of docking: Amber99 with no electrostatics included.
! Force field water refinement: Amber99, explicit solvation, constant pressure,
! periodic boundary conditions and inclusion of long-range electrostatics.
!  
! 1.
! Intermolecular restraints between CHIPS and C5aR(P7-28S) in the CHIPS-C5aR(P7-28S) complex 
! derived from the 3D-15N-edited NOESY-HSQC recorded at 600 MHz.
! Target distances (upper limits) calculated by R^3 scaling of experimental peak intensities . 
! Approximate distance scaling based upon the intense cross peak of HN Val109 and HN
! His13 (2.41 Angstrom).
!
ASSI (RESI  109  AND NAME HN )   (RESI 13   AND NAME HB1  )  4.83   4.83    1.0
ASSI (RESI  109  AND NAME HN )   (RESI 13   AND NAME HN   )  2.41   2.41    1.0
ASSI (RESI  54   AND NAME HN )   (RESI 14   AND NAME HE#  )  3.86   3.86    1.0
ASSI (RESI  55   AND NAME HN )   (RESI 14   AND NAME HE#  )  4.39   4.39    1.0
ASSI (RESI  109  AND NAME HN )   (RESI 14   AND NAME H    )  5.02   5.02    1.0
ASSI (RESI  109  AND NAME HN )   (RESI 15   AND NAME HB1  )  4.38   4.38    1.0
ASSI (RESI  109  AND NAME HN )   (RESI 15   AND NAME HB2  )  4.74   4.74    1.0
ASSI (RESI  109  AND NAME HN )   (RESI 15   AND NAME HN   )  3.49   3.49    1.0
ASSI (RESI  106  AND NAME HN )   (RESI 19   AND NAME HA   )  3.60   3.60    1.0
ASSI (RESI  106  AND NAME HN )   (RESI 19   AND NAME HB   )  3.14   3.14    1.0
ASSI (RESI  106  AND NAME HN )   (RESI 19   AND NAME HG1  )  3.95   3.95    1.0
ASSI (RESI  106  AND NAME HN )   (RESI 19   AND NAME HG2# )  3.83   3.83    1.0
ASSI (RESI  108  AND NAME HN )   (RESI 19   AND NAME HG1  )  4.15   4.15    1.0
ASSI (RESI  106  AND NAME HN )   (RESI 20   AND NAME HB1  )  3.95   3.95    1.0
ASSI (RESI  106  AND NAME HN )   (RESI 20   AND NAME HB2  )  5.38   5.38    1.0
ASSI (RESI  106  AND NAME HN )   ((RESI 20   AND NAME HD1# ) or (RESI 20   AND NAME HD2# )) 3.55   3.55    1.0
ASSI (RESI  106  AND NAME HN )   (RESI 20   AND NAME HN   )  2.75   2.75    1.0
ASSI (RESI  105  AND NAME HN )   (RESI 21   AND NAME HA   )  3.86   3.86    1.0
ASSI (RESI  106  AND NAME HN )   (RESI 21   AND NAME HA   )  2.77   2.77    1.0
ASSI (RESI  105  AND NAME HN )   (RESI 22   AND NAME HN   )  5.36   5.36    1.0
ASSI (RESI  106  AND NAME HN )   (RESI 22   AND NAME HN   )  4.28   4.28    1.0
!
! 2.                                        
! Intermolecular restraints between CHIPS and C5aR(P7-28S) in the CHIPS-C5aR(P7-28S) complex derived from the 
! 3D-13C-edited HSQC-NOESY recorded at 600 MHz.
! Target distances (upper limits) calculated by R^3 scaling of experimental peak intensities . 
! Distance corresponding to the intense peak between HG2# Thr53 and HE# sTyr14 of 2.2 Angstrom is used as
! distance yardstick to have comparable distance target restraints when determined in different
! types of isotope-filtered subspectra.   
!
ASSI (RESI  48   AND NAME HB1 )     (RESI 11   AND NAME HA   )  4.10      4.10       1.0
ASSI (RESI  48   AND NAME HB2 )     (RESI 11   AND NAME HA   )  3.28      3.28       1.0
ASSI (RESI  110  AND NAME HD1#)     (RESI 11   AND NAME HA   )  4.35      4.35       1.0
ASSI (RESI  110  AND NAME HG2#)     (RESI 11   AND NAME HA   )  4.24      4.24       1.0
ASSI (RESI  51   AND NAME HB# )     (RESI 11   AND NAME HB1  )  4.21      4.21       1.0
ASSI (RESI  52   AND NAME HA1 )     (RESI 11   AND NAME HB1  )  4.44      4.44       1.0
ASSI (RESI  52   AND NAME HA2 )     (RESI 11   AND NAME HB1  )  4.76      4.76       1.0
ASSI (RESI  51   AND NAME HB# )     (RESI 11   AND NAME HB2  )  4.83      4.83       1.0
ASSI (RESI  52   AND NAME HA1 )     (RESI 11   AND NAME HB2  )  4.79      4.79       1.0
ASSI (RESI  52   AND NAME HA2 )     (RESI 11   AND NAME HB2  )  4.50      4.50       1.0
ASSI (RESI  48   AND NAME HA  )     (RESI 11   AND NAME HD#  )  3.20      3.20       1.0
ASSI (RESI  48   AND NAME HB1 )     (RESI 11   AND NAME HD#  )  4.45      4.45       1.0
ASSI (RESI  48   AND NAME HB2 )     (RESI 11   AND NAME HD#  )  3.84      3.84       1.0
ASSI (RESI  51   AND NAME HB# )     (RESI 11   AND NAME HD#  )  3.18      3.18       1.0
ASSI (RESI  51   AND NAME HD# )     (RESI 11   AND NAME HD#  )  3.75      3.75       1.0
ASSI (RESI  51   AND NAME HG# )     (RESI 11   AND NAME HD#  )  4.30      4.30       1.0
ASSI (RESI  48   AND NAME HA  )     (RESI 11   AND NAME HE#  )  4.13      4.13       1.0
ASSI (RESI  48   AND NAME HB2 )     (RESI 11   AND NAME HE#  )  5.86      5.86       1.0
ASSI (RESI  51   AND NAME HB# )     (RESI 11   AND NAME HE#  )  3.72      3.72       1.0
ASSI (RESI  51   AND NAME HD# )     (RESI 11   AND NAME HE#  )  3.59      3.59       1.0
ASSI (RESI  51   AND NAME HG# )     (RESI 11   AND NAME HE#  )  4.21      4.21       1.0
! Spin diffusion or incorrect assignment of Ha Val109 - HE# sTyr11 
! ASSI (RESI  109  AND NAME HA  )     (RESI 11   AND NAME HE#  )  3.85      3.85       1.0
ASSI (RESI  110  AND NAME HA  )     (RESI 12   AND NAME HA#  )  2.99      2.99       1.0
ASSI (RESI  110  AND NAME HD1#)     (RESI 12   AND NAME HA1  )  3.50      3.50       1.0
ASSI (RESI  110  AND NAME HG11)     (RESI 12   AND NAME HA1  )  3.58      3.58       1.0
ASSI (RESI  110  AND NAME HG12)     (RESI 12   AND NAME HA1  )  3.69      3.69       1.0
ASSI (RESI  110  AND NAME HG2#)     (RESI 12   AND NAME HA1  )  4.28      4.28       1.0
ASSI (RESI  110  AND NAME HD1#)     (RESI 12   AND NAME HA2  )  4.22      4.22       1.0
ASSI (RESI  110  AND NAME HG11)     (RESI 12   AND NAME HA2  )  3.85      3.85       1.0
ASSI (RESI  110  AND NAME HG12)     (RESI 12   AND NAME HA2  )  3.55      3.55       1.0
ASSI (RESI  110  AND NAME HG2#)     (RESI 12   AND NAME HA2  )  3.67      3.67       1.0
ASSI (RESI  110  AND NAME HA  )     (RESI 12   AND NAME HN   )  4.41      4.41       1.0
ASSI (RESI  110  AND NAME HG11)     (RESI 12   AND NAME HN   )  4.72      4.72       1.0
ASSI (RESI  110  AND NAME HG12)     (RESI 12   AND NAME HN   )  4.63      4.63       1.0
ASSI (RESI  109  AND NAME HB  )     (RESI 13   AND NAME HD2  )  5.66      5.66       1.0
ASSI (RESI  109  AND NAME HG1#)     (RESI 13   AND NAME HD2  )  4.01      4.01       1.0
ASSI (RESI  109  AND NAME HG2#)     (RESI 13   AND NAME HD2  )  2.64      2.64       1.0
ASSI (RESI  109  AND NAME HB  )     (RESI 13   AND NAME HE1  )  4.66      4.66       1.0
ASSI (RESI  109  AND NAME HG1#)     (RESI 13   AND NAME HE1  )  4.55      4.55       1.0
ASSI (RESI  109  AND NAME HG2#)     (RESI 13   AND NAME HE1  )  2.10      2.10       1.0
ASSI (RESI  110  AND NAME HA  )     (RESI 13   AND NAME HN   )  5.07      5.07       1.0
ASSI (RESI  110  AND NAME HG11)     (RESI 13   AND NAME HN   )  4.39      4.39       1.0
ASSI (RESI  110  AND NAME HG12)     (RESI 13   AND NAME HN   )  5.38      5.38       1.0
ASSI (RESI  108  AND NAME HB# )     (RESI 14   AND NAME HA   )  4.11      4.11       1.0
ASSI (RESI  53   AND NAME HA  )     (RESI 14   AND NAME HD#  )  3.38      3.38       1.0
ASSI (RESI  53   AND NAME HB  )     (RESI 14   AND NAME HD#  )  2.91      2.91       1.0
ASSI (RESI  53   AND NAME HG2#)     (RESI 14   AND NAME HD#  )  2.93      2.93       1.0
ASSI (RESI  54   AND NAME HD# )     (RESI 14   AND NAME HD#  )  4.76      4.76       1.0
ASSI (RESI  100  AND NAME HE1 )     (RESI 14   AND NAME HD#  )  4.81      4.81       1.0
ASSI (RESI  100  AND NAME HE2 )     (RESI 14   AND NAME HD#  )  4.97      4.97       1.0
ASSI (RESI  108  AND NAME HB# )     (RESI 14   AND NAME HD#  )  3.12      3.12       1.0
ASSI (RESI  49   AND NAME HD2#)     (RESI 14   AND NAME HE#  )  5.53      5.53       1.0
ASSI (RESI  53   AND NAME HA  )     (RESI 14   AND NAME HE#  )  2.74      2.74       1.0
ASSI (RESI  53   AND NAME HB  )     (RESI 14   AND NAME HE#  )  4.72      4.72       1.0
ASSI (RESI  53   AND NAME HG2#)     (RESI 14   AND NAME HE#  )  2.23      2.23       1.0
ASSI (RESI  54   AND NAME HD# )     (RESI 14   AND NAME HE#  )  5.49      5.49       1.0
ASSI (RESI  100  AND NAME HE1 )     (RESI 14   AND NAME HE#  )  3.37      3.37       1.0
ASSI (RESI  100  AND NAME HE2 )     (RESI 14   AND NAME HE#  )  3.26      3.26       1.0
ASSI (RESI  108  AND NAME HB# )     (RESI 14   AND NAME HE#  )  5.20      5.20       1.0
ASSI (RESI  109  AND NAME HB  )     (RESI 15   AND NAME HB1  )  5.06      5.06       1.0
ASSI (RESI  109  AND NAME HG1#)     (RESI 15   AND NAME HB1  )  2.92      2.92       1.0
ASSI (RESI  109  AND NAME HG2#)     (RESI 15   AND NAME HB1  )  2.39      2.39       1.0
ASSI (RESI  109  AND NAME HB  )     (RESI 15   AND NAME HB2  )  5.05      5.05       1.0
ASSI (RESI  109  AND NAME HG1#)     (RESI 15   AND NAME HB2  )  4.16      4.16       1.0
ASSI (RESI  109  AND NAME HG2#)     (RESI 15   AND NAME HB2  )  2.73      2.73       1.0
ASSI (RESI  108  AND NAME HA  )     (RESI 15   AND NAME HN   )  3.02      3.02       1.0
ASSI (RESI  109  AND NAME HG2#)     (RESI 15   AND NAME HN   )  4.53      4.53       1.0
ASSI (RESI  109  AND NAME HG2#)     (RESI 18   AND NAME HB2  )  4.19      4.19       1.0
ASSI (RESI  105  AND NAME HB# )     (RESI 19   AND NAME HB   )  4.12      4.12       1.0
ASSI (RESI  105  AND NAME HG1 )     (RESI 19   AND NAME HB   )  2.60      2.60       1.0
ASSI (RESI  105  AND NAME HG2 )     (RESI 19   AND NAME HB   )  2.44      2.44       1.0
ASSI (RESI  106  AND NAME HA  )     (RESI 19   AND NAME HG1  )  4.93      4.93       1.0
ASSI (RESI  106  AND NAME HB1 )     (RESI 19   AND NAME HG1  )  3.79      3.79       1.0
ASSI (RESI  106  AND NAME HB2 )     (RESI 19   AND NAME HG1  )  4.01      4.01       1.0
ASSI (RESI  105  AND NAME HB# )     (RESI 19   AND NAME HG2# )  3.06      3.06       1.0
ASSI (RESI  105  AND NAME HG1 )     (RESI 19   AND NAME HG2# )  2.97      2.97       1.0
ASSI (RESI  105  AND NAME HG2 )     (RESI 19   AND NAME HG2# )  2.96      2.96       1.0
ASSI (RESI  107  AND NAME HA  )     (RESI 19   AND NAME HG2# )  4.13      4.13       1.0
ASSI (RESI  106  AND NAME HB2 )     (RESI 20   AND NAME HB1  )  5.22      5.22       1.0
ASSI (RESI  63   AND NAME HA  )     ((RESI  20  AND NAME HD1# ) or (RESI  20  AND NAME HD2# ))  4.56      4.56       1.0
ASSI (RESI  63   AND NAME HB  )     ((RESI  20  AND NAME HD1# ) or (RESI  20  AND NAME HD2# ))  2.36      2.36       1.0
ASSI (RESI  63   AND NAME HG2#)     ((RESI  20  AND NAME HD1# ) or (RESI  20  AND NAME HD2# ))  1.65      1.65       1.0
! Additional four intermolecular NOE's in final iteration of structure determination
ASSI (RESI  65   AND NAME HD1#)     ((RESI  20  AND NAME HD1# ) or (RESI  20  AND NAME HD2# ))  2.30      2.30       1.0
ASSI (RESI  65   AND NAME HD1# )    (RESI  20  AND NAME HB2  )                                  3.78      3.78       1.0
ASSI (RESI  97   AND NAME HB1 )     ((RESI  20  AND NAME HD1# ) or (RESI  20  AND NAME HD2# ))  4.30      4.30       1.0
ASSI (RESI  97   AND NAME HB2 )     ((RESI  20  AND NAME HD1# ) or (RESI  20  AND NAME HD2# ))  3.39      3.39       1.0
! 
ASSI (RESI  105  AND NAME HA  )     (RESI 21   AND NAME HA   )  2.38      2.38       1.0
ASSI (RESI  105  AND NAME HB# )     (RESI 21   AND NAME HA   )  3.82      3.82       1.0
ASSI (RESI  105  AND NAME HG1 )     (RESI 21   AND NAME HA   )  4.70      4.70       1.0
ASSI (RESI  105  AND NAME HG2 )     (RESI 21   AND NAME HA   )  4.44      4.44       1.0
ASSI (RESI  105  AND NAME HB# )     (RESI 21   AND NAME HB1  )  6.47      6.47       1.0
ASSI (RESI  105  AND NAME HB# )     (RESI 21   AND NAME HB2  )  4.01      4.01       1.0
ASSI (RESI  104  AND NAME HA  )     (RESI 22   AND NAME HB1  )  4.40      4.40       1.0
ASSI (RESI  104  AND NAME HB1 )     (RESI 22   AND NAME HB1  )  4.09      4.09       1.0
ASSI (RESI  104  AND NAME HB2 )     (RESI 22   AND NAME HB1  )  4.27      4.27       1.0
ASSI (RESI  104  AND NAME HA  )     (RESI 22   AND NAME HB2  )  4.10      4.10       1.0
ASSI (RESI  104  AND NAME HB1 )     (RESI 22   AND NAME HB2  )  4.05      4.05       1.0
ASSI (RESI  104  AND NAME HB2 )     (RESI 22   AND NAME HB2  )  5.26      5.26       1.0
ASSI (RESI  61   AND NAME HE2 )     (RESI 22   AND NAME HD1# )  4.15      4.15       1.0
ASSI (RESI  63   AND NAME HG2#)     (RESI 22   AND NAME HD1# )  2.99      2.99       1.0
ASSI (RESI  104  AND NAME HA  )     (RESI 22   AND NAME HD1# )  6.38      6.38       1.0
ASSI (RESI  61   AND NAME HD1 )     (RESI 22   AND NAME HD2# )  4.23      4.23       1.0
ASSI (RESI  61   AND NAME HD2 )     (RESI 22   AND NAME HD2# )  4.18      4.18       1.0
ASSI (RESI  61   AND NAME HE1 )     (RESI 22   AND NAME HD2# )  2.65      2.65       1.0
ASSI (RESI  61   AND NAME HE2 )     (RESI 22   AND NAME HD2# )  2.04      2.04       1.0
ASSI (RESI  104  AND NAME HA  )     (RESI 22   AND NAME HD2# )  3.03      3.03       1.0
ASSI (RESI  104  AND NAME HB1 )     (RESI 22   AND NAME HD2# )  4.89      4.89       1.0
ASSI (RESI  104  AND NAME HB2 )     (RESI 22   AND NAME HD2# )  4.56      4.56       1.0
ASSI (RESI  104  AND NAME HA  )     (RESI 22   AND NAME HN   )  5.17      5.17       1.0
ASSI (RESI  104  AND NAME HB1 )     (RESI 22   AND NAME HN   )  4.39      4.39       1.0
ASSI (RESI  104  AND NAME HB2 )     (RESI 22   AND NAME HN   )  5.08      5.08       1.0
ASSI (RESI  105  AND NAME HA  )     (RESI 22   AND NAME HN   )  3.58      3.58       1.0
ASSI (RESI  104  AND NAME HB1 )     (RESI 23   AND NAME HD21 )  5.46      5.46       1.0
ASSI (RESI  104  AND NAME HB1 )     (RESI 23   AND NAME HD22 )  5.62      5.62       1.0
ASSI (RESI  104  AND NAME HB2 )     (RESI 23   AND NAME HD22 )  5.61      5.61       1.0
!                                            
! 3.
! CHIPS complex CHIPS-C5aR(P7-28S) intermolecular distance restraints.
! 3D-13C-edited-13C filtered HSQC-NOESY alifatic (900 MHz, expno20, 200 ms mixing time).
! Spin diffusion low intensity peaks translated into distance restraints using 
! empirical R^4.5 translation, i.e. just inbetween R^3 and R^6 relaxation averaging.
! Intensity of the HG2# Thr53 - HE# sTyr14 NOE peak is scaled to a yardstick distance
! of approx. 2.2 angstrom.
!
ASSI (RESI  44   AND NAME HD1  )   (RESI 11  AND NAME HE#  )  4.89   4.89    1.0 
!ASSI (RESI  45   AND NAME HA   )   (RESI 11  AND NAME HD#  )  4.88   4.88    1.0 ! Spin diffusion
!ASSI (RESI  45   AND NAME HD2# )   (RESI 11  AND NAME HD#  )  4.55   4.55    1.0 ! Spin diffusion
!ASSI (RESI  45   AND NAME HD2# )   (RESI 11  AND NAME HE#  )  4.25   4.25    1.0 ! Spin diffusion
ASSI (RESI  47   AND NAME HA   )   (RESI 11  AND NAME HD#  )  5.03   5.03    1.0
ASSI (RESI  47   AND NAME HB1  )   (RESI 11  AND NAME HD#  )  5.60   5.60    1.0
ASSI (RESI  47   AND NAME HB1  )   (RESI 11  AND NAME HE#  )  6.02   6.02    1.0
ASSI (RESI  47   AND NAME HB2  )   (RESI 11  AND NAME HD#  )  5.64   5.64    1.0
ASSI (RESI  47   AND NAME HB2  )   (RESI 11  AND NAME HE#  )  4.77   4.77    1.0
ASSI (RESI  48   AND NAME HA   )   (RESI 11  AND NAME HB1  )  4.65   4.65    1.0
ASSI (RESI  48   AND NAME HA   )   (RESI 11  AND NAME HB2  )  4.31   4.31    1.0
ASSI (RESI  48   AND NAME HA   )   (RESI 11  AND NAME HD#  )  2.78   2.78    1.0
ASSI (RESI  48   AND NAME HA   )   (RESI 11  AND NAME HE#  )  3.19   3.19    1.0
ASSI (RESI  48   AND NAME HB1  )   (RESI 11  AND NAME HD#  )  3.62   3.62    1.0
ASSI (RESI  48   AND NAME HB1  )   (RESI 11  AND NAME HE#  )  4.45   4.45    1.0
ASSI (RESI  48   AND NAME HB2  )   (RESI 11  AND NAME HD#  )  3.34   3.34    1.0
ASSI (RESI  48   AND NAME HB2  )   (RESI 11  AND NAME HE#  )  4.09   4.09    1.0
ASSI (RESI  49   AND NAME HA   )   (RESI 11  AND NAME HD#  )  5.32   5.32    1.0
ASSI (RESI  49   AND NAME HA   )   (RESI 14  AND NAME HE#  )  5.27   5.27    1.0
ASSI (RESI  49   AND NAME HD1# )   (RESI 14  AND NAME HE#  )  5.31   5.31    1.0
ASSI (RESI  49   AND NAME HD2# )   (RESI 14  AND NAME HD#  )  4.93   4.93    1.0
ASSI (RESI  49   AND NAME HD2# )   (RESI 14  AND NAME HE#  )  3.83   3.83    1.0
ASSI (RESI  51   AND NAME HA   )   (RESI 11  AND NAME HB1  )  5.13   5.13    1.0
ASSI (RESI  51   AND NAME HA   )   (RESI 11  AND NAME HB2  )  5.30   5.30    1.0
ASSI (RESI  51   AND NAME HA   )   (RESI 11  AND NAME HD#  )  3.95   3.95    1.0
ASSI (RESI  51   AND NAME HA   )   (RESI 11  AND NAME HE#  )  3.94   3.94    1.0
ASSI (RESI  51   AND NAME HB#  )   (RESI 11  AND NAME HB1  )  4.35   4.35    1.0
ASSI (RESI  51   AND NAME HB#  )   (RESI 11  AND NAME HB2  )  4.18   4.18    1.0
ASSI (RESI  51   AND NAME HB#  )   (RESI 11  AND NAME HD#  )  2.95   2.95    1.0
ASSI (RESI  51   AND NAME HB#  )   (RESI 11  AND NAME HE#  )  2.96   2.96    1.0
ASSI (RESI  51   AND NAME HB#  )   (RESI 11  AND NAME H    )  5.93   5.93    1.0
ASSI (RESI  51   AND NAME HD#  )   (RESI 11  AND NAME HB1  )  5.07   5.07    1.0
ASSI (RESI  51   AND NAME HD#  )   (RESI 11  AND NAME HB2  )  4.79   4.79    1.0
ASSI (RESI  51   AND NAME HD#  )   (RESI 11  AND NAME HD#  )  3.08   3.08    1.0
ASSI (RESI  51   AND NAME HD#  )   (RESI 11  AND NAME HE#  )  2.63   2.63    1.0
ASSI (RESI  51   AND NAME HE#  )   (RESI 11  AND NAME HD#  )  3.47   3.47    1.0
ASSI (RESI  51   AND NAME HE#  )   (RESI 11  AND NAME HE#  )  3.06   3.06    1.0
ASSI (RESI  51   AND NAME HG#  )   (RESI 11  AND NAME HB1  )  5.07   5.07    1.0
ASSI (RESI  51   AND NAME HG#  )   (RESI 11  AND NAME HB2  )  4.77   4.77    1.0
ASSI (RESI  51   AND NAME HG#  )   (RESI 11  AND NAME HD#  )  3.28   3.28    1.0
ASSI (RESI  51   AND NAME HG#  )   (RESI 11  AND NAME HE#  )  3.06   3.06    1.0
ASSI (RESI  52   AND NAME HA1  )   (RESI 11  AND NAME HB1  )  4.67   4.67    1.0
ASSI (RESI  52   AND NAME HA1  )   (RESI 11  AND NAME HB2  )  4.21   4.21    1.0
ASSI (RESI  52   AND NAME HA1  )   (RESI 11  AND NAME HD#  )  4.10   4.10    1.0
ASSI (RESI  52   AND NAME HA1  )   (RESI 11  AND NAME HE#  )  5.01   5.01    1.0
ASSI (RESI  52   AND NAME HA1  )   (RESI 11  AND NAME H    )  5.57   5.57    1.0
ASSI (RESI  52   AND NAME HA1  )   (RESI 12  AND NAME HN   )  5.76   5.76    1.0
ASSI (RESI  52   AND NAME HA2  )   (RESI 11  AND NAME HB1  )  4.35   4.35    1.0
ASSI (RESI  52   AND NAME HA2  )   (RESI 11  AND NAME HB2  )  4.07   4.07    1.0
ASSI (RESI  52   AND NAME HA2  )   (RESI 11  AND NAME HD#  )  3.78   3.78    1.0
ASSI (RESI  52   AND NAME HA2  )   (RESI 11  AND NAME HE#  )  4.50   4.50    1.0
ASSI (RESI  52   AND NAME HA2  )   (RESI 11  AND NAME H    )  5.63   5.63    1.0
ASSI (RESI  52   AND NAME HA2  )   (RESI 12  AND NAME HN   )  5.29   5.29    1.0
ASSI (RESI  53   AND NAME HA   )   (RESI 14  AND NAME HD#  )  3.58   3.58    1.0
ASSI (RESI  53   AND NAME HA   )   (RESI 14  AND NAME HE#  )  2.38   2.38    1.0
ASSI (RESI  53   AND NAME HB   )   (RESI 14  AND NAME HD#  )  4.80   4.80    1.0
ASSI (RESI  53   AND NAME HB   )   (RESI 14  AND NAME HE#  )  3.16   3.16    1.0
ASSI (RESI  53   AND NAME HG2# )   (RESI 14  AND NAME HD#  )  3.25   3.25    1.0
ASSI (RESI  53   AND NAME HG2# )   (RESI 14  AND NAME HE#  )  2.21   2.21    1.0
ASSI (RESI  53   AND NAME HG2# )   (RESI 14  AND NAME H    )  4.96   4.96    1.0
ASSI (RESI  54   AND NAME HA   )   (RESI 14  AND NAME HE#  )  4.12   4.12    1.0
ASSI (RESI  54   AND NAME HB#  )   (RESI 14  AND NAME HE#  )  6.0    6.0     1.0 ! overlap 3.82 --> 6.0
ASSI (RESI  54   AND NAME HB#  )   (RESI 14  AND NAME HD#  )  5.26   5.26    1.0
ASSI (RESI  54   AND NAME HD#  )   (RESI 14  AND NAME HD#  )  5.02   5.02    1.0
ASSI (RESI  54   AND NAME HD#  )   (RESI 14  AND NAME HE#  )  3.92   3.92    1.0
ASSI (RESI  54   AND NAME HE#  )   (RESI 14  AND NAME HE#  )  3.81   3.81    1.0
ASSI (RESI  54   AND NAME HG#  )   (RESI 14  AND NAME HE#  )  4.11   4.11    1.0
ASSI (RESI  54   AND NAME HG1  )   (RESI 14  AND NAME HD#  )  4.84   4.84    1.0
ASSI (RESI  56   AND NAME HA   )   (RESI 14  AND NAME HE#  )  4.99   4.99    1.0
ASSI (RESI  58   AND NAME HG1  )   (RESI 14  AND NAME HE#  )  5.09   5.09    1.0
ASSI (RESI  58   AND NAME HG2  )   (RESI 14  AND NAME HE#  )  5.14   5.14    1.0
ASSI (RESI  61   AND NAME HB1  )   (RESI 22  AND NAME HD2# )  5.85   5.85    1.0
ASSI (RESI  61   AND NAME HB2  )   (RESI 22  AND NAME HD2# )  5.07   5.07    1.0
ASSI (RESI  61   AND NAME HD1  )   (RESI 22  AND NAME HD1# )  5.36   5.36    1.0
ASSI (RESI  61   AND NAME HD1  )   (RESI 22  AND NAME HD2# )  3.95   3.95    1.0
ASSI (RESI  61   AND NAME HD2  )   (RESI 22  AND NAME HD1# )  4.60   4.60    1.0
ASSI (RESI  61   AND NAME HD2  )   (RESI 22  AND NAME HD2# )  3.63   3.63    1.0
ASSI (RESI  61   AND NAME HE1  )   (RESI 22  AND NAME HB2  )  5.44   5.44    1.0
ASSI (RESI  61   AND NAME HE1  )   (RESI 22  AND NAME HD1# )  4.24   4.24    1.0
ASSI (RESI  61   AND NAME HE1  )   (RESI 22  AND NAME HD2# )  2.97   2.97    1.0
ASSI (RESI  61   AND NAME HE2  )   (RESI 22  AND NAME HB2  )  4.83   4.83    1.0
ASSI (RESI  61   AND NAME HE2  )   (RESI 22  AND NAME HD1# )  3.99   3.99    1.0
ASSI (RESI  61   AND NAME HE2  )   (RESI 22  AND NAME HD2# )  2.60   2.60    1.0
ASSI (RESI  61   AND NAME HG1  )   (RESI 22  AND NAME HD1# )  5.33   5.33    1.0
ASSI (RESI  61   AND NAME HG1  )   (RESI 22  AND NAME HD2# )  4.71   4.71    1.0
ASSI (RESI  61   AND NAME HG2  )   (RESI 22  AND NAME HD1# )  5.60   5.60    1.0
ASSI (RESI  61   AND NAME HG2  )   (RESI 22  AND NAME HD2# )  4.32   4.32    1.0
ASSI (RESI  63   AND NAME HA   )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  4.05   4.05    1.0
ASSI (RESI  63   AND NAME HA   )   (RESI 22  AND NAME HD1# )  5.01   5.01    1.0
ASSI (RESI  63   AND NAME HB   )   (RESI 20  AND NAME HB1  )  4.86   4.86    1.0
ASSI (RESI  63   AND NAME HB   )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  2.72   2.72    1.0
ASSI (RESI  63   AND NAME HB   )   (RESI 22  AND NAME HB2  )  5.55   5.55    1.0
ASSI (RESI  63   AND NAME HB   )   (RESI 22  AND NAME HD1# )  4.29   4.29    1.0
ASSI (RESI  63   AND NAME HB   )   (RESI 22  AND NAME HD2# )  4.50   4.50    1.0
ASSI (RESI  63   AND NAME HG1# )   (RESI 20  AND NAME HB1  )  4.89   4.89    1.0
ASSI (RESI  63   AND NAME HG1# )   (RESI 20  AND NAME HB2  )  4.97   4.97    1.0
ASSI (RESI  63   AND NAME HG1# )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  2.35   2.35    1.0
ASSI (RESI  63   AND NAME HG1# )   (RESI 20  AND NAME HG   )  4.54   4.54    1.0
ASSI (RESI  63   AND NAME HG1# )   (RESI 22  AND NAME HB2  )  3.99   3.99    1.0
ASSI (RESI  63   AND NAME HG1# )   (RESI 22  AND NAME HD1# )  2.59   2.59    1.0
ASSI (RESI  63   AND NAME HG1# )   (RESI 22  AND NAME HD2# )  2.72   2.72    1.0
! ASSI (RESI  63   AND NAME HG1# )   (RESI 22  AND NAME HN   )  4.78   4.78    1.0 ! spin diffusion
ASSI (RESI  63   AND NAME HG2# )   (RESI 20  AND NAME HB1  )  4.48   4.48    1.0
ASSI (RESI  63   AND NAME HG2# )   (RESI 20  AND NAME HB2  )  5.07   5.07    1.0
ASSI (RESI  63   AND NAME HG2# )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  2.06   2.06    1.0
ASSI (RESI  63   AND NAME HG2# )   (RESI 20  AND NAME HG   )  5.26   5.26    1.0
ASSI (RESI  63   AND NAME HG2# )   (RESI 22  AND NAME HB2  )  5.08   5.08    1.0
ASSI (RESI  63   AND NAME HG2# )   (RESI 22  AND NAME HD1# )  3.38   3.38    1.0
ASSI (RESI  63   AND NAME HG2# )   (RESI 22  AND NAME HD2# )  3.83   3.83    1.0
ASSI (RESI  64   AND NAME HA   )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  5.05   5.05    1.0
ASSI (RESI  65   AND NAME HA   )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  5.15   5.15    1.0
ASSI (RESI  65   AND NAME HB1  )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  5.74   5.74    1.0
ASSI (RESI  65   AND NAME HB2  )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  4.91   4.91    1.0
ASSI (RESI  65   AND NAME HD1# )   (RESI 20  AND NAME HB1  )  3.65   3.65    1.0
ASSI (RESI  65   AND NAME HD1# )   (RESI 20  AND NAME HB2  )  4.72   4.72    1.0
ASSI (RESI  65   AND NAME HD1# )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  2.37   2.37    1.0
ASSI (RESI  65   AND NAME HD1# )   (RESI 20  AND NAME HN   )  5.06   5.06    1.0
ASSI (RESI  65   AND NAME HD1# )   (RESI 21  AND NAME HN   )  5.24   5.24    1.0
ASSI (RESI  65   AND NAME HD2# )   (RESI 20  AND NAME HB2  )  5.31   5.31    1.0
ASSI (RESI  65   AND NAME HD2# )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  2.25   2.25    1.0
ASSI (RESI  65   AND NAME HG   )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  3.55   3.55    1.0
ASSI (RESI  71   AND NAME HE#  )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  2.73   2.73    1.0
ASSI (RESI  71   AND NAME HE#  )   (RESI 22  AND NAME HD1# )  3.85   3.85    1.0
ASSI (RESI  71   AND NAME HE#  )   (RESI 22  AND NAME HD2# )  4.85   4.85    1.0
ASSI (RESI  73   AND NAME HA   )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  5.14   5.14    1.0
ASSI (RESI  73   AND NAME HA   )   (RESI 22  AND NAME HD1# )  7.33   7.33    1.0
! ASSI (RESI  73   AND NAME HG2# )   (RESI 22  AND NAME HB2  )  5.37   5.37    1.0 ! spin diffusion
ASSI (RESI  73   AND NAME HG2# )   (RESI 22  AND NAME HD1# )  3.94   3.94    1.0
ASSI (RESI  73   AND NAME HG2# )   (RESI 22  AND NAME HD2# )  3.70   3.70    1.0
ASSI (RESI  75   AND NAME HE#  )   (RESI 22  AND NAME HD2# )  5.58   5.58    1.0
ASSI (RESI  93   AND NAME HE#  )   (RESI 11  AND NAME HD#  )  5.16   5.16    1.0
ASSI (RESI  93   AND NAME HE#  )   (RESI 11  AND NAME HE#  )  4.38   4.38    1.0
ASSI (RESI  96   AND NAME HA   )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  4.79   4.79    1.0
ASSI (RESI  97   AND NAME HA   )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  4.07   4.07    1.0
ASSI (RESI  97   AND NAME HB1  )   (RESI 19  AND NAME HG1  )  4.73   4.73    1.0
ASSI (RESI  97   AND NAME HB1  )   (RESI 20  AND NAME HB1  )  4.87   4.87    1.0
ASSI (RESI  97   AND NAME HB1  )   (RESI 20  AND NAME HB2  )  5.61   5.61    1.0
ASSI (RESI  97   AND NAME HB1  )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  3.55   3.55    1.0
ASSI (RESI  97   AND NAME HB1  )   (RESI 20  AND NAME HN   )  4.89   4.89    1.0
ASSI (RESI  97   AND NAME HB1  )   (RESI 22  AND NAME HD1# )  5.67   5.67    1.0
ASSI (RESI  97   AND NAME HB2  )   (RESI 19  AND NAME HG1  )  4.92   4.92    1.0
ASSI (RESI  97   AND NAME HB2  )   (RESI 20  AND NAME HB1  )  5.07   5.07    1.0
ASSI (RESI  97   AND NAME HB2  )   (RESI 20  AND NAME HB2  )  5.13   5.13    1.0
ASSI (RESI  97   AND NAME HB2  )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  3.41   3.41    1.0
ASSI (RESI  97   AND NAME HB2  )   (RESI 20  AND NAME HN   )  4.84   4.84    1.0
ASSI (RESI  97   AND NAME HB2  )   (RESI 22  AND NAME HD1# )  5.85   5.85    1.0
ASSI (RESI  97   AND NAME HB2  )   (RESI 22  AND NAME HN   )  6.36   6.36    1.0
ASSI (RESI  97   AND NAME HD#  )   (RESI 20  AND NAME HB2  )  5.26   5.26    1.0
ASSI (RESI  97   AND NAME HE#  )   (RESI 20  AND NAME HB1  )  4.55   4.55    1.0
ASSI (RESI  97   AND NAME HE#  )   (RESI 20  AND NAME HB2  )  4.80   4.80    1.0
ASSI (RESI  97   AND NAME HE#  )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  3.07   3.07    1.0
ASSI (RESI  99   AND NAME HB1  )   (RESI 22  AND NAME HD2# )  5.47   5.47    1.0
ASSI (RESI  99   AND NAME HB2  )   (RESI 22  AND NAME HD2# )  5.08   5.08    1.0
ASSI (RESI  100  AND NAME HD1  )   (RESI 14  AND NAME HE#  )  4.40   4.40    1.0
ASSI (RESI  100  AND NAME HD2  )   (RESI 14  AND NAME HE#  )  4.41   4.41    1.0
ASSI (RESI  100  AND NAME HE1  )   (RESI 14  AND NAME HD#  )  3.73   3.73    1.0
ASSI (RESI  100  AND NAME HE1  )   (RESI 14  AND NAME HE#  )  2.94   2.94    1.0
ASSI (RESI  100  AND NAME HE2  )   (RESI 14  AND NAME HD#  )  4.09   4.09    1.0
ASSI (RESI  100  AND NAME HE2  )   (RESI 14  AND NAME HE#  )  2.99   2.99    1.0
ASSI (RESI  100  AND NAME HG1  )   (RESI 14  AND NAME HE#  )  4.87   4.87    1.0
ASSI (RESI  100  AND NAME HG2  )   (RESI 14  AND NAME HE#  )  4.97   4.97    1.0
ASSI (RESI  104  AND NAME HA   )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  5.56   5.56    1.0
ASSI (RESI  104  AND NAME HA   )   (RESI 22  AND NAME HB1  )  3.92   3.92    1.0
ASSI (RESI  104  AND NAME HA   )   (RESI 22  AND NAME HB2  )  3.75   3.75    1.0
ASSI (RESI  104  AND NAME HA   )   (RESI 22  AND NAME HD1# )  4.22   4.22    1.0
ASSI (RESI  104  AND NAME HA   )   (RESI 22  AND NAME HD2# )  3.05   3.05    1.0
ASSI (RESI  104  AND NAME HA   )   (RESI 22  AND NAME HN   )  4.36   4.36    1.0
ASSI (RESI  104  AND NAME HA   )   (RESI 23  AND NAME HB1  )  5.69   5.69    1.0
ASSI (RESI  104  AND NAME HA   )   (RESI 23  AND NAME HB2  )  5.77   5.77    1.0
ASSI (RESI  104  AND NAME HA   )   (RESI 23  AND NAME HD21 )  5.86   5.86    1.0
ASSI (RESI  104  AND NAME HA   )   (RESI 23  AND NAME HN   )  5.11   5.11    1.0
ASSI (RESI  104  AND NAME HB1  )   (RESI 22  AND NAME HB1  )  4.10   4.10    1.0
ASSI (RESI  104  AND NAME HB1  )   (RESI 22  AND NAME HB2  )  3.92   3.92    1.0
ASSI (RESI  104  AND NAME HB1  )   (RESI 22  AND NAME HD1# )  4.72   4.72    1.0
ASSI (RESI  104  AND NAME HB1  )   (RESI 22  AND NAME HD2# )  3.88   3.88    1.0
ASSI (RESI  104  AND NAME HB1  )   (RESI 22  AND NAME HN   )  4.32   4.32    1.0
ASSI (RESI  104  AND NAME HB1  )   (RESI 23  AND NAME HB1  )  4.45   4.45    1.0
ASSI (RESI  104  AND NAME HB1  )   (RESI 23  AND NAME HB2  )  4.67   4.67    1.0
ASSI (RESI  104  AND NAME HB1  )   (RESI 23  AND NAME HD21 )  5.40   5.40    1.0
ASSI (RESI  104  AND NAME HB1  )   (RESI 23  AND NAME HD22 )  4.47   4.47    1.0
ASSI (RESI  104  AND NAME HB1  )   (RESI 23  AND NAME HN   )  4.76   4.76    1.0
ASSI (RESI  104  AND NAME HB2  )   (RESI 22  AND NAME HB1  )  4.11   4.11    1.0
ASSI (RESI  104  AND NAME HB2  )   (RESI 22  AND NAME HB2  )  4.00   4.00    1.0
ASSI (RESI  104  AND NAME HB2  )   (RESI 22  AND NAME HD1# )  4.73   4.73    1.0
ASSI (RESI  104  AND NAME HB2  )   (RESI 22  AND NAME HD2# )  4.19   4.19    1.0
ASSI (RESI  104  AND NAME HB2  )   (RESI 22  AND NAME HN   )  4.38   4.38    1.0
ASSI (RESI  104  AND NAME HB2  )   (RESI 23  AND NAME HB1  )  4.75   4.75    1.0
ASSI (RESI  104  AND NAME HB2  )   (RESI 23  AND NAME HB2  )  4.61   4.61    1.0
ASSI (RESI  104  AND NAME HB2  )   (RESI 23  AND NAME HD21 )  5.06   5.06    1.0
ASSI (RESI  104  AND NAME HB2  )   (RESI 23  AND NAME HD22 )  4.46   4.46    1.0
ASSI (RESI  104  AND NAME HB2  )   (RESI 23  AND NAME HN   )  4.98   4.98    1.0
ASSI (RESI  105  AND NAME HA   )   (RESI 19  AND NAME HB   )  4.88   4.88    1.0
ASSI (RESI  105  AND NAME HA   )   (RESI 19  AND NAME HG2# )  5.10   5.10    1.0
ASSI (RESI  105  AND NAME HA   )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  4.18   4.18    1.0
ASSI (RESI  105  AND NAME HA   )   (RESI 20  AND NAME HN   )  4.39   4.39    1.0
ASSI (RESI  105  AND NAME HA   )   (RESI 21  AND NAME HA   )  3.87   3.87    1.0
ASSI (RESI  105  AND NAME HA   )   (RESI 21  AND NAME HB1  )  4.48   4.48    1.0
ASSI (RESI  105  AND NAME HA   )   (RESI 21  AND NAME HB2  )  4.17   4.17    1.0
ASSI (RESI  105  AND NAME HA   )   (RESI 21  AND NAME HN   )  4.42   4.42    1.0
ASSI (RESI  105  AND NAME HA   )   (RESI 22  AND NAME HB2  )  4.54   4.54    1.0
ASSI (RESI  105  AND NAME HA   )   (RESI 22  AND NAME HD1# )  4.90   4.90    1.0
ASSI (RESI  105  AND NAME HA   )   (RESI 22  AND NAME HD2# )  4.85   4.85    1.0
ASSI (RESI  105  AND NAME HA   )   (RESI 22  AND NAME HN   )  3.69   3.69    1.0
ASSI (RESI  105  AND NAME HA   )   (RESI 23  AND NAME HN   )  6.19   6.19    1.0
ASSI (RESI  105  AND NAME HB#  )   (RESI 19  AND NAME HB   )  4.15   4.15    1.0
ASSI (RESI  105  AND NAME HB#  )   (RESI 19  AND NAME HG2# )  3.72   3.72    1.0
ASSI (RESI  105  AND NAME HB#  )   (RESI 20  AND NAME HN   )  4.58   4.58    1.0
ASSI (RESI  105  AND NAME HB#  )   (RESI 21  AND NAME HA   )  4.83   4.83    1.0
ASSI (RESI  105  AND NAME HB#  )   (RESI 21  AND NAME HB1  )  4.75   4.75    1.0
ASSI (RESI  105  AND NAME HB#  )   (RESI 21  AND NAME HB2  )  4.89   4.89    1.0
ASSI (RESI  105  AND NAME HB#  )   (RESI 21  AND NAME HN   )  5.21   5.21    1.0
ASSI (RESI  105  AND NAME HB#  )   (RESI 22  AND NAME HN   )  4.57   4.57    1.0
ASSI (RESI  105  AND NAME HD#  )   (RESI 19  AND NAME HB   )  3.57   3.57    1.0
ASSI (RESI  105  AND NAME HD#  )   (RESI 19  AND NAME HG2# )  2.86   2.86    1.0
ASSI (RESI  105  AND NAME HD#  )   (RESI 20  AND NAME HN   )  4.66   4.66    1.0
ASSI (RESI  105  AND NAME HD#  )   (RESI 21  AND NAME HA   )  5.05   5.05    1.0
ASSI (RESI  105  AND NAME HD#  )   (RESI 21  AND NAME HB1  )  4.20   4.20    1.0
ASSI (RESI  105  AND NAME HD#  )   (RESI 21  AND NAME HB2  )  3.89   3.89    1.0
ASSI (RESI  105  AND NAME HD#  )   (RESI 21  AND NAME HN   )  4.68   4.68    1.0
ASSI (RESI  105  AND NAME HD#  )   (RESI 22  AND NAME HN   )  4.82   4.82    1.0
ASSI (RESI  105  AND NAME HE#  )   (RESI 19  AND NAME HB   )  3.80   3.80    1.0
ASSI (RESI  105  AND NAME HE#  )   (RESI 19  AND NAME HG2# )  2.91   2.91    1.0
ASSI (RESI  105  AND NAME HE#  )   (RESI 21  AND NAME HA   )  5.43   5.43    1.0
ASSI (RESI  105  AND NAME HE#  )   (RESI 21  AND NAME HB2  )  3.89   3.89    1.0
ASSI (RESI  105  AND NAME HE#  )   (RESI 21  AND NAME HN   )  4.68   4.68    1.0
ASSI (RESI  105  AND NAME HE#  )   (RESI 22  AND NAME HN   )  5.42   5.42    1.0
ASSI (RESI  105  AND NAME HG1  )   (RESI 19  AND NAME HB   )  3.63   3.63    1.0
ASSI (RESI  105  AND NAME HG1  )   (RESI 19  AND NAME HG2# )  3.53   3.53    1.0
ASSI (RESI  105  AND NAME HG1  )   (RESI 20  AND NAME HN   )  4.51   4.51    1.0
ASSI (RESI  105  AND NAME HG1  )   (RESI 21  AND NAME HA   )  4.92   4.92    1.0
ASSI (RESI  105  AND NAME HG1  )   (RESI 21  AND NAME HB1  )  4.89   4.89    1.0
ASSI (RESI  105  AND NAME HG1  )   (RESI 21  AND NAME HB2  )  4.29   4.29    1.0
ASSI (RESI  105  AND NAME HG1  )   (RESI 21  AND NAME HN   )  5.13   5.13    1.0
ASSI (RESI  105  AND NAME HG1  )   (RESI 22  AND NAME HN   )  4.96   4.96    1.0
ASSI (RESI  105  AND NAME HG2  )   (RESI 19  AND NAME HB   )  3.48   3.48    1.0
ASSI (RESI  105  AND NAME HG2  )   (RESI 19  AND NAME HG2# )  3.51   3.51    1.0
ASSI (RESI  105  AND NAME HG2  )   (RESI 20  AND NAME HN   )  4.34   4.34    1.0
ASSI (RESI  105  AND NAME HG2  )   (RESI 21  AND NAME HA   )  5.09   5.09    1.0
ASSI (RESI  105  AND NAME HG2  )   (RESI 21  AND NAME HB1  )  4.90   4.90    1.0
ASSI (RESI  105  AND NAME HG2  )   (RESI 21  AND NAME HB2  )  4.05   4.05    1.0
ASSI (RESI  105  AND NAME HG2  )   (RESI 21  AND NAME HN   )  4.77   4.77    1.0
ASSI (RESI  105  AND NAME HG2  )   (RESI 22  AND NAME HN   )  4.74   4.74    1.0
ASSI (RESI  106  AND NAME HA   )   (RESI 19  AND NAME HG1  )  4.31   4.31    1.0
ASSI (RESI  106  AND NAME HA   )   (RESI 19  AND NAME HG2# )  5.40   5.40    1.0
ASSI (RESI  106  AND NAME HA   )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  4.89   4.89    1.0
ASSI (RESI  106  AND NAME HA   )   (RESI 20  AND NAME HN   )  4.82   4.82    1.0
ASSI (RESI  106  AND NAME HB1  )   (RESI 19  AND NAME HG1  )  4.45   4.45    1.0
ASSI (RESI  106  AND NAME HB1  )   (RESI 19  AND NAME HG2# )  6.33   6.33    1.0
ASSI (RESI  106  AND NAME HB1  )   (RESI 20  AND NAME HB1  )  5.60   5.60    1.0
ASSI (RESI  106  AND NAME HB1  )   (RESI 20  AND NAME HB2  )  5.88   5.88    1.0
ASSI (RESI  106  AND NAME HB1  )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  4.67   4.67    1.0
ASSI (RESI  106  AND NAME HB1  )   (RESI 20  AND NAME HN   )  4.69   4.69    1.0
ASSI (RESI  106  AND NAME HB2  )   (RESI 19  AND NAME HG1  )  4.48   4.48    1.0
ASSI (RESI  106  AND NAME HB2  )   (RESI 19  AND NAME HG2# )  5.34   5.34    1.0
ASSI (RESI  106  AND NAME HB2  )   (RESI 20  AND NAME HB1  )  5.35   5.35    1.0
ASSI (RESI  106  AND NAME HB2  )   (RESI 20  AND NAME HB2  )  5.85   5.85    1.0
ASSI (RESI  106  AND NAME HB2  )   ((RESI 20  AND NAME HD1# ) or (RESI 20  AND NAME HD2# ))  4.32   4.32    1.0
ASSI (RESI  106  AND NAME HB2  )   (RESI 20  AND NAME HN   )  4.78   4.78    1.0
ASSI (RESI  107  AND NAME HA   )   (RESI 14  AND NAME HD#  )  3.90   3.90    1.0
ASSI (RESI  107  AND NAME HA   )   (RESI 14  AND NAME HE#  )  4.54   4.54    1.0
ASSI (RESI  107  AND NAME HA   )   (RESI 15  AND NAME HN   )  4.06   4.06    1.0
ASSI (RESI  107  AND NAME HA   )   (RESI 19  AND NAME HG1  )  4.76   4.76    1.0
ASSI (RESI  107  AND NAME HA   )   (RESI 19  AND NAME HG2# )  4.30   4.30    1.0
ASSI (RESI  107  AND NAME HB1  )   (RESI 14  AND NAME HD#  )  3.63   3.63    1.0
ASSI (RESI  107  AND NAME HB1  )   (RESI 14  AND NAME HE#  )  4.02   4.02    1.0
ASSI (RESI  107  AND NAME HB2  )   (RESI 14  AND NAME HD#  )  3.97   3.97    1.0
ASSI (RESI  107  AND NAME HB2  )   (RESI 14  AND NAME HE#  )  4.37   4.37    1.0
ASSI (RESI  107  AND NAME HB2  )   (RESI 15  AND NAME HN   )  6.40   6.40    1.0
ASSI (RESI  108  AND NAME HA   )   (RESI 13  AND NAME HD2  )  4.57   4.57    1.0
ASSI (RESI  108  AND NAME HA   )   (RESI 13  AND NAME HN   )  4.35   4.35    1.0
ASSI (RESI  108  AND NAME HA   )   (RESI 14  AND NAME HB2  )  4.82   4.82    1.0
ASSI (RESI  108  AND NAME HA   )   (RESI 14  AND NAME HD#  )  3.45   3.45    1.0
ASSI (RESI  108  AND NAME HA   )   (RESI 14  AND NAME HE#  )  4.19   4.19    1.0
ASSI (RESI  108  AND NAME HA   )   (RESI 14  AND NAME H    )  4.59   4.59    1.0
ASSI (RESI  108  AND NAME HA   )   (RESI 15  AND NAME HB1  )  5.30   5.30    1.0
ASSI (RESI  108  AND NAME HA   )   (RESI 15  AND NAME HB2  )  5.56   5.56    1.0
ASSI (RESI  108  AND NAME HA   )   (RESI 15  AND NAME HN   )  3.03   3.03    1.0
ASSI (RESI  108  AND NAME HB#  )   (RESI 14  AND NAME HD#  )  3.81   3.81    1.0
ASSI (RESI  108  AND NAME HB#  )   (RESI 14  AND NAME HE#  )  3.69   3.69    1.0
ASSI (RESI  108  AND NAME HB#  )   (RESI 14  AND NAME H    )  5.49   5.49    1.0
ASSI (RESI  108  AND NAME HB#  )   (RESI 15  AND NAME HN   )  4.42   4.42    1.0
ASSI (RESI  108  AND NAME HE#  )   (RESI 12  AND NAME HN   )  3.71   3.71    1.0
ASSI (RESI  108  AND NAME HE#  )   (RESI 14  AND NAME HD#  )  3.11   3.11    1.0
ASSI (RESI  108  AND NAME HE#  )   (RESI 14  AND NAME HE#  )  3.02   3.02    1.0
ASSI (RESI  108  AND NAME HE#  )   (RESI 14  AND NAME H    )  3.99   3.99    1.0
ASSI (RESI  109  AND NAME HA   )   (RESI 13  AND NAME HE1  )  5.71   5.71    1.0
ASSI (RESI  109  AND NAME HA   )   (RESI 13  AND NAME HN   )  4.64   4.64    1.0
ASSI (RESI  109  AND NAME HB   )   (RESI 13  AND NAME HD2  )  4.13   4.13    1.0
ASSI (RESI  109  AND NAME HB   )   (RESI 13  AND NAME HE1  )  3.65   3.65    1.0
ASSI (RESI  109  AND NAME HB   )   (RESI 13  AND NAME HN   )  4.34   4.34    1.0
ASSI (RESI  109  AND NAME HB   )   (RESI 15  AND NAME HB1  )  4.36   4.36    1.0
ASSI (RESI  109  AND NAME HB   )   (RESI 15  AND NAME HB2  )  4.96   4.96    1.0
ASSI (RESI  109  AND NAME HB   )   (RESI 15  AND NAME HN   )  5.54   5.54    1.0
ASSI (RESI  109  AND NAME HG1# )   (RESI 13  AND NAME HD2  )  3.58   3.58    1.0
ASSI (RESI  109  AND NAME HG1# )   (RESI 13  AND NAME HE1  )  3.38   3.38    1.0
ASSI (RESI  109  AND NAME HG1# )   (RESI 13  AND NAME HN   )  3.96   3.96    1.0
ASSI (RESI  109  AND NAME HG1# )   (RESI 15  AND NAME HB1  )  3.25   3.25    1.0
ASSI (RESI  109  AND NAME HG1# )   (RESI 15  AND NAME HN   )  4.23   4.23    1.0
ASSI (RESI  109  AND NAME HG1# )   (RESI 16  AND NAME HN   )  5.98   5.98    1.0
ASSI (RESI  109  AND NAME HG1# )   (RESI 17  AND NAME HN   )  5.77   5.77    1.0
ASSI (RESI  109  AND NAME HG1# )   (RESI 18  AND NAME HB2  )  4.86   4.86    1.0
ASSI (RESI  109  AND NAME HG1# )   (RESI 18  AND NAME HN   )  4.74   4.74    1.0
ASSI (RESI  109  AND NAME HG1# )   (RESI 19  AND NAME HG1  )  4.59   4.59    1.0
ASSI (RESI  109  AND NAME HG1# )   (RESI 19  AND NAME HG2# )  4.42   4.42    1.0
ASSI (RESI  109  AND NAME HG1# )   (RESI 20  AND NAME HN   )  4.98   4.98    1.0
ASSI (RESI  109  AND NAME HG2# )   (RESI 13  AND NAME HB2  )  5.01   5.01    1.0
ASSI (RESI  109  AND NAME HG2# )   (RESI 13  AND NAME HD2  )  2.81   2.81    1.0
ASSI (RESI  109  AND NAME HG2# )   (RESI 13  AND NAME HE1  )  2.35   2.35    1.0
ASSI (RESI  109  AND NAME HG2# )   (RESI 13  AND NAME HN   )  3.13   3.13    1.0
ASSI (RESI  109  AND NAME HG2# )   (RESI 14  AND NAME HD#  )  4.99   4.99    1.0
ASSI (RESI  109  AND NAME HG2# )   (RESI 14  AND NAME H    )  5.08   5.08    1.0
ASSI (RESI  109  AND NAME HG2# )   (RESI 15  AND NAME HB1  )  2.86   2.86    1.0
ASSI (RESI  109  AND NAME HG2# )   (RESI 15  AND NAME HB2  )  3.95   3.95    1.0
ASSI (RESI  109  AND NAME HG2# )   (RESI 15  AND NAME HB2  )  3.26   3.26    1.0
ASSI (RESI  109  AND NAME HG2# )   (RESI 15  AND NAME HN   )  3.76   3.76    1.0
ASSI (RESI  109  AND NAME HG2# )   (RESI 16  AND NAME HN   )  4.74   4.74    1.0
ASSI (RESI  109  AND NAME HG2# )   (RESI 17  AND NAME HN   )  5.15   5.15    1.0
ASSI (RESI  109  AND NAME HG2# )   (RESI 18  AND NAME HB2  )  4.20   4.20    1.0
ASSI (RESI  109  AND NAME HG2# )   (RESI 18  AND NAME HN   )  4.15   4.15    1.0
ASSI (RESI  109  AND NAME HG2# )   (RESI 19  AND NAME HG1  )  5.41   5.41    1.0
ASSI (RESI  109  AND NAME HG2# )   (RESI 19  AND NAME HG2# )  5.00   5.00    1.0
ASSI (RESI  109  AND NAME HG2# )   (RESI 19  AND NAME HN   )  5.19   5.19    1.0
ASSI (RESI  110  AND NAME HA   )   (RESI 12  AND NAME HA2  )  5.02   5.02    1.0
ASSI (RESI  110  AND NAME HA   )   (RESI 12  AND NAME HN   )  4.04   4.04    1.0
ASSI (RESI  110  AND NAME HA   )   (RESI 13  AND NAME HE1  )  5.39   5.39    1.0
ASSI (RESI  110  AND NAME HA   )   (RESI 13  AND NAME HN   )  3.82   3.82    1.0
ASSI (RESI  110  AND NAME HB   )   (RESI 12  AND NAME HN   )  5.35   5.35    1.0
ASSI (RESI  110  AND NAME HB   )   (RESI 13  AND NAME HN   )  5.74   5.74    1.0
ASSI (RESI  110  AND NAME HD1# )   (RESI 11  AND NAME HB2  )  4.69   4.69    1.0
ASSI (RESI  110  AND NAME HD1# )   (RESI 11  AND NAME HD#  )  3.58   3.58    1.0
ASSI (RESI  110  AND NAME HD1# )   (RESI 11  AND NAME HE#  )  4.09   4.09    1.0
ASSI (RESI  110  AND NAME HD1# )   (RESI 11  AND NAME H    )  5.15   5.15    1.0
ASSI (RESI  110  AND NAME HD1# )   (RESI 12  AND NAME HA1  )  5.35   5.35    1.0
ASSI (RESI  110  AND NAME HD1# )   (RESI 12  AND NAME HA2  )  4.93   4.93    1.0
ASSI (RESI  110  AND NAME HD1# )   (RESI 12  AND NAME HN   )  3.77   3.77    1.0
ASSI (RESI  110  AND NAME HD1# )   (RESI 13  AND NAME HN   )  3.77   3.77    1.0
ASSI (RESI  110  AND NAME HD1# )   (RESI 14  AND NAME HD#  )  4.78   4.78    1.0
ASSI (RESI  110  AND NAME HD1# )   (RESI 14  AND NAME HE#  )  4.85   4.85    1.0
ASSI (RESI  110  AND NAME HG11 )   (RESI 12  AND NAME HN   )  5.06   5.06    1.0
ASSI (RESI  110  AND NAME HG11 )   (RESI 13  AND NAME HN   )  4.59   4.59    1.0
ASSI (RESI  110  AND NAME HG12 )   (RESI 12  AND NAME HN   )  4.87   4.87    1.0
ASSI (RESI  110  AND NAME HG12 )   (RESI 13  AND NAME HN   )  4.49   4.49    1.0
ASSI (RESI  110  AND NAME HG2# )   (RESI 10  AND NAME HB2  )  4.36   4.36    1.0
ASSI (RESI  110  AND NAME HG2# )   (RESI 10  AND NAME HN   )  4.52   4.52    1.0
ASSI (RESI  110  AND NAME HG2# )   (RESI 11  AND NAME HB2  )  4.13   4.13    1.0
ASSI (RESI  110  AND NAME HG2# )   (RESI 11  AND NAME HD#  )  3.75   3.75    1.0
ASSI (RESI  110  AND NAME HG2# )   (RESI 11  AND NAME HE#  )  3.84   3.84    1.0
ASSI (RESI  110  AND NAME HG2# )   (RESI 11  AND NAME H    )  4.48   4.48    1.0
ASSI (RESI  110  AND NAME HG2# )   (RESI 12  AND NAME HA1  )  5.73   5.73    1.0
ASSI (RESI  110  AND NAME HG2# )   (RESI 12  AND NAME HA2  )  5.00   5.00    1.0
ASSI (RESI  110  AND NAME HG2# )   (RESI 12  AND NAME HN   )  3.67   3.67    1.0
ASSI (RESI  110  AND NAME HG2# )   (RESI 13  AND NAME HN   )  3.87   3.87    1.0
ASSI (RESI  111  AND NAME HB1  )   (RESI 10  AND NAME HB2  )  5.78   5.78    1.0
ASSI (RESI  111  AND NAME HB1  )   (RESI 13  AND NAME HE1  )  5.11   5.11    1.0
ASSI (RESI  111  AND NAME HB2  )   (RESI 10  AND NAME HB2  )  5.30   5.30    1.0
ASSI (RESI  111  AND NAME HB2  )   (RESI 13  AND NAME HE1  )  4.87   4.87    1.0
!
! 4.
! CHIPS-C5aR(P7-28S) complex, intermolecular distance restraints 
! From 3D-13C-edited-13C-filtered 3D NOESY-HSQC aromatic (900 MHz, expno30_nr2, 200 ms mixing time).
! Quantitiative intensities translated to upper limit distance of 5.0 plus 1.0 Angstrom.
! Note that HD## Leu20 is equivalent to (HD1# or HD2#) Leu20.
! 
!ASSI (RESI  48   AND NAME HE#  )     (RESI 9    AND NAME HB1  )  5.0    5.0     1.0 ! excluded
!ASSI (RESI  48   AND NAME HE#  )     ((RESI 9    AND NAME HG#  ) or (RESI 9    AND NAME HB2  ))  5.0    5.0     1.0 ! excluded
ASSI (RESI  48   AND NAME HE#  )     (RESI 10   AND NAME HN   )  5.0    5.0     1.0
ASSI (RESI  48   AND NAME HD#  )     (RESI 11   AND NAME H    )  5.0    5.0     1.0
ASSI (RESI  48   AND NAME HE#  )     (RESI 11   AND NAME H    )  5.0    5.0     1.0
ASSI (RESI  48   AND NAME HD#  )     (RESI 11   AND NAME HB1  )  5.0    5.0     1.0
ASSI (RESI  48   AND NAME HE#  )     (RESI 11   AND NAME HB1  )  5.0    5.0     1.0
ASSI (RESI  48   AND NAME HD#  )     (RESI 11   AND NAME HD#  )  5.0    5.0     1.0
ASSI (RESI  48   AND NAME HE#  )     (RESI 11   AND NAME HD#  )  5.0    5.0     1.0
ASSI (RESI  48   AND NAME HE#  )     (RESI 11   AND NAME HE#  )  5.0    5.0     1.0
ASSI (RESI  48   AND NAME HD#  )     (RESI 11   AND NAME HE#  )  5.0    5.0     1.0
ASSI (RESI  108  AND NAME HE#  )     (RESI 12   AND NAME HN   )  5.0    5.0     1.0
ASSI (RESI  108  AND NAME HE#  )     (RESI 12   AND NAME HA1  )  5.0    5.0     1.0
ASSI (RESI  108  AND NAME HE#  )     (RESI 13   AND NAME HN   )  5.0    5.0     1.0
!ASSI (RESI  97   AND NAME HE#  )     (RESI 13   AND NAME HD2  )  5.0    5.0     1.0 ! excluded
ASSI (RESI  108  AND NAME HE#  )     (RESI 14   AND NAME H    )  5.0    5.0     1.0
ASSI (RESI  108  AND NAME HE#  )     (RESI 14   AND NAME HB2  )  5.0    5.0     1.0
ASSI (RESI  59   AND NAME HD#  )     (RESI 14   AND NAME HD#  )  5.0    5.0     1.0
ASSI (RESI  59   AND NAME HE#  )     (RESI 14   AND NAME HD#  )  5.0    5.0     1.0
ASSI (RESI  59   AND NAME HZ   )     (RESI 14   AND NAME HD#  )  5.0    5.0     1.0
ASSI (RESI  108  AND NAME HE#  )     (RESI 14   AND NAME HD#  )  5.0    5.0     1.0
ASSI (RESI  59   AND NAME HE#  )     (RESI 14   AND NAME HE#  )  5.0    5.0     1.0
ASSI (RESI  59   AND NAME HZ   )     (RESI 14   AND NAME HE#  )  5.0    5.0     1.0
ASSI (RESI  108  AND NAME HE#  )     (RESI 14   AND NAME HE#  )  5.0    5.0     1.0
ASSI (RESI  97   AND NAME HE#  )     (RESI 18   AND NAME HN   )  5.0    5.0     1.0
ASSI (RESI  97   AND NAME HE#  )     (RESI 18   AND NAME HB1  )  5.0    5.0     1.0
ASSI (RESI  97   AND NAME HD#  )     (RESI 19   AND NAME HB   )  5.0    5.0     1.0
ASSI (RESI  97   AND NAME HD#  )     (RESI 19   AND NAME HG1  )  5.0    5.0     1.0
ASSI (RESI  97   AND NAME HE#  )     (RESI 19   AND NAME HG1  )  5.0    5.0     1.0
ASSI (RESI  97   AND NAME HD#  )     (RESI 19   AND NAME HG2# )  5.0    5.0     1.0
ASSI (RESI  97   AND NAME HE#  )     (RESI 19   AND NAME HG2# )  5.0    5.0     1.0
ASSI (RESI  97   AND NAME HD#  )     (RESI 20   AND NAME HN   )  5.0    5.0     1.0
ASSI (RESI  97   AND NAME HE#  )     (RESI 20   AND NAME HN   )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HZ   )     (RESI 20   AND NAME HN   )  5.0    5.0     1.0
ASSI (RESI  97   AND NAME HD#  )     (RESI 20   AND NAME HA   )  5.0    5.0     1.0
ASSI (RESI  97   AND NAME HE#  )     (RESI 20   AND NAME HA   )  5.0    5.0     1.0
ASSI (RESI  71   AND NAME HD#  )     (RESI 20   AND NAME HB2  )  5.0    5.0     1.0
ASSI (RESI  71   AND NAME HE#  )     (RESI 20   AND NAME HB2  )  5.0    5.0     1.0
ASSI (RESI  97   AND NAME HD#  )     (RESI 20   AND NAME HB2  )  5.0    5.0     1.0
ASSI (RESI  97   AND NAME HE#  )     (RESI 20   AND NAME HB2  )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HE#  )     (RESI 20   AND NAME HB2  )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HZ   )     (RESI 20   AND NAME HB2  )  5.0    5.0     1.0
ASSI (RESI  97   AND NAME HD#  )     (RESI 20   AND NAME HB1  )  5.0    5.0     1.0
ASSI (RESI  97   AND NAME HE#  )     (RESI 20   AND NAME HB1  )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HE#  )     (RESI 20   AND NAME HB1  )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HZ   )     (RESI 20   AND NAME HB1  )  5.0    5.0     1.0
ASSI (RESI  71   AND NAME HD#  )     (RESI 20   AND NAME HD## )  5.0    5.0     1.0
ASSI (RESI  71   AND NAME HE#  )     (RESI 20   AND NAME HD## )  5.0    5.0     1.0
ASSI (RESI  97   AND NAME HD#  )     (RESI 20   AND NAME HD## )  5.0    5.0     1.0
ASSI (RESI  97   AND NAME HE#  )     (RESI 20   AND NAME HD## )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HD#  )     (RESI 20   AND NAME HD## )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HE#  )     (RESI 20   AND NAME HD## )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HZ   )     (RESI 20   AND NAME HD## )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HD#  )     (RESI 20   AND NAME HG   )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HE#  )     (RESI 20   AND NAME HG   )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HZ   )     (RESI 20   AND NAME HG   )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HD#  )     (RESI 22   AND NAME HN   )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HE#  )     (RESI 22   AND NAME HN   )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HZ   )     (RESI 22   AND NAME HN   )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HE#  )     (RESI 22   AND NAME HB2  )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HZ   )     (RESI 22   AND NAME HB2  )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HD#  )     (RESI 22   AND NAME HB1  )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HE#  )     (RESI 22   AND NAME HB1  )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HZ   )     (RESI 22   AND NAME HB1  )  5.0    5.0     1.0
ASSI (RESI  71   AND NAME HD#  )     (RESI 22   AND NAME HD1# )  5.0    5.0     1.0
ASSI (RESI  71   AND NAME HE#  )     (RESI 22   AND NAME HD1# )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HD#  )     (RESI 22   AND NAME HD1# )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HE#  )     (RESI 22   AND NAME HD1# )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HZ   )     (RESI 22   AND NAME HD1# )  5.0    5.0     1.0
ASSI (RESI  71   AND NAME HE#  )     (RESI 22   AND NAME HD2# )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HD#  )     (RESI 22   AND NAME HD2# )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HE#  )     (RESI 22   AND NAME HD2# )  5.0    5.0     1.0
ASSI (RESI  99   AND NAME HZ   )     (RESI 22   AND NAME HD2# )  5.0    5.0     1.0
!
! 5.
! CHIPS-C5aR(P7-28S) complex intermolecular distance restraints. 
! 13C-filtered 2D NOESY (900 MHz, expno8, 200 ms mixing time).
! Spin diffusion quite pronounced, R^3 distance scaling of intensities. 
! Yardstick distance HG2# Thr53 to HE# sTyr14 = 2.38 Angstrom.
! Due to a higher accuracy of peak intensities, combined with high sensitivity, the
! upper boundary limit is hard set, with the third column ste to zero Angstrom. 
!
ASSI (RESI  48   AND NAME HE# )     (RESI 8   AND NAME HG2# )  6.27      6.27       0.0
ASSI (RESI  48   AND NAME HE# )     (RESI 9   AND NAME HB1  )  6.28      6.28       0.0
ASSI (RESI  48   AND NAME HE# )     (RESI 9   AND NAME HG#  )  5.80      5.80       0.0
ASSI (RESI  110  AND NAME HG2#)     (RESI 10  AND NAME HB1  )  5.53      5.53       0.0
ASSI (RESI  111  AND NAME HN  )     (RESI 10  AND NAME HB1  )  7.00      7.00       0.0
ASSI (RESI  110  AND NAME HG2#)     (RESI 10  AND NAME HB2  )  7.16      7.16       0.0
ASSI (RESI  111  AND NAME HN  )     (RESI 10  AND NAME HB2  )  7.09      7.09       0.0
ASSI (RESI  48   AND NAME HD# )     (RESI 11  AND NAME HB1  )  7.03      7.03       0.0
!ASSI (RESI  49   AND NAME HN  )     (RESI 11  AND NAME HB1  )  4.87      4.87       0.0 ! Spin diffusion
ASSI (RESI  51   AND NAME HB2 )     (RESI 11  AND NAME HB1  )  6.96      6.96       0.0
ASSI (RESI  51   AND NAME HD2 )     (RESI 11  AND NAME HB1  )  6.77      6.77       0.0
ASSI (RESI  52   AND NAME HA1 )     (RESI 11  AND NAME HB1  )  6.58      6.58       0.0
ASSI (RESI  52   AND NAME HA2 )     (RESI 11  AND NAME HB1  )  4.70      4.70       0.0
ASSI (RESI  110  AND NAME HD1#)     (RESI 11  AND NAME HB1  )  5.80      5.80       0.0
ASSI (RESI  48   AND NAME HB2 )     (RESI 11  AND NAME HB2  )  6.40      6.40       0.0
ASSI (RESI  48   AND NAME HD# )     (RESI 11  AND NAME HB2  )  6.64      6.64       0.0
ASSI (RESI  48   AND NAME HE# )     (RESI 11  AND NAME HB2  )  7.06      7.06       0.0
!ASSI (RESI  49   AND NAME HN  )     (RESI 11  AND NAME HB2  )  4.21      4.21       0.0 ! Spin diffusion
ASSI (RESI  51   AND NAME HB2 )     (RESI 11  AND NAME HB2  )  6.49      6.49       0.0
ASSI (RESI  51   AND NAME HD2 )     (RESI 11  AND NAME HB2  )  6.08      6.08       0.0
ASSI (RESI  52   AND NAME HA1 )     (RESI 11  AND NAME HB2  )  5.52      5.52       0.0
ASSI (RESI  52   AND NAME HA2 )     (RESI 11  AND NAME HB2  )  4.25      4.25       0.0
ASSI (RESI  110  AND NAME HD1#)     (RESI 11  AND NAME HB2  )  6.56      6.56       0.0
ASSI (RESI  45   AND NAME HA  )     (RESI 11  AND NAME HD#  )  6.11      6.11       0.0
!ASSI ((RESI  45   AND NAME HD2#) or (RESI  41   AND NAME HD2#))     (RESI 11  AND NAME HD#  )  5.52      5.52       0.0 ! Spin diffusion
!ASSI (RESI  47   AND NAME HN  )     (RESI 11  AND NAME HD#  )  4.82      4.82       0.0 ! Spin diffusion
ASSI (RESI  48   AND NAME HA  )     (RESI 11  AND NAME HD#  )  2.99      2.99       0.0
ASSI (RESI  48   AND NAME HB1 )     (RESI 11  AND NAME HD#  )  4.08      4.08       0.0
ASSI (RESI  48   AND NAME HB2 )     (RESI 11  AND NAME HD#  )  3.92      3.92       0.0
ASSI (RESI  48   AND NAME HD# )     (RESI 11  AND NAME HD#  )  3.19      3.19       0.0
ASSI (RESI  48   AND NAME HN  )     (RESI 11  AND NAME HD#  )  5.00      5.00       0.0
!ASSI (RESI  49   AND NAME HN  )     (RESI 11  AND NAME HD#  )  3.77      3.77       0.0 ! Spin diffusion
ASSI (RESI  50   AND NAME HE# )     (RESI 11  AND NAME HD#  )  7.63      7.63       0.0
ASSI (RESI  51   AND NAME HA  )     (RESI 11  AND NAME HD#  )  5.21      5.21       0.0
ASSI (RESI  51   AND NAME HB2 )     (RESI 11  AND NAME HD#  )  3.96      3.96       0.0
ASSI (RESI  51   AND NAME HD2 )     (RESI 11  AND NAME HD#  )  3.36      3.36       0.0
ASSI (RESI  51   AND NAME HE# )     (RESI 11  AND NAME HD#  )  4.56      4.56       0.0
ASSI (RESI  51   AND NAME HG1 )     (RESI 11  AND NAME HD#  )  4.47      4.47       0.0
ASSI (RESI  51   AND NAME HG2 )     (RESI 11  AND NAME HD#  )  4.92      4.92       0.0
ASSI (RESI  52   AND NAME HA1 )     (RESI 11  AND NAME HD#  )  5.05      5.05       0.0
ASSI (RESI  53   AND NAME HG2#)     (RESI 11  AND NAME HD#  )  7.28      7.28       0.0
!ASSI (RESI  108  AND NAME HN  )     (RESI 11  AND NAME HD#  )  7.51      7.51       0.0 ! Spin diffusion
ASSI (RESI  110  AND NAME HD1#)     (RESI 11  AND NAME HD#  )  4.43      4.43       0.0
ASSI (RESI  110  AND NAME HG2#)     (RESI 11  AND NAME HD#  )  5.35      5.35       0.0
!ASSI ((RESI  45   AND NAME HD2#) or (RESI  41   AND NAME HD2#))    (RESI 11  AND NAME HE#  )  4.38      4.38       0.0 ! Spin diffusion
ASSI (RESI  47   AND NAME HN  )     (RESI 11  AND NAME HE#  )  5.28      5.28       0.0 
ASSI (RESI  48   AND NAME HA  )     (RESI 11  AND NAME HE#  )  3.69      3.69       0.0
ASSI (RESI  48   AND NAME HB1 )     (RESI 11  AND NAME HE#  )  5.53      5.53       0.0
ASSI (RESI  48   AND NAME HB2 )     (RESI 11  AND NAME HE#  )  5.21      5.21       0.0
ASSI (RESI  48   AND NAME HD# )     (RESI 11  AND NAME HE#  )  2.95      2.95       0.0
ASSI (RESI  48   AND NAME HN  )     (RESI 11  AND NAME HE#  )  6.02      6.02       0.0
!ASSI (RESI  49   AND NAME HN  )     (RESI 11  AND NAME HE#  )  5.01      5.01       0.0 ! Spin diffusion
ASSI (RESI  50   AND NAME HE# )     (RESI 11  AND NAME HE#  )  6.03      6.03       0.0
ASSI (RESI  51   AND NAME HA  )     (RESI 11  AND NAME HE#  )  5.71      5.71       0.0
ASSI (RESI  51   AND NAME HB2 )     (RESI 11  AND NAME HE#  )  3.90      3.90       0.0
ASSI (RESI  51   AND NAME HD2 )     (RESI 11  AND NAME HE#  )  3.06      3.06       0.0
ASSI (RESI  51   AND NAME HE# )     (RESI 11  AND NAME HE#  )  3.68      3.68       0.0
ASSI (RESI  51   AND NAME HG1 )     (RESI 11  AND NAME HE#  )  4.02      4.02       0.0
ASSI (RESI  51   AND NAME HG2 )     (RESI 11  AND NAME HE#  )  4.32      4.32       0.0
ASSI (RESI  52   AND NAME HA1 )     (RESI 11  AND NAME HE#  )  6.05      6.05       0.0
ASSI (RESI  110  AND NAME HD1#)     (RESI 11  AND NAME HE#  )  4.66      4.66       0.0
ASSI (RESI  110  AND NAME HG2#)     (RESI 11  AND NAME HE#  )  5.14      5.14       0.0
ASSI (RESI  52   AND NAME HA1 )     (RESI 11  AND NAME H    )  8.00      8.00       0.0
ASSI (RESI  110  AND NAME HD1#)     (RESI 11  AND NAME H    )  7.45      7.45       0.0
ASSI (RESI  110  AND NAME HG2#)     (RESI 11  AND NAME H    )  6.73      6.73       0.0
ASSI (RESI  108  AND NAME HE# )     (RESI 12  AND NAME HA1  )  7.45      7.45       0.0
ASSI (RESI  108  AND NAME HE# )     (RESI 12  AND NAME HA2  )  7.20      7.20       0.0
ASSI (RESI  48   AND NAME HB1 )     (RESI 12  AND NAME HN   )  6.84      6.84       0.0
ASSI (RESI  48   AND NAME HB2 )     (RESI 12  AND NAME HN   )  7.60      7.60       0.0
ASSI (RESI  48   AND NAME HD# )     (RESI 12  AND NAME HN   )  6.66      6.66       0.0
ASSI (RESI  48   AND NAME HE# )     (RESI 12  AND NAME HN   )  7.10      7.10       0.0
ASSI (RESI  49   AND NAME HD2#)     (RESI 12  AND NAME HN   )  6.85      6.85       0.0
ASSI (RESI  52   AND NAME HA1 )     (RESI 12  AND NAME HN   )  6.51      6.51       0.0
ASSI (RESI  108  AND NAME HE# )     (RESI 12  AND NAME HN   )  4.15      4.15       0.0
ASSI (RESI  110  AND NAME HA  )     (RESI 12  AND NAME HN   )  4.96      4.96       0.0
ASSI (RESI  110  AND NAME HB  )     (RESI 12  AND NAME HN   )  6.60      6.60       0.0
ASSI (RESI  110  AND NAME HD1#)     (RESI 12  AND NAME HN   )  4.79      4.79       0.0
ASSI (RESI  110  AND NAME HG11)     (RESI 12  AND NAME HN   )  5.74      5.74       0.0
ASSI (RESI  110  AND NAME HG12)     (RESI 12  AND NAME HN   )  5.28      5.28       0.0
ASSI (RESI  110  AND NAME HG2#)     (RESI 12  AND NAME HN   )  5.01      5.01       0.0
ASSI (RESI  111  AND NAME HN  )     (RESI 12  AND NAME HN   )  6.20      6.20       0.0
ASSI (RESI  108  AND NAME HE# )     (RESI 13  AND NAME HB1  )  5.81      5.81       0.0
ASSI (RESI  108  AND NAME HE# )     (RESI 13  AND NAME HB2  )  7.69      7.69       0.0
ASSI ((RESI  109  AND NAME HG1#) or (RESI  109  AND NAME HG2#))     (RESI 13  AND NAME HD2  )  2.93      2.93       0.0
ASSI ((RESI  109  AND NAME HG1#) or (RESI  109  AND NAME HG2#))     (RESI 13  AND NAME HE1  )  2.48      2.48       0.0
ASSI (RESI  110  AND NAME HB  )     (RESI 13  AND NAME HE1  )  5.15      5.15       0.0
ASSI (RESI  110  AND NAME HG2#)     (RESI 13  AND NAME HE1  )  7.08      7.08       0.0
ASSI (RESI  111  AND NAME HD21)     (RESI 13  AND NAME HE1  )  3.74      3.74       0.0
ASSI (RESI  111  AND NAME HD22)     (RESI 13  AND NAME HE1  )  3.64      3.64       0.0
ASSI (RESI  49   AND NAME HD2#)     (RESI 13  AND NAME HN   )  8.59      8.59       0.0
ASSI (RESI  53   AND NAME HG2#)     (RESI 13  AND NAME HN   )  6.82      6.82       0.0
ASSI (RESI  108  AND NAME HE# )     (RESI 13  AND NAME HN   )  4.33      4.33       0.0
ASSI (RESI  109  AND NAME HA  )     (RESI 13  AND NAME HN   )  6.51      6.51       0.0
ASSI (RESI  109  AND NAME HB  )     (RESI 13  AND NAME HN   )  5.46      5.46       0.0
ASSI ((RESI  109  AND NAME HG1#) or (RESI  109  AND NAME HG2#))     (RESI 13  AND NAME HN   )  3.54      3.54       0.0
ASSI (RESI  109  AND NAME HN  )     (RESI 13  AND NAME HN   )  3.47      3.47       0.0
ASSI (RESI  110  AND NAME HA  )     (RESI 13  AND NAME HN   )  4.54      4.54       0.0
ASSI (RESI  110  AND NAME HD1#)     (RESI 13  AND NAME HN   )  4.93      4.93       0.0
ASSI (RESI  110  AND NAME HG11)     (RESI 13  AND NAME HN   )  5.59      5.59       0.0
ASSI (RESI  110  AND NAME HG2#)     (RESI 13  AND NAME HN   )  5.54      5.54       0.0
ASSI (RESI  110  AND NAME HN  )     (RESI 13  AND NAME HN   )  6.50      6.50       0.0
ASSI (RESI  111  AND NAME HN  )     (RESI 13  AND NAME HN   )  5.72      5.72       0.0
ASSI (RESI  108  AND NAME HA  )     (RESI 14  AND NAME HB1  )  5.92      5.92       0.0
ASSI (RESI  108  AND NAME HE# )     (RESI 14  AND NAME HB1  )  6.17      6.17       0.0
ASSI (RESI  108  AND NAME HA  )     (RESI 14  AND NAME HB2  )  6.75      6.75       0.0
ASSI (RESI  108  AND NAME HE# )     (RESI 14  AND NAME HB2  )  7.03      7.03       0.0
ASSI (RESI  49   AND NAME HD2#)     (RESI 14  AND NAME HD#  )  6.56      6.56       0.0
ASSI (RESI  53   AND NAME HB  )     (RESI 14  AND NAME HD#  )  5.95      5.95       0.0
ASSI (RESI  53   AND NAME HG2#)     (RESI 14  AND NAME HD#  )  3.92      3.92       0.0
ASSI (RESI  53   AND NAME HN  )     (RESI 14  AND NAME HD#  )  6.0       6.0        0.0 ! overlap 5.61 --> 6.0
ASSI (RESI  54   AND NAME HD# )     (RESI 14  AND NAME HD#  )  7.05      7.05       0.0
ASSI (RESI  54   AND NAME HG2 )     (RESI 14  AND NAME HD#  )  7.60      7.60       0.0
ASSI (RESI  54   AND NAME HN  )     (RESI 14  AND NAME HD#  )  5.86      5.86       0.0
ASSI (RESI  58   AND NAME HE21)     (RESI 14  AND NAME HD#  )  5.67      5.67       0.0 ! overlap
ASSI (RESI  58   AND NAME HE22)     (RESI 14  AND NAME HD#  )  6.77      6.77       0.0 ! overlap
ASSI (RESI  58   AND NAME HG1 )     (RESI 14  AND NAME HD#  )  7.22      7.22       0.0
ASSI (RESI  58   AND NAME HG2 )     (RESI 14  AND NAME HD#  )  7.22      7.22       0.0
ASSI (RESI  59   AND NAME HE# )     (RESI 14  AND NAME HD#  )  5.10      5.10       0.0
ASSI (RESI  59   AND NAME HZ  )     (RESI 14  AND NAME HD#  )  3.81      3.81       0.0
ASSI (RESI  100  AND NAME HD1 )     (RESI 14  AND NAME HD#  )  8.08      8.08       0.0
ASSI (RESI  100  AND NAME HD2 )     (RESI 14  AND NAME HD#  )  6.18      6.18       0.0
ASSI (RESI  100  AND NAME HE1 )     (RESI 14  AND NAME HD#  )  4.83      4.83       0.0
ASSI (RESI  100  AND NAME HE2 )     (RESI 14  AND NAME HD#  )  5.59      5.59       0.0
ASSI (RESI  107  AND NAME HA  )     (RESI 14  AND NAME HD#  )  5.30      5.30       0.0
ASSI (RESI  107  AND NAME HB1 )     (RESI 14  AND NAME HD#  )  4.07      4.07       0.0
ASSI (RESI  108  AND NAME HB# )     (RESI 14  AND NAME HD#  )  4.77      4.77       0.0
ASSI (RESI  108  AND NAME HD# )     (RESI 14  AND NAME HD#  )  6.15      6.15       0.0
ASSI (RESI  108  AND NAME HE# )     (RESI 14  AND NAME HD#  )  3.49      3.49       0.0
ASSI ((RESI  109  AND NAME HG1#) or (RESI  109  AND NAME HG2#))     (RESI 14  AND NAME HD#  )  5.81      5.81       0.0
ASSI (RESI  110  AND NAME HD1#)     (RESI 14  AND NAME HD#  )  6.57      6.57       0.0
ASSI (RESI  110  AND NAME HG2#)     (RESI 14  AND NAME HD#  )  6.92      6.92       0.0
ASSI (RESI  49   AND NAME HD1#)     (RESI 14  AND NAME HE#  )  7.30      7.30       0.0
ASSI (RESI  49   AND NAME HD2#)     (RESI 14  AND NAME HE#  )  4.83      4.83       0.0
ASSI (RESI  53   AND NAME HA  )     (RESI 14  AND NAME HE#  )  2.74      2.74       0.0
ASSI (RESI  53   AND NAME HB  )     (RESI 14  AND NAME HE#  )  3.82      3.82       0.0
ASSI (RESI  53   AND NAME HG1 )     (RESI 14  AND NAME HE#  )  5.63      5.63       0.0
ASSI (RESI  53   AND NAME HG2#)     (RESI 14  AND NAME HE#  )  2.38      2.38       0.0
ASSI (RESI  53   AND NAME HN  )     (RESI 14  AND NAME HE#  )  6.0       6.0        0.0 ! Overlap 3.34 --> 6.0
ASSI (RESI  54   AND NAME HB1 )     (RESI 14  AND NAME HE#  )  6.73      6.73       0.0
ASSI (RESI  54   AND NAME HB2 )     (RESI 14  AND NAME HE#  )  6.18      6.18       0.0
ASSI (RESI  54   AND NAME HD# )     (RESI 14  AND NAME HE#  )  6.18      6.18       0.0
ASSI (RESI  54   AND NAME HG2 )     (RESI 14  AND NAME HE#  )  6.20      6.20       0.0
ASSI (RESI  54   AND NAME HN  )     (RESI 14  AND NAME HE#  )  3.36      3.36       0.0
ASSI (RESI  58   AND NAME HE21)     (RESI 14  AND NAME HE#  )  6.0       6.0        0.0 ! overlap 3.33 --> 6.0
ASSI (RESI  58   AND NAME HE22)     (RESI 14  AND NAME HE#  )  4.16      4.16       0.0 
ASSI (RESI  58   AND NAME HG1 )     (RESI 14  AND NAME HE#  )  6.44      6.44       0.0
ASSI (RESI  58   AND NAME HG2 )     (RESI 14  AND NAME HE#  )  7.08      7.08       0.0
ASSI (RESI  59   AND NAME HE# )     (RESI 14  AND NAME HE#  )  3.28      3.28       0.0
ASSI (RESI  59   AND NAME HZ  )     (RESI 14  AND NAME HE#  )  2.39      2.39       0.0
ASSI (RESI  100  AND NAME HD1 )     (RESI 14  AND NAME HE#  )  6.52      6.52       0.0
ASSI (RESI  100  AND NAME HD2 )     (RESI 14  AND NAME HE#  )  5.25      5.25       0.0
ASSI (RESI  100  AND NAME HE1 )     (RESI 14  AND NAME HE#  )  3.99      3.99       0.0
ASSI (RESI  100  AND NAME HE2 )     (RESI 14  AND NAME HE#  )  3.90      3.90       0.0
ASSI (RESI  100  AND NAME HG1 )     (RESI 14  AND NAME HE#  )  6.80      6.80       0.0
ASSI (RESI  100  AND NAME HG2 )     (RESI 14  AND NAME HE#  )  7.89      7.89       0.0
ASSI (RESI  107  AND NAME HA  )     (RESI 14  AND NAME HE#  )  6.55      6.55       0.0
ASSI (RESI  107  AND NAME HB1 )     (RESI 14  AND NAME HE#  )  5.07      5.07       0.0
ASSI (RESI  107  AND NAME HB2 )     (RESI 14  AND NAME HE#  )  5.29      5.29       0.0
ASSI (RESI  108  AND NAME HA  )     (RESI 14  AND NAME HE#  )  5.33      5.33       0.0
ASSI (RESI  108  AND NAME HB# )     (RESI 14  AND NAME HE#  )  4.71      4.71       0.0
ASSI (RESI  108  AND NAME HD# )     (RESI 14  AND NAME HE#  )  6.56      6.56       0.0
ASSI (RESI  108  AND NAME HE# )     (RESI 14  AND NAME HE#  )  3.31      3.31       0.0
ASSI (RESI  110  AND NAME HD1#)     (RESI 14  AND NAME HE#  )  7.07      7.07       1.0 ! spin diffusion
ASSI (RESI  110  AND NAME HG2#)     (RESI 14  AND NAME HE#  )  7.37      7.37       1.0 ! spin diffusion
ASSI (RESI  108  AND NAME HB# )     (RESI 14  AND NAME H    )  7.93      7.93       0.0
ASSI (RESI  108  AND NAME HE# )     (RESI 14  AND NAME H    )  4.82      4.82       0.0
ASSI (RESI  109  AND NAME HN  )     (RESI 14  AND NAME H    )  6.65      6.65       0.0
ASSI ((RESI  109  AND NAME HG1#) or (RESI  109  AND NAME HG2#))     (RESI 15  AND NAME HB1  )  3.24      3.24       0.0
ASSI ((RESI  109  AND NAME HG1#) or (RESI  109  AND NAME HG2#))     (RESI 15  AND NAME HB2  )  3.72      3.72       0.0
ASSI (RESI  107  AND NAME HA  )     (RESI 15  AND NAME HN   )  5.69      5.69       0.0
ASSI (RESI  108  AND NAME HA  )     (RESI 15  AND NAME HN   )  3.51      3.51       0.0
ASSI (RESI  108  AND NAME HB# )     (RESI 15  AND NAME HN   )  6.32      6.32       0.0
ASSI (RESI  108  AND NAME HD# )     (RESI 15  AND NAME HN   )  7.82      7.82       0.0
ASSI (RESI  108  AND NAME HE# )     (RESI 15  AND NAME HN   )  6.87      6.87       0.0
ASSI (RESI  109  AND NAME HA  )     (RESI 15  AND NAME HN   )  7.47      7.47       0.0
ASSI ((RESI  109  AND NAME HG1#) or (RESI  109  AND NAME HG2#))     (RESI 15  AND NAME HN   )  4.69      4.69       0.0
ASSI (RESI  109  AND NAME HN  )     (RESI 15  AND NAME HN   )  4.60      4.60       0.0
ASSI ((RESI  109  AND NAME HG1#) or (RESI  109  AND NAME HG2#))     (RESI 16  AND NAME HN   )  7.15      7.15       0.0
ASSI ((RESI  109  AND NAME HG1#) or (RESI  109  AND NAME HG2#))     (RESI 17  AND NAME HN   )  7.13      7.13       0.0
ASSI ((RESI  109  AND NAME HG1#) or (RESI  109  AND NAME HG2#))     (RESI 18  AND NAME HB1  )  3.02      3.02       0.0
ASSI ((RESI  109  AND NAME HG1#) or (RESI  109  AND NAME HG2#))     (RESI 18  AND NAME HB2  )  5.09      5.09       0.0
ASSI (RESI  97   AND NAME HD# )     (RESI 18  AND NAME HN   )  7.36      7.36       0.0
ASSI (RESI  97   AND NAME HE# )     (RESI 18  AND NAME HN   )  8.28      8.28       0.0
ASSI ((RESI  109  AND NAME HG1#) or (RESI  109  AND NAME HG2#))     (RESI 18  AND NAME HN   )  5.15      5.15       0.0
ASSI (RESI  105  AND NAME HA  )     (RESI 19  AND NAME HB   )  6.95      6.95       0.0
ASSI (RESI  105  AND NAME HB1 )     (RESI 19  AND NAME HB   )  6.26      6.26       0.0
ASSI (RESI  105  AND NAME HB2 )     (RESI 19  AND NAME HB   )  5.90      5.90       0.0
ASSI (RESI  105  AND NAME HD# )     (RESI 19  AND NAME HB   )  4.67      4.67       0.0
ASSI (RESI  105  AND NAME HG1 )     (RESI 19  AND NAME HB   )  4.84      4.84       0.0
ASSI (RESI  105  AND NAME HG2 )     (RESI 19  AND NAME HB   )  4.90      4.90       0.0
ASSI (RESI  106  AND NAME HN  )     (RESI 19  AND NAME HB   )  5.12      5.12       0.0
ASSI (RESI  97   AND NAME HB1 )     (RESI 19  AND NAME HG1  )  6.05      6.05       0.0
ASSI (RESI  97   AND NAME HB2 )     (RESI 19  AND NAME HG1  )  7.04      7.04       0.0
ASSI (RESI  97   AND NAME HD# )     (RESI 19  AND NAME HG1  )  4.89      4.89       0.0
!ASSI (RESI  97   AND NAME HN  )     (RESI 19  AND NAME HG1  )  7.92      7.92       0.0 ! Spin diffusion or incorrect
ASSI (RESI  98   AND NAME HN  )     (RESI 19  AND NAME HG1  )  7.84      7.84       0.0
ASSI (RESI  106  AND NAME HA  )     (RESI 19  AND NAME HG1  )  6.62      6.62       0.0
ASSI (RESI  106  AND NAME HB1 )     (RESI 19  AND NAME HG1  )  5.29      5.29       0.0
ASSI (RESI  106  AND NAME HB2 )     (RESI 19  AND NAME HG1  )  5.49      5.49       0.0
ASSI (RESI  106  AND NAME HN  )     (RESI 19  AND NAME HG1  )  5.60      5.60       0.0
ASSI (RESI  107  AND NAME HA  )     (RESI 19  AND NAME HG1  )  7.23      7.23       0.0
ASSI (RESI  107  AND NAME HN  )     (RESI 19  AND NAME HG1  )  6.71      6.71       0.0
ASSI (RESI  108  AND NAME HN  )     (RESI 19  AND NAME HG1  )  6.69      6.69       0.0
ASSI ((RESI  109  AND NAME HG1#) or (RESI  109  AND NAME HG2#))     (RESI 19  AND NAME HG1  )  6.06      6.06       0.0
ASSI (RESI  105  AND NAME HA  )     (RESI 19  AND NAME HG2# )  6.55      6.55       0.0
ASSI (RESI  105  AND NAME HD# )     (RESI 19  AND NAME HG2# )  3.11      3.11       0.0
ASSI (RESI  105  AND NAME HE# )     (RESI 19  AND NAME HG2# )  3.67      3.67       0.0
ASSI (RESI  105  AND NAME HG1 )     (RESI 19  AND NAME HG2# )  3.88      3.88       0.0
ASSI (RESI  105  AND NAME HG2 )     (RESI 19  AND NAME HG2# )  3.93      3.93       0.0
ASSI (RESI  106  AND NAME HN  )     (RESI 19  AND NAME HG2# )  4.55      4.55       0.0
ASSI (RESI  107  AND NAME HA  )     (RESI 19  AND NAME HG2# )  4.91      4.91       0.0
ASSI (RESI  97   AND NAME HD# )     (RESI 19  AND NAME HN   )  5.72      5.72       0.0
ASSI (RESI  97   AND NAME HE# )     (RESI 19  AND NAME HN   )  5.24      5.24       0.0
ASSI (RESI  105  AND NAME HB2 )     (RESI 19  AND NAME HN   )  8.06      8.06       0.0
ASSI (RESI  105  AND NAME HG1 )     (RESI 19  AND NAME HN   )  8.73      8.73       0.0
ASSI (RESI  105  AND NAME HG2 )     (RESI 19  AND NAME HN   )  6.03      6.03       0.0
ASSI (RESI  63   AND NAME HG1#)     (RESI 20  AND NAME HB1  )  6.40      6.40       0.0
ASSI (RESI  97   AND NAME HB1 )     (RESI 20  AND NAME HB1  )  6.36      6.36       0.0
ASSI (RESI  97   AND NAME HD# )     (RESI 20  AND NAME HB1  )  4.41      4.41       0.0
ASSI (RESI  97   AND NAME HE# )     (RESI 20  AND NAME HB1  )  6.33      6.33       0.0
ASSI (RESI  99   AND NAME HE# )     (RESI 20  AND NAME HB1  )  5.68      5.68       0.0
ASSI (RESI  99   AND NAME HZ  )     (RESI 20  AND NAME HB1  )  4.15      4.15       0.0
ASSI (RESI  106  AND NAME HB2 )     (RESI 20  AND NAME HB1  )  6.20      6.20       0.0
ASSI (RESI  106  AND NAME HN  )     (RESI 20  AND NAME HB1  )  6.37      6.37       0.0
ASSI (RESI  63   AND NAME HG1#)     (RESI 20  AND NAME HB2  )  7.31      7.31       0.0
ASSI (RESI  65   AND NAME HD1#)     (RESI 20  AND NAME HB2  )  6.80      6.80       0.0
ASSI (RESI  97   AND NAME HB1 )     (RESI 20  AND NAME HB2  )  7.49      7.49       0.0
ASSI (RESI  97   AND NAME HD# )     (RESI 20  AND NAME HB2  )  4.78      4.78       0.0
ASSI (RESI  97   AND NAME HE# )     (RESI 20  AND NAME HB2  )  6.14      6.14       0.0
ASSI (RESI  99   AND NAME HE# )     (RESI 20  AND NAME HB2  )  6.45      6.45       0.0
ASSI (RESI  99   AND NAME HZ  )     (RESI 20  AND NAME HB2  )  4.58      4.58       0.0
ASSI (RESI  106  AND NAME HB2 )     (RESI 20  AND NAME HB2  )  6.83      6.83       0.0
ASSI (RESI  106  AND NAME HN  )     (RESI 20  AND NAME HB2  )  7.34      7.34       0.0
ASSI (RESI  62   AND NAME HA  )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  7.23      7.23       0.0
ASSI (RESI  63   AND NAME HA  )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  5.30      5.30       0.0
ASSI (RESI  63   AND NAME HB  )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  3.09      3.09       0.0
ASSI (RESI  63   AND NAME HG1#)     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  2.45      2.45       0.0
ASSI (RESI  63   AND NAME HG2#)     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  2.20      2.20       0.0
ASSI (RESI  63   AND NAME HN  )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  4.50      4.50       0.0
ASSI (RESI  64   AND NAME HN  )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  6.10      6.10       0.0
ASSI (RESI  65   AND NAME HD1#)     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  2.49      2.49       0.0
ASSI (RESI  65   AND NAME HD2#)     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  2.43      2.43       0.0
ASSI (RESI  65   AND NAME HG  )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  4.69      4.69       0.0
ASSI (RESI  71   AND NAME HD# )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  2.42      2.42       0.0
ASSI (RESI  71   AND NAME HE# )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  3.15      3.15       0.0
ASSI (RESI  72   AND NAME HN  )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  5.85      5.85       0.0
ASSI (RESI  96   AND NAME HA  )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  6.64      6.64       0.0
ASSI (RESI  97   AND NAME HA  )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  6.16      6.16       0.0
ASSI (RESI  97   AND NAME HB1 )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  4.17      4.17       0.0
ASSI (RESI  97   AND NAME HB2 )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  4.03      4.03       0.0
ASSI (RESI  97   AND NAME HD# )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  2.59      2.59       0.0
ASSI (RESI  97   AND NAME HE# )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  3.47      3.47       0.0
ASSI (RESI  97   AND NAME HN  )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  4.85      4.85       0.0
ASSI (RESI  99   AND NAME HD# )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  4.71      4.71       0.0
ASSI (RESI  99   AND NAME HE# )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  3.34      3.34       0.0
ASSI (RESI  99   AND NAME HZ  )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  2.45      2.45       0.0
ASSI (RESI  105  AND NAME HA  )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  6.11      6.11       0.0
ASSI (RESI  106  AND NAME HB2 )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  4.70      4.70       0.0
ASSI (RESI  106  AND NAME HN  )     ((RESI  20  AND NAME HD1#) or (RESI  20  AND NAME HD2#))  4.89      4.89       0.0
ASSI (RESI  99   AND NAME HE# )     (RESI 20  AND NAME HG   )  6.18      6.18       0.0
ASSI (RESI  99   AND NAME HZ  )     (RESI 20  AND NAME HG   )  4.43      4.43       0.0
ASSI (RESI  97   AND NAME HD# )     (RESI 20  AND NAME HN   )  4.45      4.45       0.0
ASSI (RESI  97   AND NAME HE# )     (RESI 20  AND NAME HN   )  4.23      4.23       0.0
ASSI (RESI  105  AND NAME HA  )     (RESI 20  AND NAME HN   )  6.75      6.75       0.0
ASSI (RESI  105  AND NAME HB1 )     (RESI 20  AND NAME HN   )  7.53      7.53       0.0
ASSI (RESI  105  AND NAME HB2 )     (RESI 20  AND NAME HN   )  6.98      6.98       0.0
ASSI (RESI  105  AND NAME HD# )     (RESI 20  AND NAME HN   )  6.53      6.53       0.0
ASSI (RESI  105  AND NAME HG1 )     (RESI 20  AND NAME HN   )  7.33      7.33       0.0
ASSI (RESI  105  AND NAME HG2 )     (RESI 20  AND NAME HN   )  7.00      7.00       0.0
ASSI (RESI  106  AND NAME HB1 )     (RESI 20  AND NAME HN   )  5.94      5.94       0.0
ASSI (RESI  106  AND NAME HN  )     (RESI 20  AND NAME HN   )  4.41      4.41       0.0
ASSI (RESI  107  AND NAME HN  )     (RESI 20  AND NAME HN   )  7.15      7.15       0.0
ASSI ((RESI  109  AND NAME HG1#) or (RESI  109  AND NAME HG2#))     (RESI 20  AND NAME HN   )  7.28      7.28       0.0
ASSI (RESI  99   AND NAME HE# )     (RESI 21  AND NAME HA   )  6.93      6.93       0.0
ASSI (RESI  105  AND NAME HA  )     (RESI 21  AND NAME HA   )  3.85      3.85       0.0
ASSI (RESI  105  AND NAME HB1 )     (RESI 21  AND NAME HA   )  8.76      8.76       0.0
ASSI (RESI  105  AND NAME HB2 )     (RESI 21  AND NAME HA   )  7.70      7.70       0.0
ASSI (RESI  105  AND NAME HD# )     (RESI 21  AND NAME HA   )  7.00      7.00       0.0
ASSI (RESI  105  AND NAME HG1 )     (RESI 21  AND NAME HA   )  8.21      8.21       0.0
ASSI (RESI  105  AND NAME HG2 )     (RESI 21  AND NAME HA   )  9.03      9.03       0.0
ASSI (RESI  106  AND NAME HN  )     (RESI 21  AND NAME HA   )  6.49      6.49       0.0
ASSI (RESI  105  AND NAME HA  )     (RESI 21  AND NAME HB1  )  6.84      6.84       0.0
ASSI (RESI  105  AND NAME HB2 )     (RESI 21  AND NAME HB1  )  7.20      7.20       0.0
ASSI (RESI  105  AND NAME HD# )     (RESI 21  AND NAME HB1  )  6.14      6.14       0.0
ASSI (RESI  105  AND NAME HG2 )     (RESI 21  AND NAME HB1  )  6.42      6.42       0.0
ASSI (RESI  105  AND NAME HA  )     (RESI 21  AND NAME HB2  )  6.72      6.72       0.0
ASSI (RESI  105  AND NAME HB1 )     (RESI 21  AND NAME HB2  )  7.48      7.48       0.0
ASSI (RESI  105  AND NAME HB2 )     (RESI 21  AND NAME HB2  )  6.92      6.92       0.0
ASSI (RESI  105  AND NAME HD# )     (RESI 21  AND NAME HB2  )  5.59      5.59       0.0
ASSI (RESI  105  AND NAME HG1 )     (RESI 21  AND NAME HB2  )  6.86      6.86       0.0
ASSI (RESI  105  AND NAME HG2 )     (RESI 21  AND NAME HB2  )  6.14      6.14       0.0
ASSI (RESI  105  AND NAME HB1 )     (RESI 21  AND NAME HN   )  7.72      7.72       0.0
ASSI (RESI  105  AND NAME HB2 )     (RESI 21  AND NAME HN   )  7.72      7.72       0.0
ASSI (RESI  105  AND NAME HA  )     (RESI 21  AND NAME HN   )  6.51      6.51       0.0
ASSI (RESI  105  AND NAME HG1 )     (RESI 21  AND NAME HN   )  7.75      7.75       0.0
ASSI (RESI  106  AND NAME HN  )     (RESI 21  AND NAME HN   )  6.71      6.71       0.0
ASSI (RESI  99   AND NAME HD# )     (RESI 22  AND NAME HB1  )  7.62      7.62       0.0
ASSI (RESI  99   AND NAME HE# )     (RESI 22  AND NAME HB1  )  6.00      6.00       0.0
ASSI (RESI  99   AND NAME HZ  )     (RESI 22  AND NAME HB1  )  7.00      7.00       0.0
ASSI (RESI  104  AND NAME HA  )     (RESI 22  AND NAME HB1  )  5.54      5.54       0.0
ASSI (RESI  104  AND NAME HB1 )     (RESI 22  AND NAME HB1  )  5.55      5.55       0.0
ASSI (RESI  104  AND NAME HB2 )     (RESI 22  AND NAME HB1  )  5.68      5.68       0.0
ASSI (RESI  63   AND NAME HG1#)     (RESI 22  AND NAME HB2  )  5.02      5.02       0.0
ASSI (RESI  104  AND NAME HA  )     (RESI 22  AND NAME HB2  )  4.91      4.91       0.0
ASSI (RESI  104  AND NAME HB1 )     (RESI 22  AND NAME HB2  )  5.31      5.31       0.0
ASSI (RESI  104  AND NAME HB2 )     (RESI 22  AND NAME HB2  )  5.42      5.42       0.0
ASSI (RESI  105  AND NAME HA  )     (RESI 22  AND NAME HB2  )  6.82      6.82       0.0
ASSI (RESI  61   AND NAME HE1 )     (RESI 22  AND NAME HD1# )  6.12      6.12       0.0
ASSI (RESI  61   AND NAME HE2 )     (RESI 22  AND NAME HD1# )  5.63      5.63       0.0
ASSI (RESI  61   AND NAME HG2 )     (RESI 22  AND NAME HD1# )  5.70      5.70       0.0
ASSI (RESI  63   AND NAME HB  )     (RESI 22  AND NAME HD1# )  5.85      5.85       0.0
ASSI (RESI  63   AND NAME HG1#)     (RESI 22  AND NAME HD1# )  2.67      2.67       0.0
ASSI (RESI  63   AND NAME HG2#)     (RESI 22  AND NAME HD1# )  3.85      3.85       0.0
ASSI (RESI  71   AND NAME HE# )     (RESI 22  AND NAME HD1# )  5.21      5.21       0.0
ASSI (RESI  99   AND NAME HD# )     (RESI 22  AND NAME HD1# )  5.77      5.77       0.0
ASSI (RESI  99   AND NAME HE# )     (RESI 22  AND NAME HD1# )  4.21      4.21       0.0
ASSI (RESI  99   AND NAME HZ  )     (RESI 22  AND NAME HD1# )  3.86      3.86       0.0
ASSI (RESI  104  AND NAME HA  )     (RESI 22  AND NAME HD1# )  6.01      6.01       0.0
ASSI (RESI  104  AND NAME HB1 )     (RESI 22  AND NAME HD1# )  6.52      6.52       0.0
ASSI (RESI  104  AND NAME HB2 )     (RESI 22  AND NAME HD1# )  6.87      6.87       0.0
ASSI (RESI  105  AND NAME HA  )     (RESI 22  AND NAME HD1# )  7.18      7.18       0.0
ASSI (RESI  61   AND NAME HD1 )     (RESI 22  AND NAME HD2# )  5.09      5.09       0.0
ASSI (RESI  61   AND NAME HE1 )     (RESI 22  AND NAME HD2# )  3.58      3.58       0.0
ASSI (RESI  61   AND NAME HE2 )     (RESI 22  AND NAME HD2# )  3.05      3.05       0.0
ASSI (RESI  61   AND NAME HG2 )     (RESI 22  AND NAME HD2# )  5.78      5.78       0.0
ASSI (RESI  62   AND NAME HA  )     (RESI 22  AND NAME HD2# )  7.58      7.58       0.0
ASSI (RESI  63   AND NAME HB  )     (RESI 22  AND NAME HD2# )  5.66      5.66       0.0
ASSI (RESI  63   AND NAME HG1#)     (RESI 22  AND NAME HD2# )  2.87      2.87       0.0
ASSI (RESI  71   AND NAME HE# )     (RESI 22  AND NAME HD2# )  7.20      7.20       0.0
ASSI (RESI  73   AND NAME HG2#)     (RESI 22  AND NAME HD2# )  4.68      4.68       0.0
ASSI (RESI  99   AND NAME HB1 )     (RESI 22  AND NAME HD2# )  6.58      6.58       0.0
ASSI (RESI  99   AND NAME HD# )     (RESI 22  AND NAME HD2# )  4.49      4.49       0.0
ASSI (RESI  99   AND NAME HE# )     (RESI 22  AND NAME HD2# )  3.94      3.94       0.0
ASSI (RESI  99   AND NAME HZ  )     (RESI 22  AND NAME HD2# )  4.28      4.28       0.0
ASSI (RESI  104  AND NAME HA  )     (RESI 22  AND NAME HD2# )  3.60      3.60       0.0
ASSI (RESI  104  AND NAME HB1 )     (RESI 22  AND NAME HD2# )  4.92      4.92       0.0
ASSI (RESI  104  AND NAME HB2 )     (RESI 22  AND NAME HD2# )  5.11      5.11       0.0
ASSI (RESI  105  AND NAME HA  )     (RESI 22  AND NAME HD2# )  6.69      6.69       0.0
ASSI (RESI  105  AND NAME HN  )     (RESI 22  AND NAME HD2# )  7.59      7.59       0.0
ASSI (RESI  99   AND NAME HD# )     ((RESI  22  AND NAME HG) or (RESI  22  AND NAME HB2))  6.12      6.12       0.0
ASSI (RESI  99   AND NAME HE# )     ((RESI  22  AND NAME HG) or (RESI  22  AND NAME HB2))  4.21      4.21       0.0
ASSI (RESI  99   AND NAME HZ  )     ((RESI  22  AND NAME HG) or (RESI  22  AND NAME HB2))  4.70      4.70       0.0
ASSI (RESI  63   AND NAME HG1#)     (RESI 22  AND NAME HN   )  8.29      8.29       0.0
ASSI (RESI  99   AND NAME HD# )     (RESI 22  AND NAME HN   )  8.03      8.03       0.0
ASSI (RESI  99   AND NAME HE# )     (RESI 22  AND NAME HN   )  5.60      5.60       0.0
ASSI (RESI  99   AND NAME HZ  )     (RESI 22  AND NAME HN   )  7.85      7.85       0.0
ASSI (RESI  104  AND NAME HA  )     (RESI 22  AND NAME HN   )  6.16      6.16       0.0
ASSI (RESI  104  AND NAME HB1 )     (RESI 22  AND NAME HN   )  6.11      6.11       0.0
ASSI (RESI  104  AND NAME HB2 )     (RESI 22  AND NAME HN   )  6.05      6.05       0.0
ASSI (RESI  105  AND NAME HA  )     (RESI 22  AND NAME HN   )  4.98      4.98       0.0
ASSI (RESI  105  AND NAME HB1 )     (RESI 22  AND NAME HN   )  8.20      8.20       0.0
ASSI (RESI  105  AND NAME HB2 )     (RESI 22  AND NAME HN   )  7.17      7.17       0.0
ASSI (RESI  105  AND NAME HD# )     (RESI 22  AND NAME HN   )  7.05      7.05       0.0
ASSI (RESI  105  AND NAME HG1 )     (RESI 22  AND NAME HN   )  7.12      7.12       0.0
ASSI (RESI  105  AND NAME HG2 )     (RESI 22  AND NAME HN   )  7.12      7.12       0.0
ASSI (RESI  105  AND NAME HN  )     (RESI 22  AND NAME HN   )  7.84      7.84       0.0
ASSI (RESI  106  AND NAME HN  )     (RESI 22  AND NAME HN   )  6.33      6.33       0.0
ASSI (RESI  104  AND NAME HB1 )     (RESI 23  AND NAME HB1  )  6.43      6.43       0.0
ASSI (RESI  104  AND NAME HB2 )     (RESI 23  AND NAME HB1  )  5.89      5.89       0.0
ASSI (RESI  104  AND NAME HB1 )     (RESI 23  AND NAME HB2  )  6.47      6.47       0.0
ASSI (RESI  104  AND NAME HB2 )     (RESI 23  AND NAME HB2  )  6.57      6.57       0.0
ASSI (RESI  104  AND NAME HB1 )     (RESI 23  AND NAME HD21 )  6.08      6.08       0.0
ASSI (RESI  104  AND NAME HB1 )     (RESI 23  AND NAME HD22 )  5.72      5.72       0.0
ASSI (RESI  104  AND NAME HB2 )     (RESI 23  AND NAME HD22 )  5.46      5.46       0.0
ASSI (RESI  104  AND NAME HB1 )     (RESI 23  AND NAME HN   )  6.73      6.73       0.0
ASSI (RESI  104  AND NAME HB2 )     (RESI 23  AND NAME HN   )  6.59      6.59       0.0
!
! EOF
                  
!
! CHIPS-C5aR(P7-28S) complex
! Additional restraint file of intramolecular protein-protein NOE's between
! hydroxyl threonine atoms and other protons.
!
! 6.
! CHIPS complex CHIPS-C5aR(P7-28S) intermolecular distance restraints.
! 3D-13C-edited-13C filtered HSQC-NOESY alifatic (900 MHz, expno20, 200 ms mixing time).
! Spin diffusion low intensity peaks translated into distance restraints using 
! empirical R^4.5 translation, i.e. just inbetween R^3 and R^6 relaxation averaging.
! Intensity of the HG2# Thr53 - HE# sTyr14 NOE peak is scaled to a yardstick distance
! of approx. 2.2 angstrom.
!
! Note that this list is only a subset of intramolecular CHIPS protein-protein NOE's 
! going from 13C-labelled resonances to the solvent protected hydroxyl groups HG1 of
! residues Thr53 and Thr96.  
!
ASSI (RESI  49   AND NAME HA   )   (RESI 53  AND NAME HG1  )  4.21   4.21    1.0
ASSI (RESI  49   AND NAME HD1# )   (RESI 53  AND NAME HG1  )  4.06   4.06    1.0
ASSI (RESI  49   AND NAME HD2# )   (RESI 53  AND NAME HG1  )  3.73   3.73    1.0
ASSI (RESI  49   AND NAME HG   )   (RESI 53  AND NAME HG1  )  4.14   4.14    1.0
ASSI (RESI  50   AND NAME HA   )   (RESI 53  AND NAME HG1  )  3.48   3.48    1.0
ASSI (RESI  50   AND NAME HB1  )   (RESI 53  AND NAME HG1  )  4.52   4.52    1.0
ASSI (RESI  50   AND NAME HG1  )   (RESI 53  AND NAME HG1  )  4.81   4.81    1.0
ASSI (RESI  50   AND NAME HG2  )   (RESI 53  AND NAME HG1  )  5.03   5.03    1.0
ASSI (RESI  52   AND NAME HA1  )   (RESI 53  AND NAME HG1  )  5.88   5.88    1.0
ASSI (RESI  52   AND NAME HA2  )   (RESI 53  AND NAME HG1  )  5.76   5.76    1.0
ASSI (RESI  53   AND NAME HA   )   (RESI 53  AND NAME HG1  )  3.72   3.72    1.0
ASSI (RESI  53   AND NAME HB   )   (RESI 53  AND NAME HG1  )  3.59   3.59    1.0
ASSI (RESI  53   AND NAME HG2# )   (RESI 53  AND NAME HG1  )  2.53   2.53    1.0
ASSI (RESI  56   AND NAME HA   )   (RESI 53  AND NAME HG1  )  4.25   4.25    1.0
ASSI (RESI  56   AND NAME HB1  )   (RESI 53  AND NAME HG1  )  3.87   3.87    1.0
ASSI (RESI  56   AND NAME HB2  )   (RESI 53  AND NAME HG1  )  3.95   3.95    1.0
ASSI (RESI  41   AND NAME HD2# )   (RESI 96  AND NAME HG1  )  3.00   3.00    1.0
ASSI (RESI  41   AND NAME HD1# )   (RESI 96  AND NAME HG1  )  4.19   4.19    1.0
ASSI (RESI  45   AND NAME HD2# )   (RESI 96  AND NAME HG1  )  3.00   3.00    1.0
ASSI (RESI  45   AND NAME HD1# )   (RESI 96  AND NAME HG1  )  3.76   3.76    1.0
ASSI (RESI  64   AND NAME HA   )   (RESI 96  AND NAME HG1  )  3.75   3.75    1.0
ASSI (RESI  64   AND NAME HD1# )   (RESI 96  AND NAME HG1  )  4.19   4.19    1.0
ASSI (RESI  64   AND NAME HG11 )   (RESI 96  AND NAME HG1  )  4.75   4.75    1.0
ASSI (RESI  64   AND NAME HG12 )   (RESI 96  AND NAME HG1  )  4.31   4.31    1.0
ASSI (RESI  64   AND NAME HG2# )   (RESI 96  AND NAME HG1  )  3.09   3.09    1.0
!ASSI (RESI  66   AND NAME HA   )   (RESI 96  AND NAME HG1  )  5.17   5.17    1.0 ! spin diffusion
ASSI (RESI  66   AND NAME HG2# )   (RESI 96  AND NAME HG1  )  6.0    6.0     1.0 ! spin diffusion 4.64 -> 6.0
ASSI (RESI  93   AND NAME HB1  )   (RESI 96  AND NAME HG1  )  5.19   5.19    1.0
ASSI (RESI  93   AND NAME HB2  )   (RESI 96  AND NAME HG1  )  4.77   4.77    1.0
ASSI (RESI  93   AND NAME HE#  )   (RESI 96  AND NAME HG1  )  2.60   2.60    1.0
ASSI (RESI  93   AND NAME HG#  )   (RESI 96  AND NAME HG1  )  3.37   3.37    1.0
ASSI (RESI  95   AND NAME HA   )   (RESI 96  AND NAME HG1  )  3.99   3.99    1.0
ASSI (RESI  96   AND NAME HA   )   (RESI 96  AND NAME HG1  )  3.43   3.43    1.0
ASSI (RESI  96   AND NAME HB   )   (RESI 96  AND NAME HG1  )  2.88   2.88    1.0
ASSI (RESI  96   AND NAME HG2# )   (RESI 96  AND NAME HG1  )  2.84   2.84    1.0
ASSI (RESI  97   AND NAME HA   )   (RESI 96  AND NAME HG1  )  5.44   5.44    1.0
!ASSI (RESI  108  AND NAME HA   )   (RESI 96  AND NAME HG1  )  4.44   4.44    1.0
ASSI (RESI  109  AND NAME HG1# )   (RESI 96  AND NAME HG1  )  6.0    4.91    1.0 ! spin diffusion
ASSI (RESI  109  AND NAME HG2# )   (RESI 96  AND NAME HG1  )  6.0    4.75    1.0 ! spin diffusion
ASSI (RESI  110  AND NAME HB   )   (RESI 96  AND NAME HG1  )  3.93   3.93    1.0
ASSI (RESI  110  AND NAME HD1# )   (RESI 96  AND NAME HG1  )  4.46   4.46    1.0
ASSI (RESI  110  AND NAME HG2# )   (RESI 96  AND NAME HG1  )  3.49   3.49    1.0
!
! 7.
! Additional intermolecular restraints from the 2D filtered version of the spectrum 
! (900 MHz, expno8).
! Also contains additional HG1 to amide proton HN restraints.  
!
! Restraints commented out when doubly present in the above list of file 6.
!
! ASSI (RESI  53   AND NAME HG2# )   (RESI 53  AND NAME HG1 )  2.78   2.78    1.0 
ASSI (RESI  53   AND NAME HN   )   (RESI 53  AND NAME HG1 )  2.79   2.79    1.0
ASSI (RESI  45   AND NAME HA   )   (RESI 96  AND NAME HG1 )  5.92   5.92    1.0
!ASSI (RESI  45   AND NAME HD2# )   (RESI 96  AND NAME HG1 )  3.70   3.70    1.0
!ASSI (RESI  45   AND NAME HD1# )   (RESI 96  AND NAME HG1 )  3.20   3.20    1.0
ASSI (RESI  63   AND NAME HN   )   (RESI 96  AND NAME HG1 )  6.64   6.64    1.0
!ASSI (RESI  64   AND NAME HA   )   (RESI 96  AND NAME HG1 )  5.09   5.09    1.0
!ASSI (RESI  64   AND NAME HD1# )   (RESI 96  AND NAME HG1 )  3.43   3.43    1.0
!ASSI (RESI  64   AND NAME HG11 )   (RESI 96  AND NAME HG1 )  4.28   4.28    1.0
!ASSI (RESI  64   AND NAME HG12 )   (RESI 96  AND NAME HG1 )  5.94   5.94    1.0
!ASSI (RESI  64   AND NAME HG2# )   (RESI 96  AND NAME HG1 )  3.34   3.34    1.0
! The following two restraints are excluded, no realistic distance
! ASSI (RESI  72   AND NAME HD#  )   (RESI 96  AND NAME HG1 )  5.13   5.13    1.0
! ASSI (RESI  72   AND NAME HN   )   (RESI 96  AND NAME HG1 )  5.36   5.36    1.0
ASSI (RESI  93   AND NAME HA   )   (RESI 96  AND NAME HG1 )  6.02   6.02    1.0
!ASSI (RESI  93   AND NAME HB1  )   (RESI 96  AND NAME HG1 )  5.83   5.83    1.0
!ASSI (RESI  93   AND NAME HE#  )   (RESI 96  AND NAME HG1 )  2.74   2.74    1.0
!ASSI (RESI  93   AND NAME HG#  )   (RESI 96  AND NAME HG1 )  3.88   3.88    1.0
!ASSI (RESI  95   AND NAME HA   )   (RESI 96  AND NAME HG1 )  3.47   3.47    1.0
!ASSI (RESI  96   AND NAME HA   )   (RESI 96  AND NAME HG1 )  3.92   3.92    1.0
!ASSI (RESI  96   AND NAME HB   )   (RESI 96  AND NAME HG1 )  3.19   3.19    1.0
!ASSI (RESI  96   AND NAME HG2# )   (RESI 96  AND NAME HG1 )  2.98   2.98    1.0
ASSI (RESI  96   AND NAME HN   )   (RESI 96  AND NAME HG1 )  3.68   3.68    1.0
ASSI (RESI  97   AND NAME HN   )   (RESI 96  AND NAME HG1 )  3.27   3.27    1.0
ASSI (RESI  109  AND NAME HA   )   (RESI 96  AND NAME HG1 )  6.0    5.90    1.0 ! spin diffusion
ASSI (RESI  109  AND NAME HB   )   (RESI 96  AND NAME HG1 )  6.0    4.18    1.0 ! spin diffusion
ASSI ((RESI  109  AND NAME HG1# ) or (RESI  109  AND NAME HG1# ))  (RESI 96  AND NAME HG1 )  5.27   5.27    1.0
!ASSI (RESI  110  AND NAME HB   )   (RESI 96  AND NAME HG1 )  4.20   4.20    1.0
!ASSI (RESI  110  AND NAME HD1# )   (RESI 96  AND NAME HG1 )  4.91   4.91    1.0
!ASSI (RESI  110  AND NAME HG2# )   (RESI 96  AND NAME HG1 )  4.05   4.05    1.0 
ASSI (RESI  110  AND NAME HN   )   (RESI 96  AND NAME HG1 )  6.13   6.13    1.0
!
! EOF
                                             
                                             
                                             
                                             
                                             
                                             
                                             
                                             
                                             
                                             
                                             
                                             
                                             

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASN  31           H1       ASN  31   0.135  21.295  -8.588
    2    H2   ASN  31           H2       ASN  31  -0.436  21.453 -10.114
    3    H3   ASN  31           H3       ASN  31   0.862  22.340  -9.634
    4    HA   ASN  31           HA       ASN  31   0.729  19.438 -10.053
    5    HB2  ASN  31           HB2      ASN  31   2.527  21.522 -11.373
    6    HB3  ASN  31           HB3      ASN  31   2.509  19.801 -11.716
    7   HD21  ASN  31          HD21      ASN  31   2.132  21.531 -13.874
    8   HD22  ASN  31          HD22      ASN  31   0.454  21.396 -14.371
    9    H    SER  32           H        SER  32   2.038  18.168  -8.894
   10    HA   SER  32           HA       SER  32   4.174  19.408  -7.193
   11    HB2  SER  32           HB2      SER  32   1.886  17.642  -6.270
   12    HB3  SER  32           HB3      SER  32   3.229  18.213  -5.260
   13    HG   SER  32           HG       SER  32   1.491  19.547  -4.970
   14    H    GLY  33           H        GLY  33   4.121  17.344  -9.558
   15    HA2  GLY  33           HA2      GLY  33   5.477  15.608 -10.188
   16    HA3  GLY  33           HA3      GLY  33   6.423  15.895  -8.729
   17    H    LEU  34           H        LEU  34   3.142  14.646  -9.483
   18    HA   LEU  34           HA       LEU  34   3.560  12.363  -7.583
   19    HB2  LEU  34           HB2      LEU  34   1.002  13.942  -8.047
   20    HB3  LEU  34           HB3      LEU  34   1.237  12.662  -6.871
   21    HG   LEU  34           HG       LEU  34   2.500  15.434  -6.785
   22   HD11  LEU  34          HD11      LEU  34   0.110  15.481  -6.326
   23   HD12  LEU  34          HD12      LEU  34   1.007  15.734  -4.820
   24   HD13  LEU  34          HD13      LEU  34   0.272  14.154  -5.165
   25   HD21  LEU  34          HD21      LEU  34   2.644  13.122  -4.813
   26   HD22  LEU  34          HD22      LEU  34   3.156  14.780  -4.458
   27   HD23  LEU  34          HD23      LEU  34   4.001  13.864  -5.704
   28    HA   PRO  35           HA       PRO  35   1.521   9.988 -10.952
   29    HB2  PRO  35           HB2      PRO  35   0.716   7.789  -9.591
   30    HB3  PRO  35           HB3      PRO  35   2.440   8.059 -10.014
   31    HG2  PRO  35           HG2      PRO  35   1.066   8.620  -7.369
   32    HG3  PRO  35           HG3      PRO  35   2.629   7.796  -7.653
   33    HD2  PRO  35           HD2      PRO  35   2.389  10.461  -6.991
   34    HD3  PRO  35           HD3      PRO  35   3.728   9.840  -8.004
   35    H    THR  36           H        THR  36  -0.716   9.547 -11.473
   36    HA   THR  36           HA       THR  36  -2.708  10.641  -9.513
   37    HB   THR  36           HB       THR  36  -1.993  12.366 -11.030
   38    HG1  THR  36           HG1      THR  36  -4.597  11.369 -11.070
   39   HG21  THR  36          HG21      THR  36  -2.781  12.377 -13.375
   40   HG22  THR  36          HG22      THR  36  -3.255  10.672 -13.234
   41   HG23  THR  36          HG23      THR  36  -1.545  11.148 -13.113
   42    H    THR  37           H        THR  37  -2.147   7.806 -11.314
   43    HA   THR  37           HA       THR  37  -5.077   7.233 -10.973
   44    HB   THR  37           HB       THR  37  -4.938   5.692 -12.927
   45    HG1  THR  37           HG1      THR  37  -3.355   6.085 -14.443
   46   HG21  THR  37          HG21      THR  37  -6.040   7.921 -13.071
   47   HG22  THR  37          HG22      THR  37  -5.325   7.401 -14.609
   48   HG23  THR  37          HG23      THR  37  -4.502   8.621 -13.617
   49    H    LEU  38           H        LEU  38  -5.500   5.625  -9.701
   50    HA   LEU  38           HA       LEU  38  -3.575   4.323  -8.206
   51    HB2  LEU  38           HB2      LEU  38  -6.190   4.661  -7.996
   52    HB3  LEU  38           HB3      LEU  38  -6.262   3.045  -8.690
   53    HG   LEU  38           HG       LEU  38  -5.061   3.960  -6.071
   54   HD11  LEU  38          HD11      LEU  38  -7.306   2.018  -6.773
   55   HD12  LEU  38          HD12      LEU  38  -7.472   3.634  -6.060
   56   HD13  LEU  38          HD13      LEU  38  -6.723   2.340  -5.127
   57   HD21  LEU  38          HD21      LEU  38  -3.526   2.222  -6.777
   58   HD22  LEU  38          HD22      LEU  38  -4.882   1.171  -7.275
   59   HD23  LEU  38          HD23      LEU  38  -4.594   1.537  -5.563
   60    H    GLY  39           H        GLY  39  -5.200   2.990 -11.128
   61    HA2  GLY  39           HA2      GLY  39  -4.412   0.340 -11.031
   62    HA3  GLY  39           HA3      GLY  39  -4.580   1.255 -12.529
   63    H    LYS  40           H        LYS  40  -2.341   3.041 -12.197
   64    HA   LYS  40           HA       LYS  40  -0.185   1.320 -13.102
   65    HB2  LYS  40           HB2      LYS  40  -0.074   4.259 -12.313
   66    HB3  LYS  40           HB3      LYS  40   1.121   3.363 -13.265
   67    HG2  LYS  40           HG2      LYS  40  -0.959   2.848 -14.819
   68    HG3  LYS  40           HG3      LYS  40  -1.681   4.239 -14.036
   69    HD2  LYS  40           HD2      LYS  40   1.023   4.279 -15.440
   70    HD3  LYS  40           HD3      LYS  40  -0.514   4.619 -16.243
   71    HE2  LYS  40           HE2      LYS  40  -0.917   6.554 -14.824
   72    HE3  LYS  40           HE3      LYS  40   0.551   6.219 -13.885
   73    HZ1  LYS  40           HZ1      LYS  40   1.886   6.665 -15.769
   74    HZ2  LYS  40           HZ2      LYS  40   0.839   7.920 -15.724
   75    HZ3  LYS  40           HZ3      LYS  40   0.626   6.700 -16.811
   76    H    LEU  41           H        LEU  41  -0.806   3.008 -10.040
   77    HA   LEU  41           HA       LEU  41   1.680   2.187  -8.787
   78    HB2  LEU  41           HB2      LEU  41   0.423   4.225  -8.221
   79    HB3  LEU  41           HB3      LEU  41  -0.916   3.271  -7.590
   80    HG   LEU  41           HG       LEU  41   1.848   2.775  -6.472
   81   HD11  LEU  41          HD11      LEU  41   1.716   5.225  -6.461
   82   HD12  LEU  41          HD12      LEU  41   1.494   4.605  -4.818
   83   HD13  LEU  41          HD13      LEU  41   0.088   5.163  -5.742
   84   HD21  LEU  41          HD21      LEU  41  -0.888   2.983  -5.129
   85   HD22  LEU  41          HD22      LEU  41   0.631   2.453  -4.366
   86   HD23  LEU  41          HD23      LEU  41  -0.118   1.468  -5.627
   87    H    ASP  42           H        ASP  42  -1.669   0.923  -8.744
   88    HA   ASP  42           HA       ASP  42  -1.346  -1.301  -7.002
   89    HB2  ASP  42           HB2      ASP  42  -3.538  -0.682  -7.776
   90    HB3  ASP  42           HB3      ASP  42  -3.056  -0.764  -9.467
   91    H    GLU  43           H        GLU  43  -0.656  -1.088 -10.508
   92    HA   GLU  43           HA       GLU  43   0.152  -3.829 -10.775
   93    HB2  GLU  43           HB2      GLU  43  -0.438  -2.342 -12.662
   94    HB3  GLU  43           HB3      GLU  43   1.041  -1.421 -12.420
   95    HG2  GLU  43           HG2      GLU  43   2.399  -3.135 -13.240
   96    HG3  GLU  43           HG3      GLU  43   1.287  -4.409 -12.733
   97    H    ARG  44           H        ARG  44   1.959  -0.862  -9.930
   98    HA   ARG  44           HA       ARG  44   4.518  -2.165  -9.735
   99    HB2  ARG  44           HB2      ARG  44   3.981   0.344  -9.946
  100    HB3  ARG  44           HB3      ARG  44   3.718   0.336  -8.194
  101    HG2  ARG  44           HG2      ARG  44   6.023  -0.408  -7.820
  102    HG3  ARG  44           HG3      ARG  44   6.234  -0.733  -9.535
  103    HD2  ARG  44           HD2      ARG  44   7.380   1.275  -9.127
  104    HD3  ARG  44           HD3      ARG  44   5.946   1.698 -10.029
  105    HE   ARG  44           HE       ARG  44   4.974   2.686  -8.069
  106   HH11  ARG  44          HH11      ARG  44   8.432   1.939  -7.599
  107   HH12  ARG  44          HH12      ARG  44   8.437   2.931  -6.150
  108   HH21  ARG  44          HH21      ARG  44   5.323   4.152  -6.431
  109   HH22  ARG  44          HH22      ARG  44   6.884   4.131  -5.597
  110    H    LEU  45           H        LEU  45   1.985  -1.553  -7.242
  111    HA   LEU  45           HA       LEU  45   3.485  -2.689  -5.084
  112    HB2  LEU  45           HB2      LEU  45   0.508  -2.293  -5.516
  113    HB3  LEU  45           HB3      LEU  45   1.188  -2.945  -4.029
  114    HG   LEU  45           HG       LEU  45   1.760  -0.165  -5.131
  115   HD11  LEU  45          HD11      LEU  45   0.463   0.492  -3.091
  116   HD12  LEU  45          HD12      LEU  45   0.095  -1.218  -2.806
  117   HD13  LEU  45          HD13      LEU  45  -0.503  -0.428  -4.267
  118   HD21  LEU  45          HD21      LEU  45   2.730  -1.557  -2.603
  119   HD22  LEU  45          HD22      LEU  45   2.790   0.195  -2.869
  120   HD23  LEU  45          HD23      LEU  45   3.723  -0.870  -3.913
  121    H    ARG  46           H        ARG  46   1.122  -4.322  -7.273
  122    HA   ARG  46           HA       ARG  46   1.530  -6.857  -5.859
  123    HB2  ARG  46           HB2      ARG  46   0.183  -7.887  -7.529
  124    HB3  ARG  46           HB3      ARG  46  -0.532  -6.385  -6.960
  125    HG2  ARG  46           HG2      ARG  46   0.322  -5.256  -9.055
  126    HG3  ARG  46           HG3      ARG  46   0.891  -6.808  -9.620
  127    HD2  ARG  46           HD2      ARG  46  -1.289  -6.244 -10.590
  128    HD3  ARG  46           HD3      ARG  46  -1.384  -7.697  -9.614
  129    HE   ARG  46           HE       ARG  46  -2.406  -4.963  -8.833
  130   HH11  ARG  46          HH11      ARG  46  -2.876  -8.487  -8.607
  131   HH12  ARG  46          HH12      ARG  46  -4.458  -8.196  -7.880
  132   HH21  ARG  46          HH21      ARG  46  -4.218  -4.851  -7.629
  133   HH22  ARG  46          HH22      ARG  46  -5.165  -6.332  -7.381
  134    H    ASN  47           H        ASN  47   3.232  -5.259  -8.451
  135    HA   ASN  47           HA       ASN  47   5.085  -7.496  -8.922
  136    HB2  ASN  47           HB2      ASN  47   5.145  -4.523  -9.500
  137    HB3  ASN  47           HB3      ASN  47   6.613  -5.467  -9.572
  138   HD21  ASN  47          HD21      ASN  47   3.810  -4.583 -11.313
  139   HD22  ASN  47          HD22      ASN  47   4.255  -5.510 -12.750
  140    H    TYR  48           H        TYR  48   5.223  -4.658  -6.663
  141    HA   TYR  48           HA       TYR  48   7.591  -5.304  -5.319
  142    HB2  TYR  48           HB2      TYR  48   5.110  -3.860  -4.624
  143    HB3  TYR  48           HB3      TYR  48   6.101  -4.331  -3.350
  144    HD1  TYR  48           HD1      TYR  48   8.452  -3.456  -3.264
  145    HD2  TYR  48           HD2      TYR  48   5.379  -1.727  -5.666
  146    HE1  TYR  48           HE1      TYR  48   9.764  -1.305  -3.417
  147    HE2  TYR  48           HE2      TYR  48   6.609   0.421  -5.734
  148    HH   TYR  48           HH       TYR  48   9.777   0.842  -4.162
  149    H    LEU  49           H        LEU  49   4.450  -6.888  -4.749
  150    HA   LEU  49           HA       LEU  49   5.443  -8.407  -2.497
  151    HB2  LEU  49           HB2      LEU  49   3.152  -8.592  -4.444
  152    HB3  LEU  49           HB3      LEU  49   3.607 -10.082  -3.645
  153    HG   LEU  49           HG       LEU  49   3.087  -7.565  -2.069
  154   HD11  LEU  49          HD11      LEU  49   1.046  -8.091  -3.343
  155   HD12  LEU  49          HD12      LEU  49   0.822  -8.535  -1.639
  156   HD13  LEU  49          HD13      LEU  49   1.156  -9.798  -2.838
  157   HD21  LEU  49          HD21      LEU  49   4.250  -9.318  -0.846
  158   HD22  LEU  49          HD22      LEU  49   3.024 -10.513  -1.310
  159   HD23  LEU  49          HD23      LEU  49   2.611  -9.159  -0.234
  160    H    LYS  50           H        LYS  50   5.347  -9.363  -5.977
  161    HA   LYS  50           HA       LYS  50   6.748 -11.852  -5.509
  162    HB2  LYS  50           HB2      LYS  50   6.702 -10.208  -8.072
  163    HB3  LYS  50           HB3      LYS  50   7.053 -11.937  -7.869
  164    HG2  LYS  50           HG2      LYS  50   4.728 -12.315  -7.097
  165    HG3  LYS  50           HG3      LYS  50   4.363 -10.600  -7.379
  166    HD2  LYS  50           HD2      LYS  50   5.354 -12.474  -9.546
  167    HD3  LYS  50           HD3      LYS  50   3.641 -12.196  -9.203
  168    HE2  LYS  50           HE2      LYS  50   3.870  -9.812  -9.714
  169    HE3  LYS  50           HE3      LYS  50   5.611  -9.995  -9.965
  170    HZ1  LYS  50           HZ1      LYS  50   3.521 -11.378 -11.570
  171    HZ2  LYS  50           HZ2      LYS  50   5.155 -11.493 -11.800
  172    HZ3  LYS  50           HZ3      LYS  50   4.380 -10.070 -12.072
  173    H    LYS  51           H        LYS  51   7.851  -8.658  -6.480
  174    HA   LYS  51           HA       LYS  51  10.671  -9.219  -6.698
  175    HB2  LYS  51           HB2      LYS  51   9.000  -6.719  -6.440
  176    HB3  LYS  51           HB3      LYS  51  10.750  -6.669  -6.559
  177    HG2  LYS  51           HG2      LYS  51  10.612  -7.910  -8.725
  178    HG3  LYS  51           HG3      LYS  51   8.848  -7.831  -8.600
  179    HD2  LYS  51           HD2      LYS  51   9.247  -6.058  -9.957
  180    HD3  LYS  51           HD3      LYS  51   9.209  -5.255  -8.415
  181    HE2  LYS  51           HE2      LYS  51  11.756  -6.146  -9.862
  182    HE3  LYS  51           HE3      LYS  51  11.025  -4.557 -10.062
  183    HZ1  LYS  51           HZ1      LYS  51  11.429  -4.105  -7.714
  184    HZ2  LYS  51           HZ2      LYS  51  12.826  -4.499  -8.493
  185    HZ3  LYS  51           HZ3      LYS  51  12.142  -5.590  -7.514
  186    H    GLY  52           H        GLY  52   8.704  -8.711  -3.856
  187    HA2  GLY  52           HA2      GLY  52  11.121  -7.918  -2.291
  188    HA3  GLY  52           HA3      GLY  52   9.562  -7.118  -2.199
  189    H    THR  53           H        THR  53   8.517 -10.239  -2.275
  190    HA   THR  53           HA       THR  53   9.128 -10.831   0.586
  191    HB   THR  53           HB       THR  53   7.347 -12.428   0.509
  192    HG1  THR  53           HG1      THR  53   6.766 -11.460  -2.131
  193   HG21  THR  53          HG21      THR  53   5.392 -11.038   0.242
  194   HG22  THR  53          HG22      THR  53   6.379  -9.793  -0.576
  195   HG23  THR  53          HG23      THR  53   6.672 -10.206   1.127
  196    H    LYS  54           H        LYS  54   9.400 -13.199   1.016
  197    HA   LYS  54           HA       LYS  54  11.091 -14.594  -0.957
  198    HB2  LYS  54           HB2      LYS  54  10.245 -15.536   1.818
  199    HB3  LYS  54           HB3      LYS  54  11.458 -16.224   0.758
  200    HG2  LYS  54           HG2      LYS  54  12.877 -15.028   2.083
  201    HG3  LYS  54           HG3      LYS  54  12.533 -13.780   0.901
  202    HD2  LYS  54           HD2      LYS  54  12.414 -12.695   2.966
  203    HD3  LYS  54           HD3      LYS  54  10.726 -12.923   2.527
  204    HE2  LYS  54           HE2      LYS  54  10.781 -15.055   3.977
  205    HE3  LYS  54           HE3      LYS  54  12.387 -14.525   4.509
  206    HZ1  LYS  54           HZ1      LYS  54  10.867 -13.683   6.079
  207    HZ2  LYS  54           HZ2      LYS  54   9.792 -13.203   4.957
  208    HZ3  LYS  54           HZ3      LYS  54  11.206 -12.362   5.138
  209    H    ASN  55           H        ASN  55   7.844 -14.648   0.480
  210    HA   ASN  55           HA       ASN  55   6.884 -16.157  -1.875
  211    HB2  ASN  55           HB2      ASN  55   7.313 -17.889  -0.169
  212    HB3  ASN  55           HB3      ASN  55   6.467 -16.934   1.046
  213   HD21  ASN  55          HD21      ASN  55   5.021 -18.612   1.508
  214   HD22  ASN  55          HD22      ASN  55   3.740 -19.053   0.379
  215    H    SER  56           H        SER  56   5.261 -15.080  -2.748
  216    HA   SER  56           HA       SER  56   3.660 -13.145  -1.195
  217    HB2  SER  56           HB2      SER  56   4.553 -12.391  -3.281
  218    HB3  SER  56           HB3      SER  56   3.865 -13.764  -4.152
  219    HG   SER  56           HG       SER  56   2.537 -11.939  -4.397
  220    H    ALA  57           H        ALA  57   3.268 -16.428  -2.410
  221    HA   ALA  57           HA       ALA  57   0.605 -16.399  -3.210
  222    HB1  ALA  57           HB1      ALA  57   0.777 -18.853  -3.008
  223    HB2  ALA  57           HB2      ALA  57   2.207 -18.672  -1.980
  224    HB3  ALA  57           HB3      ALA  57   2.266 -18.165  -3.684
  225    H    GLN  58           H        GLN  58   1.579 -16.163   0.029
  226    HA   GLN  58           HA       GLN  58  -0.837 -17.255   1.287
  227    HB2  GLN  58           HB2      GLN  58   0.265 -16.542   3.350
  228    HB3  GLN  58           HB3      GLN  58   1.385 -17.443   2.327
  229    HG2  GLN  58           HG2      GLN  58   2.270 -15.162   1.488
  230    HG3  GLN  58           HG3      GLN  58   1.322 -14.416   2.751
  231   HE21  GLN  58          HE21      GLN  58   4.312 -15.024   1.967
  232   HE22  GLN  58          HE22      GLN  58   5.003 -15.568   3.449
  233    H    PHE  59           H        PHE  59   0.020 -14.189  -0.149
  234    HA   PHE  59           HA       PHE  59  -1.507 -12.558   1.722
  235    HB2  PHE  59           HB2      PHE  59   0.098 -11.914  -0.732
  236    HB3  PHE  59           HB3      PHE  59  -0.876 -10.719   0.113
  237    HD1  PHE  59           HD1      PHE  59  -0.432 -10.131   2.492
  238    HD2  PHE  59           HD2      PHE  59   2.217 -12.698   0.299
  239    HE1  PHE  59           HE1      PHE  59   1.252  -9.926   4.298
  240    HE2  PHE  59           HE2      PHE  59   3.931 -12.466   2.073
  241    HZ   PHE  59           HZ       PHE  59   3.437 -11.116   4.094
  242    H    GLU  60           H        GLU  60  -3.192 -11.118   1.184
  243    HA   GLU  60           HA       GLU  60  -5.213 -12.246  -0.737
  244    HB2  GLU  60           HB2      GLU  60  -5.807 -13.251   1.219
  245    HB3  GLU  60           HB3      GLU  60  -5.213 -11.951   2.255
  246    HG2  GLU  60           HG2      GLU  60  -7.169 -10.594   1.794
  247    HG3  GLU  60           HG3      GLU  60  -7.744 -11.765   0.599
  248    H    LYS  61           H        LYS  61  -4.257  -9.421   1.269
  249    HA   LYS  61           HA       LYS  61  -5.211  -7.687  -0.880
  250    HB2  LYS  61           HB2      LYS  61  -6.808  -6.437   0.254
  251    HB3  LYS  61           HB3      LYS  61  -7.217  -8.096   0.640
  252    HG2  LYS  61           HG2      LYS  61  -6.200  -7.812   2.888
  253    HG3  LYS  61           HG3      LYS  61  -5.749  -6.142   2.476
  254    HD2  LYS  61           HD2      LYS  61  -7.989  -5.405   2.336
  255    HD3  LYS  61           HD3      LYS  61  -8.597  -7.056   2.185
  256    HE2  LYS  61           HE2      LYS  61  -7.699  -7.508   4.523
  257    HE3  LYS  61           HE3      LYS  61  -7.365  -5.787   4.652
  258    HZ1  LYS  61           HZ1      LYS  61 -10.047  -6.964   4.167
  259    HZ2  LYS  61           HZ2      LYS  61  -9.726  -5.351   4.443
  260    HZ3  LYS  61           HZ3      LYS  61  -9.494  -6.480   5.621
  261    H    MET  62           H        MET  62  -4.948  -5.429  -0.353
  262    HA   MET  62           HA       MET  62  -2.657  -4.763   1.384
  263    HB2  MET  62           HB2      MET  62  -1.413  -3.661  -0.358
  264    HB3  MET  62           HB3      MET  62  -1.704  -5.339  -0.827
  265    HG2  MET  62           HG2      MET  62  -3.545  -4.620  -2.311
  266    HG3  MET  62           HG3      MET  62  -3.237  -2.933  -1.871
  267    HE1  MET  62           HE1      MET  62  -3.372  -3.941  -4.873
  268    HE2  MET  62           HE2      MET  62  -1.981  -3.094  -5.573
  269    HE3  MET  62           HE3      MET  62  -3.036  -2.256  -4.412
  270    H    VAL  63           H        VAL  63  -2.468  -2.549   1.870
  271    HA   VAL  63           HA       VAL  63  -4.652  -0.722   1.062
  272    HB   VAL  63           HB       VAL  63  -5.380  -1.844   3.168
  273   HG11  VAL  63          HG11      VAL  63  -3.140  -0.500   4.632
  274   HG12  VAL  63          HG12      VAL  63  -2.954  -2.118   3.968
  275   HG13  VAL  63          HG13      VAL  63  -4.265  -1.829   5.109
  276   HG21  VAL  63          HG21      VAL  63  -4.643   1.075   3.662
  277   HG22  VAL  63          HG22      VAL  63  -5.873   0.112   4.504
  278   HG23  VAL  63          HG23      VAL  63  -6.087   0.512   2.796
  279    H    ILE  64           H        ILE  64  -4.062   1.393   1.017
  280    HA   ILE  64           HA       ILE  64  -1.107   1.910   1.060
  281    HB   ILE  64           HB       ILE  64  -3.118   2.877  -0.998
  282   HG12  ILE  64          HG12      ILE  64  -1.333   0.459  -1.437
  283   HG13  ILE  64          HG13      ILE  64  -3.035   0.319  -1.021
  284   HG21  ILE  64          HG21      ILE  64  -0.080   2.608  -1.090
  285   HG22  ILE  64          HG22      ILE  64  -0.968   4.118  -0.798
  286   HG23  ILE  64          HG23      ILE  64  -1.103   3.314  -2.357
  287   HD11  ILE  64          HD11      ILE  64  -3.687   1.587  -3.030
  288   HD12  ILE  64          HD12      ILE  64  -2.847   0.066  -3.374
  289   HD13  ILE  64          HD13      ILE  64  -1.985   1.602  -3.543
  290    H    LEU  65           H        LEU  65  -0.512   3.783   2.048
  291    HA   LEU  65           HA       LEU  65  -2.602   5.853   2.607
  292    HB2  LEU  65           HB2      LEU  65  -0.200   5.398   4.390
  293    HB3  LEU  65           HB3      LEU  65  -1.629   6.373   4.681
  294    HG   LEU  65           HG       LEU  65  -1.522   3.341   4.666
  295   HD11  LEU  65          HD11      LEU  65  -0.486   4.495   6.644
  296   HD12  LEU  65          HD12      LEU  65  -1.919   3.539   7.063
  297   HD13  LEU  65          HD13      LEU  65  -2.030   5.308   6.938
  298   HD21  LEU  65          HD21      LEU  65  -3.753   4.105   3.912
  299   HD22  LEU  65          HD22      LEU  65  -3.832   5.234   5.278
  300   HD23  LEU  65          HD23      LEU  65  -3.838   3.473   5.557
  301    H    THR  66           H        THR  66  -2.185   7.802   1.779
  302    HA   THR  66           HA       THR  66   0.558   8.323   0.679
  303    HB   THR  66           HB       THR  66  -0.456   9.536  -1.125
  304    HG1  THR  66           HG1      THR  66  -2.254  10.381  -0.165
  305   HG21  THR  66          HG21      THR  66  -0.261   7.076  -1.419
  306   HG22  THR  66          HG22      THR  66  -1.573   7.800  -2.366
  307   HG23  THR  66          HG23      THR  66  -1.951   6.901  -0.882
  308    H    GLU  67           H        GLU  67   1.001  10.706   0.261
  309    HA   GLU  67           HA       GLU  67   0.461  12.516   2.408
  310    HB2  GLU  67           HB2      GLU  67   0.579  13.368  -0.473
  311    HB3  GLU  67           HB3      GLU  67   1.073  14.284   0.931
  312    HG2  GLU  67           HG2      GLU  67   3.102  12.985   1.168
  313    HG3  GLU  67           HG3      GLU  67   2.579  11.821  -0.055
  314    H    ASN  68           H        ASN  68  -1.037  14.403   2.328
  315    HA   ASN  68           HA       ASN  68  -3.079  15.382   2.238
  316    HB2  ASN  68           HB2      ASN  68  -3.364  14.066  -0.490
  317    HB3  ASN  68           HB3      ASN  68  -4.261  15.451   0.081
  318   HD21  ASN  68          HD21      ASN  68  -1.653  14.584  -1.784
  319   HD22  ASN  68          HD22      ASN  68  -0.588  15.968  -1.533
  320    H    LYS  69           H        LYS  69  -2.791  12.911   3.549
  321    HA   LYS  69           HA       LYS  69  -3.806  11.102   4.465
  322    HB2  LYS  69           HB2      LYS  69  -6.029  13.155   4.527
  323    HB3  LYS  69           HB3      LYS  69  -6.049  11.649   5.450
  324    HG2  LYS  69           HG2      LYS  69  -4.137  12.259   6.750
  325    HG3  LYS  69           HG3      LYS  69  -3.773  13.644   5.728
  326    HD2  LYS  69           HD2      LYS  69  -4.811  14.372   7.822
  327    HD3  LYS  69           HD3      LYS  69  -5.842  14.776   6.442
  328    HE2  LYS  69           HE2      LYS  69  -7.139  12.659   6.874
  329    HE3  LYS  69           HE3      LYS  69  -6.153  12.420   8.327
  330    HZ1  LYS  69           HZ1      LYS  69  -7.018  14.562   9.131
  331    HZ2  LYS  69           HZ2      LYS  69  -8.231  13.480   8.887
  332    HZ3  LYS  69           HZ3      LYS  69  -7.987  14.703   7.821
  333    H    GLY  70           H        GLY  70  -3.900  10.881   1.573
  334    HA2  GLY  70           HA2      GLY  70  -6.360   9.581   0.833
  335    HA3  GLY  70           HA3      GLY  70  -4.795   9.311   0.077
  336    H    TYR  71           H        TYR  71  -7.057   7.567   1.002
  337    HA   TYR  71           HA       TYR  71  -5.417   5.362   2.112
  338    HB2  TYR  71           HB2      TYR  71  -6.624   6.322   4.013
  339    HB3  TYR  71           HB3      TYR  71  -8.145   6.212   3.150
  340    HD1  TYR  71           HD1      TYR  71  -8.952   3.795   2.453
  341    HD2  TYR  71           HD2      TYR  71  -6.030   4.571   5.560
  342    HE1  TYR  71           HE1      TYR  71  -9.484   1.620   3.531
  343    HE2  TYR  71           HE2      TYR  71  -6.637   2.465   6.647
  344    HH   TYR  71           HH       TYR  71  -8.108   0.772   6.711
  345    H    TYR  72           H        TYR  72  -5.667   3.614   0.871
  346    HA   TYR  72           HA       TYR  72  -8.073   3.190  -0.843
  347    HB2  TYR  72           HB2      TYR  72  -5.194   3.106  -1.836
  348    HB3  TYR  72           HB3      TYR  72  -6.625   2.738  -2.770
  349    HD1  TYR  72           HD1      TYR  72  -4.685   5.470  -1.138
  350    HD2  TYR  72           HD2      TYR  72  -7.889   4.477  -3.850
  351    HE1  TYR  72           HE1      TYR  72  -4.781   7.844  -1.898
  352    HE2  TYR  72           HE2      TYR  72  -7.961   6.839  -4.633
  353    HH   TYR  72           HH       TYR  72  -6.995   8.892  -4.502
  354    H    THR  73           H        THR  73  -8.437   0.941  -1.289
  355    HA   THR  73           HA       THR  73  -6.553  -1.019  -0.095
  356    HB   THR  73           HB       THR  73  -7.884  -0.319   1.767
  357    HG1  THR  73           HG1      THR  73  -8.162  -2.193   2.471
  358   HG21  THR  73          HG21      THR  73 -10.357  -1.275   0.292
  359   HG22  THR  73          HG22      THR  73  -9.981   0.406   0.734
  360   HG23  THR  73          HG23      THR  73 -10.259  -0.799   1.998
  361    H    VAL  74           H        VAL  74  -6.530  -2.981  -0.997
  362    HA   VAL  74           HA       VAL  74  -8.463  -3.622  -3.187
  363    HB   VAL  74           HB       VAL  74  -5.438  -3.484  -3.548
  364   HG11  VAL  74          HG11      VAL  74  -7.679  -4.108  -5.526
  365   HG12  VAL  74          HG12      VAL  74  -6.446  -5.247  -4.933
  366   HG13  VAL  74          HG13      VAL  74  -5.968  -3.887  -5.943
  367   HG21  VAL  74          HG21      VAL  74  -6.295  -1.199  -3.539
  368   HG22  VAL  74          HG22      VAL  74  -7.582  -1.648  -4.683
  369   HG23  VAL  74          HG23      VAL  74  -5.877  -1.676  -5.182
  370    H    TYR  75           H        TYR  75  -9.138  -5.644  -2.811
  371    HA   TYR  75           HA       TYR  75  -7.491  -7.764  -1.637
  372    HB2  TYR  75           HB2      TYR  75 -10.144  -7.743  -3.092
  373    HB3  TYR  75           HB3      TYR  75  -9.316  -9.226  -2.652
  374    HD1  TYR  75           HD1      TYR  75  -9.097  -9.967  -0.338
  375    HD2  TYR  75           HD2      TYR  75 -11.098  -6.271  -1.309
  376    HE1  TYR  75           HE1      TYR  75 -10.026  -9.863   1.969
  377    HE2  TYR  75           HE2      TYR  75 -12.008  -6.155   0.990
  378    HH   TYR  75           HH       TYR  75 -11.174  -8.613   3.481
  379    H    LEU  76           H        LEU  76  -5.921  -8.717  -2.605
  380    HA   LEU  76           HA       LEU  76  -5.156  -8.305  -5.383
  381    HB2  LEU  76           HB2      LEU  76  -4.144 -10.089  -3.123
  382    HB3  LEU  76           HB3      LEU  76  -3.324  -9.927  -4.666
  383    HG   LEU  76           HG       LEU  76  -3.866  -7.507  -2.885
  384   HD11  LEU  76          HD11      LEU  76  -1.420  -9.296  -2.935
  385   HD12  LEU  76          HD12      LEU  76  -2.567  -9.114  -1.588
  386   HD13  LEU  76          HD13      LEU  76  -1.567  -7.737  -2.081
  387   HD21  LEU  76          HD21      LEU  76  -3.302  -6.972  -5.214
  388   HD22  LEU  76          HD22      LEU  76  -1.879  -8.041  -5.137
  389   HD23  LEU  76          HD23      LEU  76  -1.951  -6.566  -4.154
  390    H    ASN  77           H        ASN  77  -7.068 -10.632  -3.694
  391    HA   ASN  77           HA       ASN  77  -6.757 -12.934  -5.295
  392    HB2  ASN  77           HB2      ASN  77  -9.098 -11.935  -3.617
  393    HB3  ASN  77           HB3      ASN  77  -8.998 -13.552  -4.301
  394   HD21  ASN  77          HD21      ASN  77  -9.361 -13.270  -1.644
  395   HD22  ASN  77          HD22      ASN  77  -7.916 -13.870  -0.843
  396    H    THR  78           H        THR  78  -8.500  -9.999  -6.188
  397    HA   THR  78           HA       THR  78  -9.793 -11.436  -8.445
  398    HB   THR  78           HB       THR  78 -11.910 -10.318  -8.059
  399    HG1  THR  78           HG1      THR  78 -11.654  -8.560  -6.949
  400   HG21  THR  78          HG21      THR  78 -11.096 -11.643  -5.438
  401   HG22  THR  78          HG22      THR  78 -11.519 -12.540  -6.914
  402   HG23  THR  78          HG23      THR  78 -12.721 -11.498  -6.130
  403    HA   PRO  79           HA       PRO  79  -8.136  -8.049 -10.736
  404    HB2  PRO  79           HB2      PRO  79 -10.503  -8.352 -12.575
  405    HB3  PRO  79           HB3      PRO  79  -8.759  -8.254 -12.975
  406    HG2  PRO  79           HG2      PRO  79 -10.018 -10.641 -12.971
  407    HG3  PRO  79           HG3      PRO  79  -8.394 -10.497 -12.217
  408    HD2  PRO  79           HD2      PRO  79 -11.076 -10.509 -10.832
  409    HD3  PRO  79           HD3      PRO  79  -9.572 -11.404 -10.447
  410    H    LEU  80           H        LEU  80  -8.217  -5.823 -10.431
  411    HA   LEU  80           HA       LEU  80 -10.765  -4.579  -9.670
  412    HB2  LEU  80           HB2      LEU  80  -9.658  -2.691  -9.090
  413    HB3  LEU  80           HB3      LEU  80  -8.532  -3.955  -8.651
  414    HG   LEU  80           HG       LEU  80  -8.355  -2.116 -11.082
  415   HD11  LEU  80          HD11      LEU  80  -6.457  -1.109  -9.904
  416   HD12  LEU  80          HD12      LEU  80  -6.690  -2.212  -8.534
  417   HD13  LEU  80          HD13      LEU  80  -7.920  -0.991  -8.916
  418   HD21  LEU  80          HD21      LEU  80  -6.047  -3.009 -11.325
  419   HD22  LEU  80          HD22      LEU  80  -7.260  -4.268 -11.576
  420   HD23  LEU  80          HD23      LEU  80  -6.378  -4.177 -10.030
  421    H    ALA  81           H        ALA  81 -12.113  -3.375 -10.881
  422    HA   ALA  81           HA       ALA  81 -11.994  -3.588 -13.758
  423    HB1  ALA  81           HB1      ALA  81 -13.827  -1.965 -11.955
  424    HB2  ALA  81           HB2      ALA  81 -14.057  -3.684 -12.357
  425    HB3  ALA  81           HB3      ALA  81 -14.155  -2.459 -13.631
  426    H    GLU  82           H        GLU  82 -12.383  -1.719 -15.236
  427    HA   GLU  82           HA       GLU  82 -10.276   0.084 -15.433
  428    HB2  GLU  82           HB2      GLU  82 -13.122   0.304 -16.454
  429    HB3  GLU  82           HB3      GLU  82 -11.874   1.486 -16.862
  430    HG2  GLU  82           HG2      GLU  82 -10.470  -0.292 -17.840
  431    HG3  GLU  82           HG3      GLU  82 -11.742  -1.471 -17.504
  432    H    ASP  83           H        ASP  83 -13.392   0.783 -13.754
  433    HA   ASP  83           HA       ASP  83 -12.767   3.599 -13.477
  434    HB2  ASP  83           HB2      ASP  83 -14.779   1.804 -12.097
  435    HB3  ASP  83           HB3      ASP  83 -14.661   3.538 -11.784
  436    H    ARG  84           H        ARG  84 -11.751   0.823 -11.710
  437    HA   ARG  84           HA       ARG  84 -10.737   2.398  -9.374
  438    HB2  ARG  84           HB2      ARG  84 -10.566  -0.564 -10.081
  439    HB3  ARG  84           HB3      ARG  84  -9.952   0.194  -8.616
  440    HG2  ARG  84           HG2      ARG  84 -12.212   0.797  -7.893
  441    HG3  ARG  84           HG3      ARG  84 -12.891   0.195  -9.414
  442    HD2  ARG  84           HD2      ARG  84 -13.231  -1.523  -7.792
  443    HD3  ARG  84           HD3      ARG  84 -11.973  -2.061  -8.908
  444    HE   ARG  84           HE       ARG  84 -11.012  -0.767  -6.436
  445   HH11  ARG  84          HH11      ARG  84 -12.048  -3.905  -7.691
  446   HH12  ARG  84          HH12      ARG  84 -11.015  -4.744  -6.537
  447   HH21  ARG  84          HH21      ARG  84 -10.016  -1.848  -4.953
  448   HH22  ARG  84          HH22      ARG  84 -10.237  -3.593  -4.798
  449    H    LYS  85           H        LYS  85  -9.598   0.711 -12.317
  450    HA   LYS  85           HA       LYS  85  -6.774   1.134 -11.887
  451    HB2  LYS  85           HB2      LYS  85  -8.429   0.903 -14.430
  452    HB3  LYS  85           HB3      LYS  85  -6.672   1.046 -14.414
  453    HG2  LYS  85           HG2      LYS  85  -6.510  -1.045 -13.061
  454    HG3  LYS  85           HG3      LYS  85  -8.277  -1.240 -13.193
  455    HD2  LYS  85           HD2      LYS  85  -8.128  -1.300 -15.636
  456    HD3  LYS  85           HD3      LYS  85  -6.384  -0.974 -15.554
  457    HE2  LYS  85           HE2      LYS  85  -5.972  -3.111 -14.465
  458    HE3  LYS  85           HE3      LYS  85  -7.708  -3.475 -14.430
  459    HZ1  LYS  85           HZ1      LYS  85  -6.439  -4.458 -16.356
  460    HZ2  LYS  85           HZ2      LYS  85  -6.238  -2.937 -16.949
  461    HZ3  LYS  85           HZ3      LYS  85  -7.744  -3.549 -16.801
  462    H    ASN  86           H        ASN  86  -9.323   3.230 -12.982
  463    HA   ASN  86           HA       ASN  86  -7.423   5.422 -13.618
  464    HB2  ASN  86           HB2      ASN  86 -10.336   4.914 -14.347
  465    HB3  ASN  86           HB3      ASN  86  -9.386   6.284 -14.878
  466   HD21  ASN  86          HD21      ASN  86 -10.372   5.261 -16.893
  467   HD22  ASN  86          HD22      ASN  86  -9.351   4.090 -17.742
  468    H    VAL  87           H        VAL  87  -8.874   4.638 -10.771
  469    HA   VAL  87           HA       VAL  87 -10.224   7.165 -10.200
  470    HB   VAL  87           HB       VAL  87 -10.701   4.904  -9.126
  471   HG11  VAL  87          HG11      VAL  87  -9.565   4.300  -7.115
  472   HG12  VAL  87          HG12      VAL  87  -8.436   5.673  -7.265
  473   HG13  VAL  87          HG13      VAL  87  -8.412   4.349  -8.452
  474   HG21  VAL  87          HG21      VAL  87 -11.463   5.921  -7.057
  475   HG22  VAL  87          HG22      VAL  87 -11.717   7.047  -8.397
  476   HG23  VAL  87          HG23      VAL  87 -10.360   7.294  -7.271
  477    H    GLU  88           H        GLU  88  -9.449   8.900  -8.898
  478    HA   GLU  88           HA       GLU  88  -6.770   9.469  -9.585
  479    HB2  GLU  88           HB2      GLU  88  -8.755  10.971  -9.771
  480    HB3  GLU  88           HB3      GLU  88  -8.784  11.104  -8.000
  481    HG2  GLU  88           HG2      GLU  88  -6.511  11.963  -8.035
  482    HG3  GLU  88           HG3      GLU  88  -6.440  11.849  -9.802
  483    H    LEU  89           H        LEU  89  -4.963   9.634  -8.429
  484    HA   LEU  89           HA       LEU  89  -4.833   8.776  -5.615
  485    HB2  LEU  89           HB2      LEU  89  -2.719   9.606  -7.620
  486    HB3  LEU  89           HB3      LEU  89  -2.356   9.130  -5.973
  487    HG   LEU  89           HG       LEU  89  -3.757   7.333  -7.998
  488   HD11  LEU  89          HD11      LEU  89  -1.624   6.140  -8.161
  489   HD12  LEU  89          HD12      LEU  89  -0.865   7.321  -7.070
  490   HD13  LEU  89          HD13      LEU  89  -1.451   7.822  -8.673
  491   HD21  LEU  89          HD21      LEU  89  -4.256   6.653  -5.673
  492   HD22  LEU  89          HD22      LEU  89  -2.536   6.800  -5.235
  493   HD23  LEU  89          HD23      LEU  89  -3.072   5.531  -6.347
  494    H    LEU  90           H        LEU  90  -4.859  10.064  -3.926
  495    HA   LEU  90           HA       LEU  90  -4.967  12.937  -4.056
  496    HB2  LEU  90           HB2      LEU  90  -5.026  10.796  -1.933
  497    HB3  LEU  90           HB3      LEU  90  -4.706  12.436  -1.412
  498    HG   LEU  90           HG       LEU  90  -7.131  11.749  -3.114
  499   HD11  LEU  90          HD11      LEU  90  -6.848  11.916  -0.082
  500   HD12  LEU  90          HD12      LEU  90  -7.300  10.486  -1.050
  501   HD13  LEU  90          HD13      LEU  90  -8.392  11.873  -0.955
  502   HD21  LEU  90          HD21      LEU  90  -6.485  14.119  -1.292
  503   HD22  LEU  90          HD22      LEU  90  -7.990  13.881  -2.203
  504   HD23  LEU  90          HD23      LEU  90  -6.479  14.162  -3.068
  505    H    GLY  91           H        GLY  91  -2.251  10.753  -3.356
  506    HA2  GLY  91           HA2      GLY  91  -0.339  12.973  -3.403
  507    HA3  GLY  91           HA3      GLY  91  -0.624  12.272  -1.814
  508    H    LYS  92           H        LYS  92   1.865  12.156  -2.491
  509    HA   LYS  92           HA       LYS  92   2.687   9.884  -4.034
  510    HB2  LYS  92           HB2      LYS  92   3.968  12.079  -3.146
  511    HB3  LYS  92           HB3      LYS  92   4.403  11.012  -1.834
  512    HG2  LYS  92           HG2      LYS  92   6.147  10.708  -3.320
  513    HG3  LYS  92           HG3      LYS  92   5.090   9.380  -3.838
  514    HD2  LYS  92           HD2      LYS  92   4.197  10.903  -5.644
  515    HD3  LYS  92           HD3      LYS  92   5.345  12.133  -5.088
  516    HE2  LYS  92           HE2      LYS  92   6.999   9.953  -5.387
  517    HE3  LYS  92           HE3      LYS  92   5.823   9.644  -6.669
  518    HZ1  LYS  92           HZ1      LYS  92   7.718  11.013  -7.400
  519    HZ2  LYS  92           HZ2      LYS  92   7.332  12.165  -6.285
  520    HZ3  LYS  92           HZ3      LYS  92   6.320  11.861  -7.553
  521    H    MET  93           H        MET  93   3.867   8.019  -3.299
  522    HA   MET  93           HA       MET  93   2.166   6.388  -1.646
  523    HB2  MET  93           HB2      MET  93   3.246   5.792  -3.881
  524    HB3  MET  93           HB3      MET  93   4.769   5.614  -3.031
  525    HG2  MET  93           HG2      MET  93   3.597   3.862  -1.560
  526    HG3  MET  93           HG3      MET  93   2.193   4.044  -2.604
  527    HE1  MET  93           HE1      MET  93   6.166   1.887  -3.547
  528    HE2  MET  93           HE2      MET  93   5.495   2.249  -1.943
  529    HE3  MET  93           HE3      MET  93   6.148   3.561  -2.950
  530    H    TYR  94           H        TYR  94   2.893   7.854   0.358
  531    HA   TYR  94           HA       TYR  94   5.361   7.465   1.590
  532    HB2  TYR  94           HB2      TYR  94   3.770   9.154   2.300
  533    HB3  TYR  94           HB3      TYR  94   2.629   7.935   2.801
  534    HD1  TYR  94           HD1      TYR  94   6.342   8.116   3.494
  535    HD2  TYR  94           HD2      TYR  94   2.337   8.274   5.100
  536    HE1  TYR  94           HE1      TYR  94   7.263   8.169   5.793
  537    HE2  TYR  94           HE2      TYR  94   3.266   8.334   7.402
  538    HH   TYR  94           HH       TYR  94   6.789   8.102   8.009
  539    H    LYS  95           H        LYS  95   2.462   5.353   2.121
  540    HA   LYS  95           HA       LYS  95   4.279   3.154   2.982
  541    HB2  LYS  95           HB2      LYS  95   1.923   4.158   4.639
  542    HB3  LYS  95           HB3      LYS  95   2.811   2.674   4.959
  543    HG2  LYS  95           HG2      LYS  95   3.994   5.465   5.135
  544    HG3  LYS  95           HG3      LYS  95   3.353   4.537   6.483
  545    HD2  LYS  95           HD2      LYS  95   5.100   2.929   6.409
  546    HD3  LYS  95           HD3      LYS  95   5.557   3.378   4.772
  547    HE2  LYS  95           HE2      LYS  95   7.256   4.280   6.123
  548    HE3  LYS  95           HE3      LYS  95   6.256   5.643   5.610
  549    HZ1  LYS  95           HZ1      LYS  95   6.176   4.303   8.266
  550    HZ2  LYS  95           HZ2      LYS  95   5.170   5.520   7.848
  551    HZ3  LYS  95           HZ3      LYS  95   6.788   5.789   7.964
  552    H    THR  96           H        THR  96   3.507   1.108   2.711
  553    HA   THR  96           HA       THR  96   0.637   0.682   2.056
  554    HB   THR  96           HB       THR  96   2.894  -0.736   0.586
  555    HG1  THR  96           HG1      THR  96   2.520   1.451   0.033
  556   HG21  THR  96          HG21      THR  96   1.113  -1.586  -0.865
  557   HG22  THR  96          HG22      THR  96  -0.121  -0.742   0.091
  558   HG23  THR  96          HG23      THR  96   0.785  -2.100   0.780
  559    H    TYR  97           H        TYR  97  -0.167  -1.148   2.830
  560    HA   TYR  97           HA       TYR  97   1.497  -2.932   4.586
  561    HB2  TYR  97           HB2      TYR  97  -1.271  -1.899   5.273
  562    HB3  TYR  97           HB3      TYR  97  -0.265  -2.910   6.254
  563    HD1  TYR  97           HD1      TYR  97  -0.678   0.524   4.846
  564    HD2  TYR  97           HD2      TYR  97   1.391  -1.949   7.705
  565    HE1  TYR  97           HE1      TYR  97   0.332   2.540   5.881
  566    HE2  TYR  97           HE2      TYR  97   2.423   0.066   8.698
  567    HH   TYR  97           HH       TYR  97   2.600   2.395   8.640
  568    H    PHE  98           H        PHE  98   0.862  -5.080   4.687
  569    HA   PHE  98           HA       PHE  98  -1.234  -6.016   2.750
  570    HB2  PHE  98           HB2      PHE  98   1.634  -6.917   3.085
  571    HB3  PHE  98           HB3      PHE  98   0.460  -7.724   2.073
  572    HD1  PHE  98           HD1      PHE  98   2.509  -4.620   2.420
  573    HD2  PHE  98           HD2      PHE  98  -0.025  -6.988  -0.133
  574    HE1  PHE  98           HE1      PHE  98   3.261  -3.308   0.447
  575    HE2  PHE  98           HE2      PHE  98   0.752  -5.689  -2.107
  576    HZ   PHE  98           HZ       PHE  98   2.409  -3.868  -1.820
  577    H    PHE  99           H        PHE  99  -2.133  -8.016   3.080
  578    HA   PHE  99           HA       PHE  99  -1.834  -9.232   5.810
  579    HB2  PHE  99           HB2      PHE  99  -4.445  -8.662   4.364
  580    HB3  PHE  99           HB3      PHE  99  -4.240  -9.178   6.021
  581    HD1  PHE  99           HD1      PHE  99  -3.842  -6.366   3.658
  582    HD2  PHE  99           HD2      PHE  99  -3.864  -7.522   7.805
  583    HE1  PHE  99           HE1      PHE  99  -3.792  -4.016   4.299
  584    HE2  PHE  99           HE2      PHE  99  -3.836  -5.124   8.455
  585    HZ   PHE  99           HZ       PHE  99  -3.703  -3.362   6.718
  586    H    LYS 100           H        LYS 100  -2.020 -11.412   5.930
  587    HA   LYS 100           HA       LYS 100  -2.197 -12.998   3.465
  588    HB2  LYS 100           HB2      LYS 100  -1.957 -13.926   6.341
  589    HB3  LYS 100           HB3      LYS 100  -1.945 -14.954   4.911
  590    HG2  LYS 100           HG2      LYS 100   0.248 -14.800   5.077
  591    HG3  LYS 100           HG3      LYS 100   0.006 -13.358   4.100
  592    HD2  LYS 100           HD2      LYS 100   0.479 -11.906   5.861
  593    HD3  LYS 100           HD3      LYS 100   0.022 -13.080   7.100
  594    HE2  LYS 100           HE2      LYS 100   2.419 -13.591   5.337
  595    HE3  LYS 100           HE3      LYS 100   2.533 -12.585   6.798
  596    HZ1  LYS 100           HZ1      LYS 100   1.744 -14.361   8.117
  597    HZ2  LYS 100           HZ2      LYS 100   3.018 -14.913   7.268
  598    HZ3  LYS 100           HZ3      LYS 100   1.474 -15.356   6.826
  599    H    LYS 101           H        LYS 101  -3.494 -14.858   3.300
  600    HA   LYS 101           HA       LYS 101  -6.280 -14.439   3.057
  601    HB2  LYS 101           HB2      LYS 101  -4.548 -16.924   3.018
  602    HB3  LYS 101           HB3      LYS 101  -6.269 -16.950   2.610
  603    HG2  LYS 101           HG2      LYS 101  -5.947 -15.466   0.736
  604    HG3  LYS 101           HG3      LYS 101  -4.270 -15.155   1.178
  605    HD2  LYS 101           HD2      LYS 101  -3.730 -17.556   0.750
  606    HD3  LYS 101           HD3      LYS 101  -5.403 -17.805   0.196
  607    HE2  LYS 101           HE2      LYS 101  -5.052 -16.035  -1.547
  608    HE3  LYS 101           HE3      LYS 101  -3.402 -15.806  -0.952
  609    HZ1  LYS 101           HZ1      LYS 101  -4.444 -18.212  -2.343
  610    HZ2  LYS 101           HZ2      LYS 101  -3.007 -18.194  -1.517
  611    HZ3  LYS 101           HZ3      LYS 101  -3.219 -17.229  -2.794
  612    H    GLY 102           H        GLY 102  -6.647 -13.537   5.235
  613    HA2  GLY 102           HA2      GLY 102  -8.452 -14.498   6.845
  614    HA3  GLY 102           HA3      GLY 102  -7.157 -15.568   7.377
  615    H    GLU 103           H        GLU 103  -5.887 -12.397   6.701
  616    HA   GLU 103           HA       GLU 103  -5.739 -11.883   9.649
  617    HB2  GLU 103           HB2      GLU 103  -4.111 -10.971   7.266
  618    HB3  GLU 103           HB3      GLU 103  -3.932 -10.253   8.870
  619    HG2  GLU 103           HG2      GLU 103  -3.401 -12.522   9.783
  620    HG3  GLU 103           HG3      GLU 103  -3.398 -13.142   8.124
  621    H    SER 104           H        SER 104  -5.961  -9.861  10.568
  622    HA   SER 104           HA       SER 104  -6.825  -7.564   8.905
  623    HB2  SER 104           HB2      SER 104  -8.269  -8.306  11.462
  624    HB3  SER 104           HB3      SER 104  -8.524  -6.848  10.506
  625    HG   SER 104           HG       SER 104 -10.059  -8.533  10.116
  626    H    LYS 105           H        LYS 105  -4.320  -8.437  10.399
  627    HA   LYS 105           HA       LYS 105  -3.624  -5.639  10.825
  628    HB2  LYS 105           HB2      LYS 105  -4.078  -6.357  13.133
  629    HB3  LYS 105           HB3      LYS 105  -2.914  -7.687  12.957
  630    HG2  LYS 105           HG2      LYS 105  -1.074  -6.198  12.869
  631    HG3  LYS 105           HG3      LYS 105  -2.076  -4.792  12.559
  632    HD2  LYS 105           HD2      LYS 105  -1.265  -4.744  14.868
  633    HD3  LYS 105           HD3      LYS 105  -3.020  -4.902  14.832
  634    HE2  LYS 105           HE2      LYS 105  -2.869  -7.287  15.219
  635    HE3  LYS 105           HE3      LYS 105  -1.094  -7.223  15.116
  636    HZ1  LYS 105           HZ1      LYS 105  -1.903  -7.272  17.436
  637    HZ2  LYS 105           HZ2      LYS 105  -2.731  -5.874  17.208
  638    HZ3  LYS 105           HZ3      LYS 105  -1.103  -5.851  17.138
  639    H    SER 106           H        SER 106  -1.824  -5.261   9.689
  640    HA   SER 106           HA       SER 106  -1.019  -7.287   7.858
  641    HB2  SER 106           HB2      SER 106   0.521  -5.637   6.930
  642    HB3  SER 106           HB3      SER 106  -1.035  -4.898   7.319
  643    HG   SER 106           HG       SER 106   1.472  -4.671   8.631
  644    H    SER 107           H        SER 107   1.015  -8.257   7.388
  645    HA   SER 107           HA       SER 107   3.137  -8.088   9.506
  646    HB2  SER 107           HB2      SER 107   1.779 -10.324   9.439
  647    HB3  SER 107           HB3      SER 107   2.706 -10.649   7.979
  648    HG   SER 107           HG       SER 107   3.780  -9.980  10.564
  649    H    TYR 108           H        TYR 108   2.439  -7.390   6.367
  650    HA   TYR 108           HA       TYR 108   5.315  -7.216   5.684
  651    HB2  TYR 108           HB2      TYR 108   4.576  -9.170   4.496
  652    HB3  TYR 108           HB3      TYR 108   3.167  -8.332   3.872
  653    HD1  TYR 108           HD1      TYR 108   6.907  -8.201   3.834
  654    HD2  TYR 108           HD2      TYR 108   3.283  -7.450   1.673
  655    HE1  TYR 108           HE1      TYR 108   8.237  -7.716   1.759
  656    HE2  TYR 108           HE2      TYR 108   4.583  -6.887  -0.349
  657    HH   TYR 108           HH       TYR 108   6.688  -6.929  -1.351
  658    H    VAL 109           H        VAL 109   5.866  -5.425   4.658
  659    HA   VAL 109           HA       VAL 109   3.919  -3.276   4.051
  660    HB   VAL 109           HB       VAL 109   5.475  -1.774   5.554
  661   HG11  VAL 109          HG11      VAL 109   3.173  -2.002   6.002
  662   HG12  VAL 109          HG12      VAL 109   4.093  -2.111   7.523
  663   HG13  VAL 109          HG13      VAL 109   3.411  -3.590   6.779
  664   HG21  VAL 109          HG21      VAL 109   6.450  -2.748   7.453
  665   HG22  VAL 109          HG22      VAL 109   6.981  -3.745   6.072
  666   HG23  VAL 109          HG23      VAL 109   5.716  -4.351   7.139
  667    H    ILE 110           H        ILE 110   4.822  -1.488   3.045
  668    HA   ILE 110           HA       ILE 110   7.666  -1.564   2.216
  669    HB   ILE 110           HB       ILE 110   5.405  -1.364   0.215
  670   HG12  ILE 110          HG12      ILE 110   7.113  -3.746   0.940
  671   HG13  ILE 110          HG13      ILE 110   5.377  -3.680   1.015
  672   HG21  ILE 110          HG21      ILE 110   8.408  -1.788  -0.200
  673   HG22  ILE 110          HG22      ILE 110   7.576  -0.218  -0.372
  674   HG23  ILE 110          HG23      ILE 110   7.185  -1.529  -1.467
  675   HD11  ILE 110          HD11      ILE 110   5.771  -4.948  -0.843
  676   HD12  ILE 110          HD12      ILE 110   7.093  -3.919  -1.401
  677   HD13  ILE 110          HD13      ILE 110   5.387  -3.346  -1.490
  678    H    ASN 111           H        ASN 111   8.459   0.469   2.183
  679    HA   ASN 111           HA       ASN 111   6.526   2.682   2.725
  680    HB2  ASN 111           HB2      ASN 111   9.487   2.496   3.341
  681    HB3  ASN 111           HB3      ASN 111   8.358   3.724   3.909
  682   HD21  ASN 111          HD21      ASN 111  10.027   2.257   5.667
  683   HD22  ASN 111          HD22      ASN 111   8.954   1.257   6.663
  684    H    GLY 112           H        GLY 112   7.250   4.870   1.860
  685    HA2  GLY 112           HA2      GLY 112   9.032   4.900  -0.455
  686    HA3  GLY 112           HA3      GLY 112   7.321   4.890  -0.878
  687    HA   PRO 113           HA       PRO 113   8.920   9.208  -0.208
  688    HB2  PRO 113           HB2      PRO 113   8.208  10.341  -2.577
  689    HB3  PRO 113           HB3      PRO 113   9.684   9.360  -2.374
  690    HG2  PRO 113           HG2      PRO 113   7.004   8.418  -3.442
  691    HG3  PRO 113           HG3      PRO 113   8.611   8.189  -4.167
  692    HD2  PRO 113           HD2      PRO 113   7.362   6.309  -2.609
  693    HD3  PRO 113           HD3      PRO 113   9.135   6.507  -2.574
  694    H    GLY 114           H        GLY 114   7.746  10.666   0.765
  695    HA2  GLY 114           HA2      GLY 114   5.474  11.960   0.312
  696    HA3  GLY 114           HA3      GLY 114   4.812  10.485   1.005
  697    H    LYS 115           H        LYS 115   7.265  10.280   2.825
  698    HA   LYS 115           HA       LYS 115   7.874  10.664   4.904
  699    HB2  LYS 115           HB2      LYS 115   8.819  12.620   3.676
  700    HB3  LYS 115           HB3      LYS 115   7.490  13.610   4.294
  701    HG2  LYS 115           HG2      LYS 115   8.222  13.227   6.593
  702    HG3  LYS 115           HG3      LYS 115   9.442  12.058   6.055
  703    HD2  LYS 115           HD2      LYS 115  10.685  13.838   4.911
  704    HD3  LYS 115           HD3      LYS 115   9.429  15.021   5.342
  705    HE2  LYS 115           HE2      LYS 115   9.843  14.594   7.753
  706    HE3  LYS 115           HE3      LYS 115  11.078  13.399   7.336
  707    HZ1  LYS 115           HZ1      LYS 115  12.401  15.139   6.350
  708    HZ2  LYS 115           HZ2      LYS 115  12.036  15.590   7.877
  709    HZ3  LYS 115           HZ3      LYS 115  11.236  16.276   6.614
  710    H    THR 116           H        THR 116   4.651  11.937   4.347
  711    HA   THR 116           HA       THR 116   3.759  11.001   6.938
  712    HB   THR 116           HB       THR 116   4.632  13.137   7.695
  713    HG1  THR 116           HG1      THR 116   2.832  13.859   8.614
  714   HG21  THR 116          HG21      THR 116   3.720  15.289   6.851
  715   HG22  THR 116          HG22      THR 116   2.926  14.425   5.520
  716   HG23  THR 116          HG23      THR 116   4.696  14.455   5.633
  717    H    ASN 117           H        ASN 117   1.330  11.203   7.065
  718    HA   ASN 117           HA       ASN 117   0.084  11.272   4.395
  719    HB2  ASN 117           HB2      ASN 117  -1.048  10.756   7.182
  720    HB3  ASN 117           HB3      ASN 117  -1.943  10.642   5.669
  721   HD21  ASN 117          HD21      ASN 117  -0.533   9.251   3.952
  722   HD22  ASN 117          HD22      ASN 117   0.121   7.753   4.628
  723    H    GLU 118           H        GLU 118   0.671  13.530   6.995
  724    HA   GLU 118           HA       GLU 118  -1.601  15.282   6.447
  725    HB2  GLU 118           HB2      GLU 118   0.989  15.771   7.970
  726    HB3  GLU 118           HB3      GLU 118  -0.428  16.829   7.971
  727    HG2  GLU 118           HG2      GLU 118  -1.773  15.013   8.999
  728    HG3  GLU 118           HG3      GLU 118  -0.338  13.977   9.046
  729    H    TYR 119           H        TYR 119  -1.716  16.284   4.490
  730    HA   TYR 119           HA       TYR 119  -0.329  16.911   2.479
  731    HB2  TYR 119           HB2      TYR 119  -1.417  18.962   2.084
  732    HB3  TYR 119           HB3      TYR 119  -2.496  17.820   2.833
  733    HD1  TYR 119           HD1      TYR 119  -2.630  18.118   5.578
  734    HD2  TYR 119           HD2      TYR 119  -1.676  21.174   2.713
  735    HE1  TYR 119           HE1      TYR 119  -3.503  19.828   7.133
  736    HE2  TYR 119           HE2      TYR 119  -2.517  22.913   4.301
  737    HH   TYR 119           HH       TYR 119  -3.736  22.033   7.570
  738    H    ALA 120           H        ALA 120   1.808  16.908   2.341
  739    HA   ALA 120           HA       ALA 120   3.639  18.568   3.742
  740    HB1  ALA 120           HB1      ALA 120   4.193  16.380   2.788
  741    HB2  ALA 120           HB2      ALA 120   5.242  17.634   2.105
  742    HB3  ALA 120           HB3      ALA 120   3.893  16.993   1.146
  743    H    TYR 121           H        TYR 121   2.815  20.696   3.565
  744    HA   TYR 121           HA       TYR 121   3.263  22.107   0.966
  745    HB2  TYR 121           HB2      TYR 121   0.915  21.431   1.385
  746    HB3  TYR 121           HB3      TYR 121   0.932  22.306   2.899
  747    HD1  TYR 121           HD1      TYR 121   2.613  24.060   0.102
  748    HD2  TYR 121           HD2      TYR 121  -1.159  23.269   2.035
  749    HE1  TYR 121           HE1      TYR 121   1.607  26.029  -1.033
  750    HE2  TYR 121           HE2      TYR 121  -2.169  25.191   0.873
  751    HH   TYR 121           HH       TYR 121  -1.878  26.815  -0.643
  752    H1   ACE   6           H1       ACE   6  21.521  -2.965  -7.001
  753    H2   ACE   6           H2       ACE   6  22.694  -2.040  -7.975
  754    H3   ACE   6           H3       ACE   6  22.649  -3.810  -8.064
  755    H    THR   7           H        THR   7  19.423  -1.951  -9.851
  756    HA   THR   7           HA       THR   7  20.175  -1.144  -7.133
  757    HB   THR   7           HB       THR   7  21.880   0.018  -8.393
  758    HG1  THR   7           HG1      THR   7  21.583   1.544  -7.173
  759   HG21  THR   7          HG21      THR   7  19.721   1.395 -10.027
  760   HG22  THR   7          HG22      THR   7  20.889   0.199 -10.633
  761   HG23  THR   7          HG23      THR   7  21.455   1.757 -10.018
  762    H    THR   8           H        THR   8  18.350  -0.442  -6.091
  763    HA   THR   8           HA       THR   8  16.256   0.947  -7.543
  764    HB   THR   8           HB       THR   8  15.707  -1.360  -8.143
  765    HG1  THR   8           HG1      THR   8  13.785  -0.470  -6.283
  766   HG21  THR   8          HG21      THR   8  16.496  -2.490  -6.041
  767   HG22  THR   8          HG22      THR   8  15.066  -1.826  -5.217
  768   HG23  THR   8          HG23      THR   8  14.867  -2.960  -6.568
  769    HA   PRO   9           HA       PRO   9  15.076   2.379  -3.308
  770    HB2  PRO   9           HB2      PRO   9  12.440   2.485  -4.780
  771    HB3  PRO   9           HB3      PRO   9  13.164   3.717  -3.694
  772    HG2  PRO   9           HG2      PRO   9  13.158   4.063  -6.378
  773    HG3  PRO   9           HG3      PRO   9  14.633   4.454  -5.424
  774    HD2  PRO   9           HD2      PRO   9  14.051   1.936  -7.006
  775    HD3  PRO   9           HD3      PRO   9  15.533   2.947  -6.982
  776    H    ASP  10           H        ASP  10  14.064   1.186  -1.663
  777    HA   ASP  10           HA       ASP  10  13.092  -0.596  -0.580
  778    HB2  ASP  10           HB2      ASP  10  10.916   0.417  -2.397
  779    HB3  ASP  10           HB3      ASP  10  10.700  -0.388  -0.832
  780    H2   TYS  11           H2       TYS  11  10.932  -1.991  -1.685
  781    HA   TYS  11           HA       TYS  11  10.293  -3.890  -2.793
  782    HB2  TYS  11           HB2      TYS  11  13.055  -4.383  -3.791
  783    HB3  TYS  11           HB3      TYS  11  11.798  -5.597  -3.775
  784    HD1  TYS  11           HD1      TYS  11   9.607  -5.251  -4.916
  785    HD2  TYS  11           HD2      TYS  11  12.714  -2.303  -5.090
  786    HE1  TYS  11           HE1      TYS  11   8.419  -4.141  -6.656
  787    HE2  TYS  11           HE2      TYS  11  11.339  -0.989  -6.659
  788    H    GLY  12           H        GLY  12   9.767  -3.626  -0.806
  789    HA2  GLY  12           HA2      GLY  12   8.534  -5.034   0.482
  790    HA3  GLY  12           HA3      GLY  12   9.490  -6.330  -0.058
  791    H    HIS  13           H        HIS  13   8.454  -5.208   2.784
  792    HA   HIS  13           HA       HIS  13  10.520  -6.889   3.948
  793    HB2  HIS  13           HB2      HIS  13  11.061  -5.556   5.826
  794    HB3  HIS  13           HB3      HIS  13  11.606  -4.755   4.361
  795    HD1  HIS  13           HD1      HIS  13   9.878  -2.732   3.444
  796    HD2  HIS  13           HD2      HIS  13   9.411  -4.093   7.421
  797    HE1  HIS  13           HE1      HIS  13   8.504  -0.928   4.689
  798    HE2  HIS  13           HE2      HIS  13   8.551  -1.582   7.175
  799    H2   TYS  14           H2       TYS  14  10.034  -7.760   5.918
  800    HA   TYS  14           HA       TYS  14   7.138  -7.735   6.600
  801    HB2  TYS  14           HB2      TYS  14   9.409  -9.743   6.852
  802    HB3  TYS  14           HB3      TYS  14   7.984  -9.896   7.822
  803    HD1  TYS  14           HD1      TYS  14   9.017  -9.761   4.116
  804    HD2  TYS  14           HD2      TYS  14   5.966 -10.766   7.035
  805    HE1  TYS  14           HE1      TYS  14   8.115 -11.361   2.622
  806    HE2  TYS  14           HE2      TYS  14   5.032 -12.383   5.479
  807    H    ASP  15           H        ASP  15   6.337  -7.089   8.417
  808    HA   ASP  15           HA       ASP  15   8.111  -6.316  10.646
  809    HB2  ASP  15           HB2      ASP  15   8.016  -4.412   8.900
  810    HB3  ASP  15           HB3      ASP  15   6.358  -4.195   9.385
  811    H    ASP  16           H        ASP  16   7.117  -6.174  12.533
  812    HA   ASP  16           HA       ASP  16   4.153  -6.625  12.669
  813    HB2  ASP  16           HB2      ASP  16   6.290  -8.216  14.123
  814    HB3  ASP  16           HB3      ASP  16   4.569  -8.298  14.494
  815    H    LYS  17           H        LYS  17   6.042  -4.225  13.289
  816    HA   LYS  17           HA       LYS  17   4.357  -3.542  15.655
  817    HB2  LYS  17           HB2      LYS  17   5.938  -2.221  16.719
  818    HB3  LYS  17           HB3      LYS  17   6.635  -3.818  16.536
  819    HG2  LYS  17           HG2      LYS  17   7.321  -1.496  14.682
  820    HG3  LYS  17           HG3      LYS  17   8.115  -1.743  16.223
  821    HD2  LYS  17           HD2      LYS  17   8.926  -3.929  15.554
  822    HD3  LYS  17           HD3      LYS  17   8.143  -3.807  13.986
  823    HE2  LYS  17           HE2      LYS  17  10.226  -1.857  15.049
  824    HE3  LYS  17           HE3      LYS  17  10.605  -3.235  14.014
  825    HZ1  LYS  17           HZ1      LYS  17  10.400  -1.216  12.723
  826    HZ2  LYS  17           HZ2      LYS  17   8.833  -0.982  13.201
  827    HZ3  LYS  17           HZ3      LYS  17   9.220  -2.279  12.288
  828    H    ASP  18           H        ASP  18   5.931  -2.351  12.716
  829    HA   ASP  18           HA       ASP  18   4.696   0.271  12.835
  830    HB2  ASP  18           HB2      ASP  18   6.018  -1.365  10.628
  831    HB3  ASP  18           HB3      ASP  18   5.292   0.193  10.334
  832    H    THR  19           H        THR  19   3.313  -2.742  12.265
  833    HA   THR  19           HA       THR  19   1.748  -2.781  10.092
  834    HB   THR  19           HB       THR  19   1.811  -4.676  11.643
  835    HG1  THR  19           HG1      THR  19   0.164  -4.697  10.332
  836   HG21  THR  19          HG21      THR  19   0.018  -3.169  13.530
  837   HG22  THR  19          HG22      THR  19   1.766  -3.379  13.794
  838   HG23  THR  19          HG23      THR  19   0.736  -4.801  13.693
  839    H    LEU  20           H        LEU  20  -0.487  -2.556   9.523
  840    HA   LEU  20           HA       LEU  20  -2.000  -0.439  10.944
  841    HB2  LEU  20           HB2      LEU  20  -1.676   0.268   8.611
  842    HB3  LEU  20           HB3      LEU  20  -2.156  -1.341   8.051
  843    HG   LEU  20           HG       LEU  20  -4.430  -0.921   9.015
  844   HD11  LEU  20          HD11      LEU  20  -5.081   1.436   9.499
  845   HD12  LEU  20          HD12      LEU  20  -3.366   1.903   9.449
  846   HD13  LEU  20          HD13      LEU  20  -3.966   0.789  10.700
  847   HD21  LEU  20          HD21      LEU  20  -3.919  -0.580   6.718
  848   HD22  LEU  20          HD22      LEU  20  -3.382   1.087   6.983
  849   HD23  LEU  20          HD23      LEU  20  -5.097   0.633   7.214
  850    H    ASP  21           H        ASP  21  -3.683  -1.082  11.904
  851    HA   ASP  21           HA       ASP  21  -4.425  -3.881  12.234
  852    HB2  ASP  21           HB2      ASP  21  -5.124  -2.966  14.470
  853    HB3  ASP  21           HB3      ASP  21  -3.415  -2.759  14.103
  854    H    LEU  22           H        LEU  22  -5.933  -4.009  10.564
  855    HA   LEU  22           HA       LEU  22  -8.097  -2.214  10.011
  856    HB2  LEU  22           HB2      LEU  22  -6.940  -4.767   9.026
  857    HB3  LEU  22           HB3      LEU  22  -8.678  -4.681   8.817
  858    HG   LEU  22           HG       LEU  22  -8.435  -2.635   7.487
  859   HD11  LEU  22          HD11      LEU  22  -6.507  -1.550   8.454
  860   HD12  LEU  22          HD12      LEU  22  -6.091  -1.980   6.785
  861   HD13  LEU  22          HD13      LEU  22  -5.472  -2.964   8.138
  862   HD21  LEU  22          HD21      LEU  22  -7.208  -3.692   5.615
  863   HD22  LEU  22          HD22      LEU  22  -8.215  -4.875   6.491
  864   HD23  LEU  22          HD23      LEU  22  -6.463  -4.846   6.746
  865    H    ASN  23           H        ASN  23  -8.076  -3.418  12.863
  866    HA   ASN  23           HA       ASN  23 -10.857  -4.529  12.894
  867    HB2  ASN  23           HB2      ASN  23 -10.130  -6.407  14.178
  868    HB3  ASN  23           HB3      ASN  23  -9.073  -6.324  12.776
  869   HD21  ASN  23          HD21      ASN  23  -6.785  -5.928  13.156
  870   HD22  ASN  23          HD22      ASN  23  -6.177  -5.786  14.817
  871    H    THR  24           H        THR  24  -8.907  -2.147  14.340
  872    HA   THR  24           HA       THR  24 -10.764  -1.870  16.592
  873    HB   THR  24           HB       THR  24  -9.200  -3.548  17.458
  874    HG1  THR  24           HG1      THR  24  -9.938  -2.204  18.966
  875   HG21  THR  24          HG21      THR  24  -6.999  -1.473  17.108
  876   HG22  THR  24          HG22      THR  24  -7.157  -2.979  16.165
  877   HG23  THR  24          HG23      THR  24  -6.864  -3.050  17.909
  878    HA   PRO  25           HA       PRO  25  -9.035   2.373  16.199
  879    HB2  PRO  25           HB2      PRO  25 -10.623   3.701  17.905
  880    HB3  PRO  25           HB3      PRO  25 -11.334   2.913  16.462
  881    HG2  PRO  25           HG2      PRO  25 -11.148   1.790  19.284
  882    HG3  PRO  25           HG3      PRO  25 -12.625   1.946  18.270
  883    HD2  PRO  25           HD2      PRO  25 -11.126  -0.353  18.417
  884    HD3  PRO  25           HD3      PRO  25 -11.971   0.139  16.920
  885    H    VAL  26           H        VAL  26  -8.095   3.974  17.512
  886    HA   VAL  26           HA       VAL  26  -6.613   4.863  18.834
  887    HB   VAL  26           HB       VAL  26  -8.664   5.254  19.996
  888   HG11  VAL  26          HG11      VAL  26  -7.955   2.943  21.840
  889   HG12  VAL  26          HG12      VAL  26  -9.377   3.073  20.782
  890   HG13  VAL  26          HG13      VAL  26  -9.196   4.168  22.148
  891   HG21  VAL  26          HG21      VAL  26  -7.740   6.066  22.082
  892   HG22  VAL  26          HG22      VAL  26  -6.578   6.311  20.777
  893   HG23  VAL  26          HG23      VAL  26  -6.345   4.983  21.938
  894    H    ASP  27           H        ASP  27  -4.647   4.765  19.410
  895    HA   ASP  27           HA       ASP  27  -3.562   2.378  20.898
  896    HB2  ASP  27           HB2      ASP  27  -2.249   4.096  18.764
  897    HB3  ASP  27           HB3      ASP  27  -1.398   2.915  19.752
  898    H    LYS  28           H        LYS  28  -3.759   5.898  20.744
  899    HA   LYS  28           HA       LYS  28  -1.628   6.321  22.741
  900    HB2  LYS  28           HB2      LYS  28  -3.747   8.210  21.612
  901    HB3  LYS  28           HB3      LYS  28  -2.412   8.686  22.654
  902    HG2  LYS  28           HG2      LYS  28  -2.235   7.610  19.811
  903    HG3  LYS  28           HG3      LYS  28  -1.877   9.240  20.357
  904    HD2  LYS  28           HD2      LYS  28  -0.273   6.729  21.025
  905    HD3  LYS  28           HD3      LYS  28   0.162   7.980  19.865
  906    HE2  LYS  28           HE2      LYS  28   0.373   9.656  21.613
  907    HE3  LYS  28           HE3      LYS  28  -0.261   8.544  22.828
  908    HZ1  LYS  28           HZ1      LYS  28   1.691   7.164  22.557
  909    HZ2  LYS  28           HZ2      LYS  28   2.132   8.694  22.921
  910    HZ3  LYS  28           HZ3      LYS  28   2.289   8.138  21.368
  911    HN1  NH2  29           HN1      NH2  29  -1.868   7.004  24.887
  912    HN2  NH2  29           HN2      NH2  29  -3.346   6.671  25.759
  Start of MODEL    2
    1    H1   ASN  31           H1       ASN  31  10.437  18.384 -19.562
    2    H2   ASN  31           H2       ASN  31  10.109  19.748 -18.700
    3    H3   ASN  31           H3       ASN  31  11.546  18.968 -18.491
    4    HA   ASN  31           HA       ASN  31  10.441  17.054 -17.581
    5    HB2  ASN  31           HB2      ASN  31   9.523  19.622 -16.199
    6    HB3  ASN  31           HB3      ASN  31   9.558  18.014 -15.480
    7   HD21  ASN  31          HD21      ASN  31  10.860  19.786 -14.014
    8   HD22  ASN  31          HD22      ASN  31  12.595  19.557 -14.205
    9    H    SER  32           H        SER  32   8.539  15.901 -17.238
   10    HA   SER  32           HA       SER  32   5.960  17.244 -17.772
   11    HB2  SER  32           HB2      SER  32   6.855  16.165 -19.906
   12    HB3  SER  32           HB3      SER  32   6.493  14.607 -19.135
   13    HG   SER  32           HG       SER  32   4.832  15.574 -20.467
   14    H    GLY  33           H        GLY  33   7.729  14.841 -15.998
   15    HA2  GLY  33           HA2      GLY  33   7.083  14.340 -13.821
   16    HA3  GLY  33           HA3      GLY  33   5.401  14.655 -14.197
   17    H    LEU  34           H        LEU  34   5.387  12.723 -12.745
   18    HA   LEU  34           HA       LEU  34   5.671  10.098 -14.162
   19    HB2  LEU  34           HB2      LEU  34   5.884  10.832 -11.212
   20    HB3  LEU  34           HB3      LEU  34   6.079   9.212 -11.849
   21    HG   LEU  34           HG       LEU  34   7.917  11.562 -12.446
   22   HD11  LEU  34          HD11      LEU  34   9.529  10.339 -11.061
   23   HD12  LEU  34          HD12      LEU  34   8.317   9.086 -10.718
   24   HD13  LEU  34          HD13      LEU  34   8.085  10.756 -10.134
   25   HD21  LEU  34          HD21      LEU  34   8.143   8.614 -13.200
   26   HD22  LEU  34          HD22      LEU  34   9.408   9.838 -13.431
   27   HD23  LEU  34          HD23      LEU  34   7.903   9.966 -14.334
   28    HA   PRO  35           HA       PRO  35   1.465   8.908 -13.742
   29    HB2  PRO  35           HB2      PRO  35   2.341   6.771 -11.829
   30    HB3  PRO  35           HB3      PRO  35   1.154   6.640 -13.161
   31    HG2  PRO  35           HG2      PRO  35   3.669   5.787 -13.560
   32    HG3  PRO  35           HG3      PRO  35   2.905   6.831 -14.808
   33    HD2  PRO  35           HD2      PRO  35   4.883   7.587 -12.663
   34    HD3  PRO  35           HD3      PRO  35   4.830   8.096 -14.378
   35    H    THR  36           H        THR  36  -0.426   8.901 -12.534
   36    HA   THR  36           HA       THR  36  -0.411   9.282  -9.613
   37    HB   THR  36           HB       THR  36  -0.069  11.544 -10.482
   38    HG1  THR  36           HG1      THR  36  -2.624  11.169  -9.389
   39   HG21  THR  36          HG21      THR  36  -1.866  12.761 -11.625
   40   HG22  THR  36          HG22      THR  36  -2.841  11.283 -11.742
   41   HG23  THR  36          HG23      THR  36  -1.308  11.421 -12.632
   42    H    THR  37           H        THR  37  -1.631   7.490 -11.951
   43    HA   THR  37           HA       THR  37  -4.371   7.377 -10.783
   44    HB   THR  37           HB       THR  37  -4.783   5.628 -12.502
   45    HG1  THR  37           HG1      THR  37  -3.342   5.102 -13.893
   46   HG21  THR  37          HG21      THR  37  -5.471   7.975 -12.852
   47   HG22  THR  37          HG22      THR  37  -5.033   7.170 -14.373
   48   HG23  THR  37          HG23      THR  37  -3.907   8.320 -13.618
   49    H    LEU  38           H        LEU  38  -5.119   5.595  -9.649
   50    HA   LEU  38           HA       LEU  38  -3.202   4.197  -8.101
   51    HB2  LEU  38           HB2      LEU  38  -5.485   4.889  -7.372
   52    HB3  LEU  38           HB3      LEU  38  -6.146   3.810  -8.591
   53    HG   LEU  38           HG       LEU  38  -5.277   1.887  -7.480
   54   HD11  LEU  38          HD11      LEU  38  -4.457   3.696  -5.175
   55   HD12  LEU  38          HD12      LEU  38  -3.333   2.837  -6.264
   56   HD13  LEU  38          HD13      LEU  38  -4.402   1.924  -5.201
   57   HD21  LEU  38          HD21      LEU  38  -6.917   3.658  -5.632
   58   HD22  LEU  38          HD22      LEU  38  -6.817   1.883  -5.547
   59   HD23  LEU  38          HD23      LEU  38  -7.548   2.659  -6.961
   60    H    GLY  39           H        GLY  39  -4.991   3.162 -11.062
   61    HA2  GLY  39           HA2      GLY  39  -4.460   0.407 -10.957
   62    HA3  GLY  39           HA3      GLY  39  -4.590   1.349 -12.445
   63    H    LYS  40           H        LYS  40  -2.274   2.958 -12.272
   64    HA   LYS  40           HA       LYS  40  -0.160   1.129 -13.042
   65    HB2  LYS  40           HB2      LYS  40  -0.082   4.102 -12.362
   66    HB3  LYS  40           HB3      LYS  40   1.230   3.206 -13.126
   67    HG2  LYS  40           HG2      LYS  40  -1.540   3.584 -14.339
   68    HG3  LYS  40           HG3      LYS  40  -0.128   4.558 -14.717
   69    HD2  LYS  40           HD2      LYS  40   1.037   2.623 -15.652
   70    HD3  LYS  40           HD3      LYS  40  -0.291   1.546 -15.185
   71    HE2  LYS  40           HE2      LYS  40  -1.841   2.648 -16.666
   72    HE3  LYS  40           HE3      LYS  40  -0.669   3.912 -17.061
   73    HZ1  LYS  40           HZ1      LYS  40  -0.101   1.061 -17.605
   74    HZ2  LYS  40           HZ2      LYS  40   0.643   2.386 -18.237
   75    HZ3  LYS  40           HZ3      LYS  40  -0.883   2.001 -18.710
   76    H    LEU  41           H        LEU  41  -0.880   2.825 -10.031
   77    HA   LEU  41           HA       LEU  41   1.533   2.031  -8.662
   78    HB2  LEU  41           HB2      LEU  41   0.137   3.988  -8.127
   79    HB3  LEU  41           HB3      LEU  41  -1.162   2.950  -7.558
   80    HG   LEU  41           HG       LEU  41   1.595   2.642  -6.360
   81   HD11  LEU  41          HD11      LEU  41   0.958   4.391  -4.669
   82   HD12  LEU  41          HD12      LEU  41  -0.435   4.823  -5.669
   83   HD13  LEU  41          HD13      LEU  41   1.220   5.065  -6.287
   84   HD21  LEU  41          HD21      LEU  41  -1.188   2.558  -5.112
   85   HD22  LEU  41          HD22      LEU  41   0.347   2.154  -4.305
   86   HD23  LEU  41          HD23      LEU  41  -0.265   1.131  -5.611
   87    H    ASP  42           H        ASP  42  -1.766   0.610  -8.787
   88    HA   ASP  42           HA       ASP  42  -1.309  -1.641  -7.080
   89    HB2  ASP  42           HB2      ASP  42  -3.549  -1.075  -7.697
   90    HB3  ASP  42           HB3      ASP  42  -3.165  -1.028  -9.411
   91    H    GLU  43           H        GLU  43  -0.654  -1.260 -10.567
   92    HA   GLU  43           HA       GLU  43   0.348  -3.936 -10.985
   93    HB2  GLU  43           HB2      GLU  43  -0.236  -2.322 -12.800
   94    HB3  GLU  43           HB3      GLU  43   1.127  -1.315 -12.327
   95    HG2  GLU  43           HG2      GLU  43   2.629  -3.370 -12.785
   96    HG3  GLU  43           HG3      GLU  43   1.210  -4.095 -13.546
   97    H    ARG  44           H        ARG  44   1.891  -0.896  -9.880
   98    HA   ARG  44           HA       ARG  44   4.545  -1.986  -9.696
   99    HB2  ARG  44           HB2      ARG  44   3.607   0.538  -9.639
  100    HB3  ARG  44           HB3      ARG  44   3.632   0.263  -7.905
  101    HG2  ARG  44           HG2      ARG  44   5.679   1.274  -8.439
  102    HG3  ARG  44           HG3      ARG  44   6.100  -0.415  -8.160
  103    HD2  ARG  44           HD2      ARG  44   5.511   0.638 -10.963
  104    HD3  ARG  44           HD3      ARG  44   7.071   0.912 -10.202
  105    HE   ARG  44           HE       ARG  44   7.178  -1.630  -9.900
  106   HH11  ARG  44          HH11      ARG  44   5.428  -0.419 -12.723
  107   HH12  ARG  44          HH12      ARG  44   6.250  -1.558 -13.771
  108   HH21  ARG  44          HH21      ARG  44   8.279  -2.859 -11.352
  109   HH22  ARG  44          HH22      ARG  44   7.772  -2.907 -13.017
  110    H    LEU  45           H        LEU  45   1.966  -1.643  -7.211
  111    HA   LEU  45           HA       LEU  45   3.506  -2.837  -5.101
  112    HB2  LEU  45           HB2      LEU  45   0.516  -2.566  -5.544
  113    HB3  LEU  45           HB3      LEU  45   1.226  -3.226  -4.075
  114    HG   LEU  45           HG       LEU  45   1.657  -0.390  -5.110
  115   HD11  LEU  45          HD11      LEU  45  -0.587  -0.771  -4.243
  116   HD12  LEU  45          HD12      LEU  45   0.345   0.178  -3.064
  117   HD13  LEU  45          HD13      LEU  45   0.060  -1.552  -2.797
  118   HD21  LEU  45          HD21      LEU  45   2.672  -0.011  -2.850
  119   HD22  LEU  45          HD22      LEU  45   3.658  -1.008  -3.912
  120   HD23  LEU  45          HD23      LEU  45   2.709  -1.762  -2.606
  121    H    ARG  46           H        ARG  46   1.386  -4.334  -7.546
  122    HA   ARG  46           HA       ARG  46   1.668  -7.036  -6.507
  123    HB2  ARG  46           HB2      ARG  46   0.894  -5.901  -9.220
  124    HB3  ARG  46           HB3      ARG  46   0.953  -7.638  -8.895
  125    HG2  ARG  46           HG2      ARG  46  -0.684  -7.400  -7.060
  126    HG3  ARG  46           HG3      ARG  46  -0.719  -5.651  -7.298
  127    HD2  ARG  46           HD2      ARG  46  -1.415  -6.216  -9.746
  128    HD3  ARG  46           HD3      ARG  46  -1.797  -7.824  -9.115
  129    HE   ARG  46           HE       ARG  46  -3.024  -5.196  -8.313
  130   HH11  ARG  46          HH11      ARG  46  -3.453  -8.714  -8.190
  131   HH12  ARG  46          HH12      ARG  46  -5.197  -8.479  -8.014
  132   HH21  ARG  46          HH21      ARG  46  -4.937  -5.084  -7.638
  133   HH22  ARG  46          HH22      ARG  46  -5.952  -6.527  -7.372
  134    H    ASN  47           H        ASN  47   3.709  -5.016  -8.571
  135    HA   ASN  47           HA       ASN  47   5.674  -7.164  -9.067
  136    HB2  ASN  47           HB2      ASN  47   5.699  -4.152  -9.434
  137    HB3  ASN  47           HB3      ASN  47   7.170  -5.085  -9.467
  138   HD21  ASN  47          HD21      ASN  47   4.198  -4.368 -11.201
  139   HD22  ASN  47          HD22      ASN  47   4.824  -5.055 -12.713
  140    H    TYR  48           H        TYR  48   5.513  -4.450  -6.646
  141    HA   TYR  48           HA       TYR  48   7.792  -5.135  -5.266
  142    HB2  TYR  48           HB2      TYR  48   5.214  -3.872  -4.375
  143    HB3  TYR  48           HB3      TYR  48   6.365  -4.311  -3.220
  144    HD1  TYR  48           HD1      TYR  48   8.458  -3.159  -2.916
  145    HD2  TYR  48           HD2      TYR  48   5.495  -1.784  -5.693
  146    HE1  TYR  48           HE1      TYR  48   9.546  -0.940  -2.997
  147    HE2  TYR  48           HE2      TYR  48   6.539   0.466  -5.709
  148    HH   TYR  48           HH       TYR  48   9.487   1.175  -3.762
  149    H    LEU  49           H        LEU  49   4.635  -6.726  -4.858
  150    HA   LEU  49           HA       LEU  49   5.500  -8.315  -2.631
  151    HB2  LEU  49           HB2      LEU  49   3.297  -8.447  -4.693
  152    HB3  LEU  49           HB3      LEU  49   3.639  -9.922  -3.805
  153    HG   LEU  49           HG       LEU  49   3.139  -7.285  -2.412
  154   HD11  LEU  49          HD11      LEU  49   0.868  -8.239  -1.968
  155   HD12  LEU  49          HD12      LEU  49   1.220  -9.572  -3.078
  156   HD13  LEU  49          HD13      LEU  49   1.130  -7.898  -3.686
  157   HD21  LEU  49          HD21      LEU  49   4.276  -8.928  -1.020
  158   HD22  LEU  49          HD22      LEU  49   3.071 -10.164  -1.417
  159   HD23  LEU  49          HD23      LEU  49   2.625  -8.726  -0.467
  160    H    LYS  50           H        LYS  50   5.606  -9.125  -6.128
  161    HA   LYS  50           HA       LYS  50   6.793 -11.732  -5.626
  162    HB2  LYS  50           HB2      LYS  50   6.872 -10.062  -8.167
  163    HB3  LYS  50           HB3      LYS  50   7.223 -11.795  -7.973
  164    HG2  LYS  50           HG2      LYS  50   4.935 -12.294  -7.385
  165    HG3  LYS  50           HG3      LYS  50   4.494 -10.588  -7.353
  166    HD2  LYS  50           HD2      LYS  50   5.400 -12.090  -9.843
  167    HD3  LYS  50           HD3      LYS  50   3.723 -11.743  -9.391
  168    HE2  LYS  50           HE2      LYS  50   4.411  -9.253  -9.342
  169    HE3  LYS  50           HE3      LYS  50   5.904  -9.749 -10.147
  170    HZ1  LYS  50           HZ1      LYS  50   4.457 -10.738 -11.912
  171    HZ2  LYS  50           HZ2      LYS  50   4.253  -9.101 -11.774
  172    HZ3  LYS  50           HZ3      LYS  50   3.135 -10.128 -11.161
  173    H    LYS  51           H        LYS  51   8.141  -8.593  -6.583
  174    HA   LYS  51           HA       LYS  51  10.946  -9.189  -6.584
  175    HB2  LYS  51           HB2      LYS  51   9.318  -6.702  -5.985
  176    HB3  LYS  51           HB3      LYS  51  11.072  -6.715  -6.026
  177    HG2  LYS  51           HG2      LYS  51   9.553  -7.662  -8.460
  178    HG3  LYS  51           HG3      LYS  51   9.729  -5.939  -8.124
  179    HD2  LYS  51           HD2      LYS  51  12.187  -6.200  -7.947
  180    HD3  LYS  51           HD3      LYS  51  12.049  -7.902  -8.365
  181    HE2  LYS  51           HE2      LYS  51  11.018  -5.641 -10.149
  182    HE3  LYS  51           HE3      LYS  51  12.686  -6.215 -10.210
  183    HZ1  LYS  51           HZ1      LYS  51  10.298  -7.882 -10.775
  184    HZ2  LYS  51           HZ2      LYS  51  11.387  -7.315 -11.861
  185    HZ3  LYS  51           HZ3      LYS  51  11.861  -8.434 -10.735
  186    H    GLY  52           H        GLY  52   8.725  -8.610  -3.860
  187    HA2  GLY  52           HA2      GLY  52  11.044  -8.067  -2.090
  188    HA3  GLY  52           HA3      GLY  52   9.420  -7.428  -1.983
  189    H    THR  53           H        THR  53   8.419 -10.422  -2.311
  190    HA   THR  53           HA       THR  53   8.956 -11.268   0.497
  191    HB   THR  53           HB       THR  53   6.789 -12.137   0.587
  192    HG1  THR  53           HG1      THR  53   6.484 -11.315  -2.155
  193   HG21  THR  53          HG21      THR  53   5.368 -10.249   0.482
  194   HG22  THR  53          HG22      THR  53   6.454  -9.423  -0.672
  195   HG23  THR  53          HG23      THR  53   6.969  -9.722   0.998
  196    H    LYS  54           H        LYS  54   8.841 -13.585   0.900
  197    HA   LYS  54           HA       LYS  54  10.332 -15.076  -1.050
  198    HB2  LYS  54           HB2      LYS  54   8.959 -15.922   1.534
  199    HB3  LYS  54           HB3      LYS  54   9.995 -16.980   0.570
  200    HG2  LYS  54           HG2      LYS  54  11.893 -15.507   0.823
  201    HG3  LYS  54           HG3      LYS  54  10.928 -14.283   1.647
  202    HD2  LYS  54           HD2      LYS  54  10.512 -15.792   3.523
  203    HD3  LYS  54           HD3      LYS  54  11.475 -17.075   2.751
  204    HE2  LYS  54           HE2      LYS  54  12.519 -14.279   3.385
  205    HE3  LYS  54           HE3      LYS  54  12.661 -15.632   4.513
  206    HZ1  LYS  54           HZ1      LYS  54  14.657 -15.307   3.114
  207    HZ2  LYS  54           HZ2      LYS  54  14.052 -16.797   3.009
  208    HZ3  LYS  54           HZ3      LYS  54  13.812 -15.730   1.768
  209    H    ASN  55           H        ASN  55   6.926 -15.102  -0.072
  210    HA   ASN  55           HA       ASN  55   6.128 -16.392  -2.566
  211    HB2  ASN  55           HB2      ASN  55   6.653 -18.277  -0.975
  212    HB3  ASN  55           HB3      ASN  55   5.616 -17.531   0.244
  213   HD21  ASN  55          HD21      ASN  55   4.158 -19.252   0.447
  214   HD22  ASN  55          HD22      ASN  55   3.122 -19.762  -0.874
  215    H    SER  56           H        SER  56   5.114 -14.526  -3.109
  216    HA   SER  56           HA       SER  56   3.430 -12.950  -1.515
  217    HB2  SER  56           HB2      SER  56   2.611 -12.022  -3.678
  218    HB3  SER  56           HB3      SER  56   4.376 -12.078  -3.510
  219    HG   SER  56           HG       SER  56   4.490 -13.783  -4.866
  220    H    ALA  57           H        ALA  57   2.597 -15.993  -3.021
  221    HA   ALA  57           HA       ALA  57  -0.114 -15.670  -3.503
  222    HB1  ALA  57           HB1      ALA  57  -0.187 -18.116  -3.460
  223    HB2  ALA  57           HB2      ALA  57   1.339 -18.177  -2.549
  224    HB3  ALA  57           HB3      ALA  57   1.314 -17.569  -4.219
  225    H    GLN  58           H        GLN  58   1.283 -15.928  -0.335
  226    HA   GLN  58           HA       GLN  58  -1.087 -16.943   1.022
  227    HB2  GLN  58           HB2      GLN  58   0.164 -16.528   3.050
  228    HB3  GLN  58           HB3      GLN  58   1.206 -17.306   1.858
  229    HG2  GLN  58           HG2      GLN  58   2.143 -14.980   1.306
  230    HG3  GLN  58           HG3      GLN  58   1.229 -14.351   2.641
  231   HE21  GLN  58          HE21      GLN  58   4.229 -15.274   1.735
  232   HE22  GLN  58          HE22      GLN  58   4.831 -15.686   3.313
  233    H    PHE  59           H        PHE  59  -0.071 -13.810  -0.078
  234    HA   PHE  59           HA       PHE  59  -1.681 -12.246   1.791
  235    HB2  PHE  59           HB2      PHE  59  -0.167 -11.493  -0.711
  236    HB3  PHE  59           HB3      PHE  59  -1.032 -10.369   0.325
  237    HD1  PHE  59           HD1      PHE  59  -0.350 -10.082   2.741
  238    HD2  PHE  59           HD2      PHE  59   2.038 -12.309  -0.041
  239    HE1  PHE  59           HE1      PHE  59   1.597  -9.883   4.266
  240    HE2  PHE  59           HE2      PHE  59   3.990 -12.132   1.478
  241    HZ   PHE  59           HZ       PHE  59   3.774 -10.897   3.616
  242    H    GLU  60           H        GLU  60  -3.611 -11.194   1.352
  243    HA   GLU  60           HA       GLU  60  -5.116 -12.173  -1.055
  244    HB2  GLU  60           HB2      GLU  60  -6.999 -12.638   0.184
  245    HB3  GLU  60           HB3      GLU  60  -5.656 -13.423   1.031
  246    HG2  GLU  60           HG2      GLU  60  -5.623 -11.613   2.674
  247    HG3  GLU  60           HG3      GLU  60  -6.908 -10.755   1.832
  248    H    LYS  61           H        LYS  61  -4.472  -9.517   1.085
  249    HA   LYS  61           HA       LYS  61  -5.374  -7.707  -0.994
  250    HB2  LYS  61           HB2      LYS  61  -6.899  -6.397   0.191
  251    HB3  LYS  61           HB3      LYS  61  -7.438  -8.046   0.429
  252    HG2  LYS  61           HG2      LYS  61  -6.697  -8.035   2.745
  253    HG3  LYS  61           HG3      LYS  61  -5.819  -6.516   2.527
  254    HD2  LYS  61           HD2      LYS  61  -7.781  -5.263   2.216
  255    HD3  LYS  61           HD3      LYS  61  -8.794  -6.681   1.970
  256    HE2  LYS  61           HE2      LYS  61  -7.364  -6.067   4.579
  257    HE3  LYS  61           HE3      LYS  61  -9.003  -5.512   4.204
  258    HZ1  LYS  61           HZ1      LYS  61  -8.169  -8.359   4.354
  259    HZ2  LYS  61           HZ2      LYS  61  -9.670  -7.848   3.957
  260    HZ3  LYS  61           HZ3      LYS  61  -9.075  -7.548   5.460
  261    H    MET  62           H        MET  62  -5.009  -5.452  -0.361
  262    HA   MET  62           HA       MET  62  -2.752  -4.956   1.478
  263    HB2  MET  62           HB2      MET  62  -1.497  -3.722  -0.204
  264    HB3  MET  62           HB3      MET  62  -1.738  -5.396  -0.704
  265    HG2  MET  62           HG2      MET  62  -3.588  -4.688  -2.197
  266    HG3  MET  62           HG3      MET  62  -3.285  -3.002  -1.751
  267    HE1  MET  62           HE1      MET  62  -3.119  -2.470  -4.413
  268    HE2  MET  62           HE2      MET  62  -3.402  -4.195  -4.750
  269    HE3  MET  62           HE3      MET  62  -2.034  -3.357  -5.505
  270    H    VAL  63           H        VAL  63  -2.496  -2.704   1.992
  271    HA   VAL  63           HA       VAL  63  -4.748  -0.927   1.290
  272    HB   VAL  63           HB       VAL  63  -3.868  -1.378   4.165
  273   HG11  VAL  63          HG11      VAL  63  -5.936   0.503   2.927
  274   HG12  VAL  63          HG12      VAL  63  -4.473   0.970   3.829
  275   HG13  VAL  63          HG13      VAL  63  -5.811   0.165   4.653
  276   HG21  VAL  63          HG21      VAL  63  -5.353  -3.200   3.418
  277   HG22  VAL  63          HG22      VAL  63  -6.506  -2.014   2.793
  278   HG23  VAL  63          HG23      VAL  63  -6.187  -2.117   4.531
  279    H    ILE  64           H        ILE  64  -4.168   1.143   1.050
  280    HA   ILE  64           HA       ILE  64  -1.227   1.721   1.048
  281    HB   ILE  64           HB       ILE  64  -3.333   2.581  -0.963
  282   HG12  ILE  64          HG12      ILE  64  -1.387   0.294  -1.434
  283   HG13  ILE  64          HG13      ILE  64  -3.045   0.015  -0.921
  284   HG21  ILE  64          HG21      ILE  64  -0.286   2.520  -1.126
  285   HG22  ILE  64          HG22      ILE  64  -1.281   3.973  -0.881
  286   HG23  ILE  64          HG23      ILE  64  -1.380   3.093  -2.398
  287   HD11  ILE  64          HD11      ILE  64  -3.912   1.174  -2.904
  288   HD12  ILE  64          HD12      ILE  64  -2.946  -0.267  -3.278
  289   HD13  ILE  64          HD13      ILE  64  -2.248   1.340  -3.509
  290    H    LEU  65           H        LEU  65  -0.585   3.686   1.789
  291    HA   LEU  65           HA       LEU  65  -2.636   5.735   2.546
  292    HB2  LEU  65           HB2      LEU  65  -0.124   4.813   4.009
  293    HB3  LEU  65           HB3      LEU  65  -1.005   6.275   4.408
  294    HG   LEU  65           HG       LEU  65  -2.000   3.409   4.669
  295   HD11  LEU  65          HD11      LEU  65  -0.420   4.339   6.449
  296   HD12  LEU  65          HD12      LEU  65  -2.000   3.826   7.043
  297   HD13  LEU  65          HD13      LEU  65  -1.650   5.555   6.809
  298   HD21  LEU  65          HD21      LEU  65  -3.966   4.456   5.837
  299   HD22  LEU  65          HD22      LEU  65  -3.952   4.694   4.077
  300   HD23  LEU  65          HD23      LEU  65  -3.475   6.018   5.167
  301    H    THR  66           H        THR  66  -2.255   7.769   1.864
  302    HA   THR  66           HA       THR  66   0.342   8.339   0.475
  303    HB   THR  66           HB       THR  66  -0.865   9.504  -1.260
  304    HG1  THR  66           HG1      THR  66  -2.618  10.280  -0.177
  305   HG21  THR  66          HG21      THR  66  -0.594   7.049  -1.569
  306   HG22  THR  66          HG22      THR  66  -1.999   7.727  -2.413
  307   HG23  THR  66          HG23      THR  66  -2.231   6.812  -0.907
  308    H    GLU  67           H        GLU  67   0.625  10.747  -0.040
  309    HA   GLU  67           HA       GLU  67   0.193  12.539   2.135
  310    HB2  GLU  67           HB2      GLU  67   0.032  13.505  -0.697
  311    HB3  GLU  67           HB3      GLU  67   0.687  14.310   0.703
  312    HG2  GLU  67           HG2      GLU  67   2.722  13.036   0.610
  313    HG3  GLU  67           HG3      GLU  67   2.057  11.924  -0.594
  314    H    ASN  68           H        ASN  68  -1.254  14.499   1.952
  315    HA   ASN  68           HA       ASN  68  -3.294  15.395   2.170
  316    HB2  ASN  68           HB2      ASN  68  -3.674  14.106  -0.559
  317    HB3  ASN  68           HB3      ASN  68  -4.729  15.342   0.081
  318   HD21  ASN  68          HD21      ASN  68  -2.102  14.915  -1.916
  319   HD22  ASN  68          HD22      ASN  68  -1.348  16.496  -1.734
  320    H    LYS  69           H        LYS  69  -2.948  12.946   3.435
  321    HA   LYS  69           HA       LYS  69  -3.878  11.161   4.455
  322    HB2  LYS  69           HB2      LYS  69  -6.229  13.065   4.676
  323    HB3  LYS  69           HB3      LYS  69  -5.865  11.695   5.743
  324    HG2  LYS  69           HG2      LYS  69  -3.588  12.800   6.177
  325    HG3  LYS  69           HG3      LYS  69  -4.239  14.248   5.395
  326    HD2  LYS  69           HD2      LYS  69  -5.305  12.881   7.887
  327    HD3  LYS  69           HD3      LYS  69  -4.386  14.391   7.808
  328    HE2  LYS  69           HE2      LYS  69  -6.259  15.383   6.439
  329    HE3  LYS  69           HE3      LYS  69  -7.194  13.905   6.743
  330    HZ1  LYS  69           HZ1      LYS  69  -6.143  15.768   8.811
  331    HZ2  LYS  69           HZ2      LYS  69  -6.924  14.352   9.140
  332    HZ3  LYS  69           HZ3      LYS  69  -7.723  15.574   8.393
  333    H    GLY  70           H        GLY  70  -4.127  10.831   1.634
  334    HA2  GLY  70           HA2      GLY  70  -6.625   9.456   1.105
  335    HA3  GLY  70           HA3      GLY  70  -5.134   9.272   0.189
  336    H    TYR  71           H        TYR  71  -7.083   7.326   1.047
  337    HA   TYR  71           HA       TYR  71  -5.403   5.264   2.304
  338    HB2  TYR  71           HB2      TYR  71  -6.302   6.116   4.292
  339    HB3  TYR  71           HB3      TYR  71  -7.838   6.514   3.556
  340    HD1  TYR  71           HD1      TYR  71  -9.562   4.844   3.133
  341    HD2  TYR  71           HD2      TYR  71  -5.977   3.855   5.340
  342    HE1  TYR  71           HE1      TYR  71 -10.695   2.872   4.123
  343    HE2  TYR  71           HE2      TYR  71  -7.132   1.924   6.350
  344    HH   TYR  71           HH       TYR  71  -9.173   0.852   6.637
  345    H    TYR  72           H        TYR  72  -5.709   3.414   1.185
  346    HA   TYR  72           HA       TYR  72  -8.271   2.946  -0.304
  347    HB2  TYR  72           HB2      TYR  72  -5.495   2.685  -1.511
  348    HB3  TYR  72           HB3      TYR  72  -7.021   2.412  -2.311
  349    HD1  TYR  72           HD1      TYR  72  -4.698   4.981  -0.970
  350    HD2  TYR  72           HD2      TYR  72  -8.295   4.253  -3.244
  351    HE1  TYR  72           HE1      TYR  72  -4.634   7.326  -1.834
  352    HE2  TYR  72           HE2      TYR  72  -8.192   6.557  -4.146
  353    HH   TYR  72           HH       TYR  72  -7.172   8.565  -4.038
  354    H    THR  73           H        THR  73  -8.991   0.909   0.204
  355    HA   THR  73           HA       THR  73  -6.979  -1.265   0.686
  356    HB   THR  73           HB       THR  73  -8.781  -1.113   2.332
  357    HG1  THR  73           HG1      THR  73  -9.426  -3.356   2.017
  358   HG21  THR  73          HG21      THR  73 -10.685  -0.398   0.835
  359   HG22  THR  73          HG22      THR  73 -11.038  -1.770   1.881
  360   HG23  THR  73          HG23      THR  73 -10.702  -2.039   0.157
  361    H    VAL  74           H        VAL  74  -6.655  -2.922  -0.713
  362    HA   VAL  74           HA       VAL  74  -8.277  -3.152  -3.203
  363    HB   VAL  74           HB       VAL  74  -5.250  -2.815  -3.218
  364   HG11  VAL  74          HG11      VAL  74  -6.041  -4.322  -5.002
  365   HG12  VAL  74          HG12      VAL  74  -5.538  -2.784  -5.688
  366   HG13  VAL  74          HG13      VAL  74  -7.269  -3.131  -5.489
  367   HG21  VAL  74          HG21      VAL  74  -7.396  -0.889  -4.204
  368   HG22  VAL  74          HG22      VAL  74  -5.654  -0.742  -4.524
  369   HG23  VAL  74          HG23      VAL  74  -6.249  -0.610  -2.871
  370    H    TYR  75           H        TYR  75  -8.636  -5.234  -3.691
  371    HA   TYR  75           HA       TYR  75  -7.349  -7.298  -2.038
  372    HB2  TYR  75           HB2      TYR  75  -9.645  -7.361  -4.006
  373    HB3  TYR  75           HB3      TYR  75  -9.036  -8.767  -3.149
  374    HD1  TYR  75           HD1      TYR  75  -9.334  -9.021  -0.707
  375    HD2  TYR  75           HD2      TYR  75 -10.852  -5.549  -2.769
  376    HE1  TYR  75           HE1      TYR  75 -10.691  -8.448   1.268
  377    HE2  TYR  75           HE2      TYR  75 -12.173  -4.936  -0.751
  378    HH   TYR  75           HH       TYR  75 -12.112  -6.941   2.229
  379    H    LEU  76           H        LEU  76  -6.153  -9.013  -2.707
  380    HA   LEU  76           HA       LEU  76  -4.608  -8.567  -5.218
  381    HB2  LEU  76           HB2      LEU  76  -3.996  -9.873  -2.544
  382    HB3  LEU  76           HB3      LEU  76  -2.923 -10.024  -3.919
  383    HG   LEU  76           HG       LEU  76  -3.719  -7.322  -2.756
  384   HD11  LEU  76          HD11      LEU  76  -1.458  -7.404  -1.748
  385   HD12  LEU  76          HD12      LEU  76  -1.288  -9.091  -2.291
  386   HD13  LEU  76          HD13      LEU  76  -2.518  -8.663  -1.091
  387   HD21  LEU  76          HD21      LEU  76  -1.541  -8.223  -4.708
  388   HD22  LEU  76          HD22      LEU  76  -1.646  -6.606  -3.992
  389   HD23  LEU  76          HD23      LEU  76  -2.919  -7.159  -5.078
  390    H    ASN  77           H        ASN  77  -6.713 -11.018  -3.858
  391    HA   ASN  77           HA       ASN  77  -5.644 -13.204  -5.477
  392    HB2  ASN  77           HB2      ASN  77  -8.322 -12.816  -4.068
  393    HB3  ASN  77           HB3      ASN  77  -7.801 -14.310  -4.825
  394   HD21  ASN  77          HD21      ASN  77  -8.548 -14.076  -2.111
  395   HD22  ASN  77          HD22      ASN  77  -7.138 -14.510  -1.170
  396    H    THR  78           H        THR  78  -6.980 -10.399  -6.567
  397    HA   THR  78           HA       THR  78  -8.437 -11.543  -8.864
  398    HB   THR  78           HB       THR  78 -10.325 -10.016  -8.413
  399    HG1  THR  78           HG1      THR  78 -10.403  -9.121  -6.246
  400   HG21  THR  78          HG21      THR  78  -9.877 -11.669  -5.894
  401   HG22  THR  78          HG22      THR  78 -10.377 -12.367  -7.452
  402   HG23  THR  78          HG23      THR  78 -11.412 -11.186  -6.639
  403    HA   PRO  79           HA       PRO  79  -7.020  -7.618 -10.789
  404    HB2  PRO  79           HB2      PRO  79  -9.664  -7.858 -12.215
  405    HB3  PRO  79           HB3      PRO  79  -8.050  -7.532 -12.906
  406    HG2  PRO  79           HG2      PRO  79  -9.158  -9.982 -13.185
  407    HG3  PRO  79           HG3      PRO  79  -7.425  -9.837 -12.715
  408    HD2  PRO  79           HD2      PRO  79  -9.785 -10.302 -10.883
  409    HD3  PRO  79           HD3      PRO  79  -8.232 -11.195 -10.996
  410    H    LEU  80           H        LEU  80  -7.650  -5.401 -10.463
  411    HA   LEU  80           HA       LEU  80 -10.008  -4.991  -8.699
  412    HB2  LEU  80           HB2      LEU  80  -9.136  -3.092  -7.878
  413    HB3  LEU  80           HB3      LEU  80  -7.720  -4.114  -8.063
  414    HG   LEU  80           HG       LEU  80  -8.514  -1.829  -9.932
  415   HD11  LEU  80          HD11      LEU  80  -6.289  -1.985  -7.864
  416   HD12  LEU  80          HD12      LEU  80  -7.805  -1.079  -7.663
  417   HD13  LEU  80          HD13      LEU  80  -6.654  -0.612  -8.928
  418   HD21  LEU  80          HD21      LEU  80  -6.066  -3.635  -9.827
  419   HD22  LEU  80          HD22      LEU  80  -6.111  -2.101 -10.708
  420   HD23  LEU  80          HD23      LEU  80  -7.207  -3.411 -11.171
  421    H    ALA  81           H        ALA  81 -11.592  -3.421  -9.128
  422    HA   ALA  81           HA       ALA  81 -12.588  -3.557 -11.767
  423    HB1  ALA  81           HB1      ALA  81 -13.385  -1.713  -9.475
  424    HB2  ALA  81           HB2      ALA  81 -13.973  -3.358  -9.741
  425    HB3  ALA  81           HB3      ALA  81 -14.369  -2.078 -10.906
  426    H    GLU  82           H        GLU  82 -12.904  -2.019 -13.414
  427    HA   GLU  82           HA       GLU  82 -10.703  -0.505 -14.095
  428    HB2  GLU  82           HB2      GLU  82 -12.712  -1.436 -15.467
  429    HB3  GLU  82           HB3      GLU  82 -13.490   0.121 -15.122
  430    HG2  GLU  82           HG2      GLU  82 -11.457   1.263 -16.062
  431    HG3  GLU  82           HG3      GLU  82 -10.773  -0.337 -16.401
  432    H    ASP  83           H        ASP  83 -13.572   0.641 -12.363
  433    HA   ASP  83           HA       ASP  83 -13.197   3.457 -12.575
  434    HB2  ASP  83           HB2      ASP  83 -14.261   1.868 -10.210
  435    HB3  ASP  83           HB3      ASP  83 -14.624   3.552 -10.608
  436    H    ARG  84           H        ARG  84 -11.653   1.023 -10.629
  437    HA   ARG  84           HA       ARG  84 -10.246   2.915  -8.824
  438    HB2  ARG  84           HB2      ARG  84  -9.899  -0.099  -8.922
  439    HB3  ARG  84           HB3      ARG  84  -9.620   1.015  -7.591
  440    HG2  ARG  84           HG2      ARG  84 -12.170   1.380  -7.529
  441    HG3  ARG  84           HG3      ARG  84 -12.280   0.054  -8.689
  442    HD2  ARG  84           HD2      ARG  84 -12.516  -1.170  -6.761
  443    HD3  ARG  84           HD3      ARG  84 -10.767  -1.232  -6.913
  444    HE   ARG  84           HE       ARG  84 -11.968   1.007  -5.340
  445   HH11  ARG  84          HH11      ARG  84 -10.381  -2.185  -4.971
  446   HH12  ARG  84          HH12      ARG  84  -9.841  -1.686  -3.382
  447   HH21  ARG  84          HH21      ARG  84 -11.341   1.328  -3.321
  448   HH22  ARG  84          HH22      ARG  84 -10.358   0.118  -2.484
  449    H    LYS  85           H        LYS  85  -9.656   0.883 -11.678
  450    HA   LYS  85           HA       LYS  85  -6.766   1.178 -11.693
  451    HB2  LYS  85           HB2      LYS  85  -8.781   0.684 -13.925
  452    HB3  LYS  85           HB3      LYS  85  -7.048   0.841 -14.198
  453    HG2  LYS  85           HG2      LYS  85  -6.604  -1.029 -12.655
  454    HG3  LYS  85           HG3      LYS  85  -8.353  -1.280 -12.451
  455    HD2  LYS  85           HD2      LYS  85  -8.573  -1.780 -14.856
  456    HD3  LYS  85           HD3      LYS  85  -6.856  -1.404 -15.111
  457    HE2  LYS  85           HE2      LYS  85  -6.246  -3.249 -13.530
  458    HE3  LYS  85           HE3      LYS  85  -7.953  -3.675 -13.391
  459    HZ1  LYS  85           HZ1      LYS  85  -6.783  -5.030 -15.046
  460    HZ2  LYS  85           HZ2      LYS  85  -6.384  -3.713 -15.924
  461    HZ3  LYS  85           HZ3      LYS  85  -7.966  -4.160 -15.780
  462    H    ASN  86           H        ASN  86  -9.424   3.202 -12.832
  463    HA   ASN  86           HA       ASN  86  -7.514   5.205 -13.888
  464    HB2  ASN  86           HB2      ASN  86 -10.487   4.684 -14.259
  465    HB3  ASN  86           HB3      ASN  86  -9.649   6.052 -14.974
  466   HD21  ASN  86          HD21      ASN  86 -10.978   3.672 -16.308
  467   HD22  ASN  86          HD22      ASN  86  -9.680   3.007 -17.298
  468    H    VAL  87           H        VAL  87  -8.828   4.922 -10.840
  469    HA   VAL  87           HA       VAL  87  -9.798   7.595 -10.436
  470    HB   VAL  87           HB       VAL  87 -10.229   5.553  -9.002
  471   HG11  VAL  87          HG11      VAL  87  -8.838   5.127  -7.094
  472   HG12  VAL  87          HG12      VAL  87  -7.650   6.344  -7.620
  473   HG13  VAL  87          HG13      VAL  87  -7.946   4.890  -8.602
  474   HG21  VAL  87          HG21      VAL  87  -9.488   8.138  -7.580
  475   HG22  VAL  87          HG22      VAL  87 -10.584   6.874  -6.985
  476   HG23  VAL  87          HG23      VAL  87 -11.023   7.807  -8.421
  477    H    GLU  88           H        GLU  88  -8.856   9.435  -9.680
  478    HA   GLU  88           HA       GLU  88  -5.968   9.822 -10.072
  479    HB2  GLU  88           HB2      GLU  88  -8.244  11.641  -9.173
  480    HB3  GLU  88           HB3      GLU  88  -6.599  12.185  -9.413
  481    HG2  GLU  88           HG2      GLU  88  -8.346  10.959 -11.600
  482    HG3  GLU  88           HG3      GLU  88  -8.167  12.680 -11.298
  483    H    LEU  89           H        LEU  89  -4.528   9.382  -8.504
  484    HA   LEU  89           HA       LEU  89  -5.145   8.770  -5.790
  485    HB2  LEU  89           HB2      LEU  89  -2.571   9.562  -7.207
  486    HB3  LEU  89           HB3      LEU  89  -2.605   9.027  -5.539
  487    HG   LEU  89           HG       LEU  89  -3.584   7.338  -7.884
  488   HD11  LEU  89          HD11      LEU  89  -1.516   6.062  -7.596
  489   HD12  LEU  89          HD12      LEU  89  -0.984   7.179  -6.316
  490   HD13  LEU  89          HD13      LEU  89  -1.162   7.746  -7.990
  491   HD21  LEU  89          HD21      LEU  89  -3.063   6.653  -4.951
  492   HD22  LEU  89          HD22      LEU  89  -3.385   5.468  -6.228
  493   HD23  LEU  89          HD23      LEU  89  -4.638   6.623  -5.779
  494    H    LEU  90           H        LEU  90  -5.260   9.940  -3.941
  495    HA   LEU  90           HA       LEU  90  -5.481  12.803  -3.984
  496    HB2  LEU  90           HB2      LEU  90  -5.239  10.766  -1.751
  497    HB3  LEU  90           HB3      LEU  90  -5.482  12.482  -1.440
  498    HG   LEU  90           HG       LEU  90  -7.395  10.867  -3.181
  499   HD11  LEU  90          HD11      LEU  90  -7.564  11.475  -0.202
  500   HD12  LEU  90          HD12      LEU  90  -7.361   9.879  -0.970
  501   HD13  LEU  90          HD13      LEU  90  -8.864  10.771  -1.195
  502   HD21  LEU  90          HD21      LEU  90  -8.974  12.667  -2.680
  503   HD22  LEU  90          HD22      LEU  90  -7.531  13.339  -3.442
  504   HD23  LEU  90          HD23      LEU  90  -7.753  13.488  -1.689
  505    H    GLY  91           H        GLY  91  -2.717  10.745  -3.436
  506    HA2  GLY  91           HA2      GLY  91  -0.870  12.917  -3.818
  507    HA3  GLY  91           HA3      GLY  91  -0.911  12.373  -2.139
  508    H    LYS  92           H        LYS  92   1.383  12.085  -2.909
  509    HA   LYS  92           HA       LYS  92   2.167   9.786  -4.442
  510    HB2  LYS  92           HB2      LYS  92   3.368  12.057  -3.783
  511    HB3  LYS  92           HB3      LYS  92   3.845  11.181  -2.337
  512    HG2  LYS  92           HG2      LYS  92   5.605  11.084  -3.906
  513    HG3  LYS  92           HG3      LYS  92   4.849   9.475  -3.917
  514    HD2  LYS  92           HD2      LYS  92   3.652  10.054  -5.994
  515    HD3  LYS  92           HD3      LYS  92   4.385  11.669  -5.968
  516    HE2  LYS  92           HE2      LYS  92   6.630  10.667  -6.097
  517    HE3  LYS  92           HE3      LYS  92   5.927   9.041  -6.051
  518    HZ1  LYS  92           HZ1      LYS  92   6.504   9.781  -8.282
  519    HZ2  LYS  92           HZ2      LYS  92   5.410  11.010  -8.218
  520    HZ3  LYS  92           HZ3      LYS  92   4.890   9.455  -8.177
  521    H    MET  93           H        MET  93   3.333   7.917  -3.700
  522    HA   MET  93           HA       MET  93   1.751   6.399  -1.850
  523    HB2  MET  93           HB2      MET  93   2.735   5.624  -4.046
  524    HB3  MET  93           HB3      MET  93   4.308   5.548  -3.267
  525    HG2  MET  93           HG2      MET  93   3.290   3.899  -1.601
  526    HG3  MET  93           HG3      MET  93   1.793   3.997  -2.514
  527    HE1  MET  93           HE1      MET  93   5.717   3.456  -3.322
  528    HE2  MET  93           HE2      MET  93   5.639   1.714  -3.674
  529    HE3  MET  93           HE3      MET  93   5.195   2.309  -2.062
  530    H    TYR  94           H        TYR  94   2.473   7.974   0.021
  531    HA   TYR  94           HA       TYR  94   4.873   7.846   1.341
  532    HB2  TYR  94           HB2      TYR  94   3.512   9.314   2.374
  533    HB3  TYR  94           HB3      TYR  94   2.075   8.364   2.117
  534    HD1  TYR  94           HD1      TYR  94   1.422   6.552   3.681
  535    HD2  TYR  94           HD2      TYR  94   4.787   9.119   4.481
  536    HE1  TYR  94           HE1      TYR  94   1.407   5.821   6.064
  537    HE2  TYR  94           HE2      TYR  94   4.789   8.358   6.842
  538    HH   TYR  94           HH       TYR  94   3.868   6.910   8.402
  539    H    LYS  95           H        LYS  95   2.298   5.317   1.902
  540    HA   LYS  95           HA       LYS  95   4.384   3.332   2.372
  541    HB2  LYS  95           HB2      LYS  95   4.089   4.776   4.560
  542    HB3  LYS  95           HB3      LYS  95   2.606   3.856   4.780
  543    HG2  LYS  95           HG2      LYS  95   3.842   1.791   4.941
  544    HG3  LYS  95           HG3      LYS  95   5.328   2.547   4.355
  545    HD2  LYS  95           HD2      LYS  95   3.999   3.404   6.926
  546    HD3  LYS  95           HD3      LYS  95   5.179   2.085   6.855
  547    HE2  LYS  95           HE2      LYS  95   6.820   3.731   5.854
  548    HE3  LYS  95           HE3      LYS  95   5.635   5.005   6.131
  549    HZ1  LYS  95           HZ1      LYS  95   7.017   3.364   8.186
  550    HZ2  LYS  95           HZ2      LYS  95   5.718   4.300   8.552
  551    HZ3  LYS  95           HZ3      LYS  95   7.104   4.984   7.990
  552    H    THR  96           H        THR  96   3.552   1.162   2.693
  553    HA   THR  96           HA       THR  96   0.645   0.736   2.136
  554    HB   THR  96           HB       THR  96   2.871  -0.642   0.583
  555    HG1  THR  96           HG1      THR  96   2.400   1.572   0.108
  556   HG21  THR  96          HG21      THR  96   1.064  -1.444  -0.866
  557   HG22  THR  96          HG22      THR  96  -0.155  -0.695   0.184
  558   HG23  THR  96          HG23      THR  96   0.815  -2.064   0.752
  559    H    TYR  97           H        TYR  97  -0.132  -1.210   2.710
  560    HA   TYR  97           HA       TYR  97   1.419  -2.911   4.623
  561    HB2  TYR  97           HB2      TYR  97  -1.465  -1.965   5.015
  562    HB3  TYR  97           HB3      TYR  97  -0.458  -2.843   6.138
  563    HD1  TYR  97           HD1      TYR  97  -0.876   0.450   4.432
  564    HD2  TYR  97           HD2      TYR  97   1.039  -1.714   7.630
  565    HE1  TYR  97           HE1      TYR  97   0.133   2.551   5.257
  566    HE2  TYR  97           HE2      TYR  97   1.937   0.409   8.518
  567    HH   TYR  97           HH       TYR  97   1.906   2.719   8.350
  568    H    PHE  98           H        PHE  98   0.919  -5.071   4.612
  569    HA   PHE  98           HA       PHE  98  -1.048  -6.065   2.565
  570    HB2  PHE  98           HB2      PHE  98   1.844  -6.810   3.053
  571    HB3  PHE  98           HB3      PHE  98   0.755  -7.760   2.066
  572    HD1  PHE  98           HD1      PHE  98   2.611  -4.533   2.245
  573    HD2  PHE  98           HD2      PHE  98   0.079  -7.091  -0.112
  574    HE1  PHE  98           HE1      PHE  98   3.130  -3.190   0.206
  575    HE2  PHE  98           HE2      PHE  98   0.636  -5.767  -2.151
  576    HZ   PHE  98           HZ       PHE  98   2.187  -3.850  -1.989
  577    H    PHE  99           H        PHE  99  -2.093  -7.936   2.924
  578    HA   PHE  99           HA       PHE  99  -1.989  -9.008   5.706
  579    HB2  PHE  99           HB2      PHE  99  -4.413  -8.277   4.025
  580    HB3  PHE  99           HB3      PHE  99  -4.423  -8.874   5.677
  581    HD1  PHE  99           HD1      PHE  99  -3.413  -5.965   3.538
  582    HD2  PHE  99           HD2      PHE  99  -4.256  -7.366   7.521
  583    HE1  PHE  99           HE1      PHE  99  -3.184  -3.656   4.392
  584    HE2  PHE  99           HE2      PHE  99  -4.127  -5.026   8.354
  585    HZ   PHE  99           HZ       PHE  99  -3.533  -3.182   6.810
  586    H    LYS 100           H        LYS 100  -2.186 -11.216   5.946
  587    HA   LYS 100           HA       LYS 100  -2.409 -12.854   3.487
  588    HB2  LYS 100           HB2      LYS 100  -1.868 -13.842   6.306
  589    HB3  LYS 100           HB3      LYS 100  -1.929 -14.805   4.839
  590    HG2  LYS 100           HG2      LYS 100   0.257 -14.607   4.988
  591    HG3  LYS 100           HG3      LYS 100  -0.101 -13.243   3.917
  592    HD2  LYS 100           HD2      LYS 100   0.263 -11.653   5.648
  593    HD3  LYS 100           HD3      LYS 100   0.223 -12.884   6.922
  594    HE2  LYS 100           HE2      LYS 100   2.294 -12.974   4.694
  595    HE3  LYS 100           HE3      LYS 100   2.538 -11.979   6.136
  596    HZ1  LYS 100           HZ1      LYS 100   2.059 -14.913   6.221
  597    HZ2  LYS 100           HZ2      LYS 100   2.342 -13.945   7.511
  598    HZ3  LYS 100           HZ3      LYS 100   3.510 -14.205   6.392
  599    H    LYS 101           H        LYS 101  -3.602 -14.796   3.431
  600    HA   LYS 101           HA       LYS 101  -6.335 -14.717   3.389
  601    HB2  LYS 101           HB2      LYS 101  -6.308 -17.175   3.549
  602    HB3  LYS 101           HB3      LYS 101  -5.186 -16.476   2.385
  603    HG2  LYS 101           HG2      LYS 101  -3.293 -16.829   3.960
  604    HG3  LYS 101           HG3      LYS 101  -4.405 -17.558   5.128
  605    HD2  LYS 101           HD2      LYS 101  -4.965 -19.333   3.495
  606    HD3  LYS 101           HD3      LYS 101  -3.844 -18.604   2.322
  607    HE2  LYS 101           HE2      LYS 101  -1.967 -18.912   3.911
  608    HE3  LYS 101           HE3      LYS 101  -3.074 -19.607   5.103
  609    HZ1  LYS 101           HZ1      LYS 101  -3.532 -21.406   3.534
  610    HZ2  LYS 101           HZ2      LYS 101  -1.918 -21.321   3.858
  611    HZ3  LYS 101           HZ3      LYS 101  -2.485 -20.754   2.430
  612    H    GLY 102           H        GLY 102  -7.576 -13.772   4.882
  613    HA2  GLY 102           HA2      GLY 102  -9.147 -14.057   6.582
  614    HA3  GLY 102           HA3      GLY 102  -8.208 -15.376   7.273
  615    H    GLU 103           H        GLU 103  -6.143 -12.715   6.802
  616    HA   GLU 103           HA       GLU 103  -6.101 -12.093   9.690
  617    HB2  GLU 103           HB2      GLU 103  -4.406 -11.025   7.404
  618    HB3  GLU 103           HB3      GLU 103  -4.064 -10.845   9.116
  619    HG2  GLU 103           HG2      GLU 103  -4.112 -13.552   7.691
  620    HG3  GLU 103           HG3      GLU 103  -2.691 -12.545   7.872
  621    H    SER 104           H        SER 104  -6.033  -9.876  10.464
  622    HA   SER 104           HA       SER 104  -7.023  -7.691   8.713
  623    HB2  SER 104           HB2      SER 104  -8.334  -8.336  11.356
  624    HB3  SER 104           HB3      SER 104  -8.578  -6.873  10.407
  625    HG   SER 104           HG       SER 104  -9.302  -9.527   9.743
  626    H    LYS 105           H        LYS 105  -4.416  -8.490  10.060
  627    HA   LYS 105           HA       LYS 105  -3.725  -5.668  10.495
  628    HB2  LYS 105           HB2      LYS 105  -4.062  -6.626  12.748
  629    HB3  LYS 105           HB3      LYS 105  -2.814  -7.844  12.419
  630    HG2  LYS 105           HG2      LYS 105  -1.095  -6.239  12.410
  631    HG3  LYS 105           HG3      LYS 105  -2.188  -4.873  12.241
  632    HD2  LYS 105           HD2      LYS 105  -1.697  -4.752  14.521
  633    HD3  LYS 105           HD3      LYS 105  -3.172  -5.709  14.574
  634    HE2  LYS 105           HE2      LYS 105  -1.677  -7.781  14.436
  635    HE3  LYS 105           HE3      LYS 105  -0.294  -6.682  14.610
  636    HZ1  LYS 105           HZ1      LYS 105  -0.902  -7.527  16.776
  637    HZ2  LYS 105           HZ2      LYS 105  -2.477  -7.092  16.582
  638    HZ3  LYS 105           HZ3      LYS 105  -1.337  -5.934  16.737
  639    H    SER 106           H        SER 106  -1.711  -5.197   9.582
  640    HA   SER 106           HA       SER 106  -0.909  -7.143   7.588
  641    HB2  SER 106           HB2      SER 106   0.659  -5.528   6.766
  642    HB3  SER 106           HB3      SER 106  -0.867  -4.737   7.170
  643    HG   SER 106           HG       SER 106   1.647  -4.614   8.497
  644    H    SER 107           H        SER 107   1.055  -8.219   7.237
  645    HA   SER 107           HA       SER 107   3.133  -8.134   9.404
  646    HB2  SER 107           HB2      SER 107   3.693 -10.525   8.467
  647    HB3  SER 107           HB3      SER 107   2.465 -10.295   9.705
  648    HG   SER 107           HG       SER 107   1.083 -11.078   8.428
  649    H    TYR 108           H        TYR 108   2.526  -7.369   6.218
  650    HA   TYR 108           HA       TYR 108   5.427  -7.034   5.713
  651    HB2  TYR 108           HB2      TYR 108   4.853  -8.968   4.417
  652    HB3  TYR 108           HB3      TYR 108   3.417  -8.201   3.781
  653    HD1  TYR 108           HD1      TYR 108   7.143  -7.715   3.866
  654    HD2  TYR 108           HD2      TYR 108   3.531  -7.415   1.575
  655    HE1  TYR 108           HE1      TYR 108   8.484  -7.072   1.824
  656    HE2  TYR 108           HE2      TYR 108   4.838  -6.782  -0.425
  657    HH   TYR 108           HH       TYR 108   6.975  -6.614  -1.357
  658    H    VAL 109           H        VAL 109   5.953  -5.151   4.856
  659    HA   VAL 109           HA       VAL 109   3.921  -3.118   4.153
  660    HB   VAL 109           HB       VAL 109   5.199  -1.548   5.782
  661   HG11  VAL 109          HG11      VAL 109   3.413  -3.659   7.000
  662   HG12  VAL 109          HG12      VAL 109   2.897  -2.167   6.150
  663   HG13  VAL 109          HG13      VAL 109   3.811  -2.061   7.677
  664   HG21  VAL 109          HG21      VAL 109   6.247  -2.464   7.681
  665   HG22  VAL 109          HG22      VAL 109   6.907  -3.375   6.293
  666   HG23  VAL 109          HG23      VAL 109   5.693  -4.120   7.326
  667    H    ILE 110           H        ILE 110   4.814  -1.217   3.235
  668    HA   ILE 110           HA       ILE 110   7.646  -1.383   2.278
  669    HB   ILE 110           HB       ILE 110   5.243  -1.062   0.497
  670   HG12  ILE 110          HG12      ILE 110   6.772  -3.589   1.134
  671   HG13  ILE 110          HG13      ILE 110   5.049  -3.323   1.160
  672   HG21  ILE 110          HG21      ILE 110   8.144  -1.625  -0.294
  673   HG22  ILE 110          HG22      ILE 110   7.393  -0.010  -0.313
  674   HG23  ILE 110          HG23      ILE 110   6.794  -1.260  -1.380
  675   HD11  ILE 110          HD11      ILE 110   5.451  -4.660  -0.712
  676   HD12  ILE 110          HD12      ILE 110   6.869  -3.725  -1.189
  677   HD13  ILE 110          HD13      ILE 110   5.214  -3.047  -1.393
  678    H    ASN 111           H        ASN 111   8.558   0.586   2.035
  679    HA   ASN 111           HA       ASN 111   6.930   2.962   2.846
  680    HB2  ASN 111           HB2      ASN 111   9.933   2.469   2.942
  681    HB3  ASN 111           HB3      ASN 111   9.093   3.880   3.578
  682   HD21  ASN 111          HD21      ASN 111  10.843   2.077   4.985
  683   HD22  ASN 111          HD22      ASN 111   9.879   1.531   6.358
  684    H    GLY 112           H        GLY 112   6.868   4.778   1.550
  685    HA2  GLY 112           HA2      GLY 112   8.525   4.829  -0.935
  686    HA3  GLY 112           HA3      GLY 112   6.775   4.704  -1.084
  687    HA   PRO 113           HA       PRO 113   8.419   9.065  -0.956
  688    HB2  PRO 113           HB2      PRO 113   7.402  10.007  -3.329
  689    HB3  PRO 113           HB3      PRO 113   8.924   9.107  -3.176
  690    HG2  PRO 113           HG2      PRO 113   6.215   7.927  -3.889
  691    HG3  PRO 113           HG3      PRO 113   7.750   7.768  -4.768
  692    HD2  PRO 113           HD2      PRO 113   6.876   5.909  -2.995
  693    HD3  PRO 113           HD3      PRO 113   8.615   6.344  -3.033
  694    H    GLY 114           H        GLY 114   7.387  10.617   0.112
  695    HA2  GLY 114           HA2      GLY 114   5.005  11.864  -0.392
  696    HA3  GLY 114           HA3      GLY 114   4.504  10.546   0.662
  697    H    LYS 115           H        LYS 115   7.010  10.729   2.331
  698    HA   LYS 115           HA       LYS 115   7.870  11.748   4.143
  699    HB2  LYS 115           HB2      LYS 115   8.058  13.618   2.312
  700    HB3  LYS 115           HB3      LYS 115   6.884  14.472   3.291
  701    HG2  LYS 115           HG2      LYS 115   9.564  13.432   4.325
  702    HG3  LYS 115           HG3      LYS 115   9.327  15.010   3.588
  703    HD2  LYS 115           HD2      LYS 115   7.589  15.471   5.423
  704    HD3  LYS 115           HD3      LYS 115   8.267  14.048   6.252
  705    HE2  LYS 115           HE2      LYS 115  10.489  15.034   6.279
  706    HE3  LYS 115           HE3      LYS 115   9.934  16.384   5.274
  707    HZ1  LYS 115           HZ1      LYS 115   8.412  17.001   7.083
  708    HZ2  LYS 115           HZ2      LYS 115   9.996  17.125   7.520
  709    HZ3  LYS 115           HZ3      LYS 115   9.092  15.861   8.068
  710    H    THR 116           H        THR 116   4.453  12.675   3.615
  711    HA   THR 116           HA       THR 116   3.812  11.677   6.252
  712    HB   THR 116           HB       THR 116   4.501  13.886   6.993
  713    HG1  THR 116           HG1      THR 116   2.791  14.249   8.139
  714   HG21  THR 116          HG21      THR 116   2.526  15.003   4.956
  715   HG22  THR 116          HG22      THR 116   4.288  15.246   5.001
  716   HG23  THR 116          HG23      THR 116   3.271  15.925   6.277
  717    H    ASN 117           H        ASN 117   1.496  11.643   6.618
  718    HA   ASN 117           HA       ASN 117  -0.169  11.576   4.172
  719    HB2  ASN 117           HB2      ASN 117  -0.956  11.180   7.098
  720    HB3  ASN 117           HB3      ASN 117  -1.944  10.809   5.676
  721   HD21  ASN 117          HD21      ASN 117  -0.629   9.387   3.995
  722   HD22  ASN 117          HD22      ASN 117   0.406   8.149   4.720
  723    H    GLU 118           H        GLU 118   0.510  13.759   6.862
  724    HA   GLU 118           HA       GLU 118  -1.926  15.347   6.442
  725    HB2  GLU 118           HB2      GLU 118   0.305  15.710   8.475
  726    HB3  GLU 118           HB3      GLU 118  -1.268  16.526   8.440
  727    HG2  GLU 118           HG2      GLU 118  -2.292  14.139   8.541
  728    HG3  GLU 118           HG3      GLU 118  -0.685  13.608   9.024
  729    H    TYR 119           H        TYR 119  -0.763  15.504   4.216
  730    HA   TYR 119           HA       TYR 119   0.079  16.601   2.509
  731    HB2  TYR 119           HB2      TYR 119  -0.536  18.982   2.285
  732    HB3  TYR 119           HB3      TYR 119  -1.803  17.850   2.662
  733    HD1  TYR 119           HD1      TYR 119   0.341  20.521   4.193
  734    HD2  TYR 119           HD2      TYR 119  -3.222  18.125   4.526
  735    HE1  TYR 119           HE1      TYR 119  -0.485  21.993   6.034
  736    HE2  TYR 119           HE2      TYR 119  -4.044  19.578   6.351
  737    HH   TYR 119           HH       TYR 119  -3.693  21.431   7.554
  738    H    ALA 120           H        ALA 120   1.712  17.678   1.418
  739    HA   ALA 120           HA       ALA 120   3.934  18.778   3.045
  740    HB1  ALA 120           HB1      ALA 120   3.973  16.252   2.963
  741    HB2  ALA 120           HB2      ALA 120   5.382  16.960   2.164
  742    HB3  ALA 120           HB3      ALA 120   4.014  16.340   1.199
  743    H    TYR 121           H        TYR 121   2.260  19.906   0.750
  744    HA   TYR 121           HA       TYR 121   4.575  21.123  -0.620
  745    HB2  TYR 121           HB2      TYR 121   4.025  19.125  -1.994
  746    HB3  TYR 121           HB3      TYR 121   2.418  19.780  -2.270
  747    HD1  TYR 121           HD1      TYR 121   6.001  20.971  -2.434
  748    HD2  TYR 121           HD2      TYR 121   2.149  20.835  -4.364
  749    HE1  TYR 121           HE1      TYR 121   6.900  22.332  -4.322
  750    HE2  TYR 121           HE2      TYR 121   3.061  22.147  -6.273
  751    HH   TYR 121           HH       TYR 121   4.956  23.063  -7.223
  752    H1   ACE   6           H1       ACE   6  23.004  -0.690  -5.206
  753    H2   ACE   6           H2       ACE   6  21.496  -0.045  -4.524
  754    H3   ACE   6           H3       ACE   6  22.891   1.028  -4.758
  755    H    THR   7           H        THR   7  20.792  -1.195  -6.601
  756    HA   THR   7           HA       THR   7  20.693   0.746  -8.857
  757    HB   THR   7           HB       THR   7  22.561  -0.902  -9.138
  758    HG1  THR   7           HG1      THR   7  20.554  -1.175 -11.107
  759   HG21  THR   7          HG21      THR   7  20.365  -2.961  -9.598
  760   HG22  THR   7          HG22      THR   7  22.116  -3.188  -9.788
  761   HG23  THR   7          HG23      THR   7  21.440  -2.910  -8.184
  762    H    THR   8           H        THR   8  18.791  -0.494  -6.773
  763    HA   THR   8           HA       THR   8  16.471  -0.439  -8.512
  764    HB   THR   8           HB       THR   8  17.637  -2.961  -8.025
  765    HG1  THR   8           HG1      THR   8  16.638  -2.900  -9.773
  766   HG21  THR   8          HG21      THR   8  16.498  -3.167  -5.880
  767   HG22  THR   8          HG22      THR   8  14.933  -2.917  -6.687
  768   HG23  THR   8          HG23      THR   8  15.924  -4.328  -7.090
  769    HA   PRO   9           HA       PRO   9  14.194   1.130  -4.976
  770    HB2  PRO   9           HB2      PRO   9  12.281  -1.107  -5.684
  771    HB3  PRO   9           HB3      PRO   9  11.885   0.579  -5.203
  772    HG2  PRO   9           HG2      PRO   9  11.864  -0.068  -7.807
  773    HG3  PRO   9           HG3      PRO   9  12.718   1.427  -7.299
  774    HD2  PRO   9           HD2      PRO   9  13.876  -1.286  -7.950
  775    HD3  PRO   9           HD3      PRO   9  14.461   0.337  -8.418
  776    H    ASP  10           H        ASP  10  13.423   0.673  -2.820
  777    HA   ASP  10           HA       ASP  10  14.496  -1.769  -1.554
  778    HB2  ASP  10           HB2      ASP  10  14.505   0.611  -0.501
  779    HB3  ASP  10           HB3      ASP  10  12.807   0.354  -0.165
  780    H2   TYS  11           H2       TYS  11  13.364  -3.587  -1.776
  781    HA   TYS  11           HA       TYS  11  10.547  -3.577  -2.622
  782    HB2  TYS  11           HB2      TYS  11  12.926  -5.360  -3.219
  783    HB3  TYS  11           HB3      TYS  11  11.315  -6.059  -3.210
  784    HD1  TYS  11           HD1      TYS  11   9.428  -4.615  -4.218
  785    HD2  TYS  11           HD2      TYS  11  13.542  -4.470  -5.422
  786    HE1  TYS  11           HE1      TYS  11   8.741  -3.485  -6.185
  787    HE2  TYS  11           HE2      TYS  11  12.822  -3.511  -7.593
  788    H    GLY  12           H        GLY  12  10.402  -2.994  -0.678
  789    HA2  GLY  12           HA2      GLY  12   8.939  -3.163   1.083
  790    HA3  GLY  12           HA3      GLY  12   8.578  -4.785   0.521
  791    H    HIS  13           H        HIS  13   8.438  -4.544   3.225
  792    HA   HIS  13           HA       HIS  13  10.557  -6.406   4.024
  793    HB2  HIS  13           HB2      HIS  13  11.106  -5.217   6.055
  794    HB3  HIS  13           HB3      HIS  13  11.669  -4.339   4.632
  795    HD1  HIS  13           HD1      HIS  13  10.053  -2.169   3.872
  796    HD2  HIS  13           HD2      HIS  13   9.359  -3.910   7.651
  797    HE1  HIS  13           HE1      HIS  13   8.395  -0.626   5.114
  798    HE2  HIS  13           HE2      HIS  13   8.339  -1.480   7.571
  799    H2   TYS  14           H2       TYS  14  10.058  -7.625   5.847
  800    HA   TYS  14           HA       TYS  14   7.202  -7.506   6.659
  801    HB2  TYS  14           HB2      TYS  14   9.317  -9.662   7.011
  802    HB3  TYS  14           HB3      TYS  14   7.773  -9.678   7.822
  803    HD1  TYS  14           HD1      TYS  14   9.077  -9.464   4.190
  804    HD2  TYS  14           HD2      TYS  14   5.924 -10.730   6.896
  805    HE1  TYS  14           HE1      TYS  14   8.216 -10.902   2.522
  806    HE2  TYS  14           HE2      TYS  14   5.043 -12.164   5.157
  807    H    ASP  15           H        ASP  15   6.460  -7.308   8.624
  808    HA   ASP  15           HA       ASP  15   8.146  -6.449  10.833
  809    HB2  ASP  15           HB2      ASP  15   7.897  -4.515   8.920
  810    HB3  ASP  15           HB3      ASP  15   6.458  -4.180   9.796
  811    H    ASP  16           H        ASP  16   6.861  -5.395  12.516
  812    HA   ASP  16           HA       ASP  16   3.929  -5.965  12.622
  813    HB2  ASP  16           HB2      ASP  16   6.011  -6.909  14.642
  814    HB3  ASP  16           HB3      ASP  16   4.274  -6.881  14.939
  815    H    LYS  17           H        LYS  17   6.736  -4.057  13.675
  816    HA   LYS  17           HA       LYS  17   5.414  -2.881  15.955
  817    HB2  LYS  17           HB2      LYS  17   7.359  -1.689  16.322
  818    HB3  LYS  17           HB3      LYS  17   7.930  -3.159  15.539
  819    HG2  LYS  17           HG2      LYS  17   7.979  -1.789  13.341
  820    HG3  LYS  17           HG3      LYS  17   7.629  -0.379  14.340
  821    HD2  LYS  17           HD2      LYS  17   9.937  -0.290  14.157
  822    HD3  LYS  17           HD3      LYS  17   9.683  -0.994  15.740
  823    HE2  LYS  17           HE2      LYS  17  11.484  -2.167  14.658
  824    HE3  LYS  17           HE3      LYS  17  10.112  -3.273  14.773
  825    HZ1  LYS  17           HZ1      LYS  17  10.736  -1.695  12.328
  826    HZ2  LYS  17           HZ2      LYS  17   9.648  -2.890  12.434
  827    HZ3  LYS  17           HZ3      LYS  17  11.226  -3.262  12.538
  828    H    ASP  18           H        ASP  18   5.445  -2.074  12.632
  829    HA   ASP  18           HA       ASP  18   4.108   0.569  13.051
  830    HB2  ASP  18           HB2      ASP  18   5.706  -0.620  10.746
  831    HB3  ASP  18           HB3      ASP  18   4.899   0.934  10.670
  832    H    THR  19           H        THR  19   2.937  -2.436  12.660
  833    HA   THR  19           HA       THR  19   1.677  -2.571  10.157
  834    HB   THR  19           HB       THR  19   1.795  -4.544  11.623
  835    HG1  THR  19           HG1      THR  19   0.256  -4.518  10.088
  836   HG21  THR  19          HG21      THR  19  -0.364  -3.364  13.340
  837   HG22  THR  19          HG22      THR  19   1.345  -3.310  13.796
  838   HG23  THR  19          HG23      THR  19   0.581  -4.878  13.544
  839    H    LEU  20           H        LEU  20  -0.506  -2.388   9.426
  840    HA   LEU  20           HA       LEU  20  -2.148  -0.302  10.739
  841    HB2  LEU  20           HB2      LEU  20  -1.652   0.200   8.394
  842    HB3  LEU  20           HB3      LEU  20  -2.119  -1.436   7.917
  843    HG   LEU  20           HG       LEU  20  -4.448  -0.919   8.655
  844   HD11  LEU  20          HD11      LEU  20  -4.050   0.887  10.250
  845   HD12  LEU  20          HD12      LEU  20  -5.094   1.459   8.947
  846   HD13  LEU  20          HD13      LEU  20  -3.376   1.913   8.963
  847   HD21  LEU  20          HD21      LEU  20  -3.209   0.942   6.591
  848   HD22  LEU  20          HD22      LEU  20  -4.939   0.549   6.728
  849   HD23  LEU  20          HD23      LEU  20  -3.768  -0.727   6.328
  850    H    ASP  21           H        ASP  21  -3.634  -1.070  11.956
  851    HA   ASP  21           HA       ASP  21  -4.473  -3.876  11.978
  852    HB2  ASP  21           HB2      ASP  21  -5.105  -3.327  14.289
  853    HB3  ASP  21           HB3      ASP  21  -3.445  -2.888  13.952
  854    H    LEU  22           H        LEU  22  -6.066  -4.171  10.561
  855    HA   LEU  22           HA       LEU  22  -8.369  -2.421  10.110
  856    HB2  LEU  22           HB2      LEU  22  -7.007  -4.825   8.929
  857    HB3  LEU  22           HB3      LEU  22  -8.738  -4.802   8.757
  858    HG   LEU  22           HG       LEU  22  -8.606  -2.634   7.572
  859   HD11  LEU  22          HD11      LEU  22  -5.603  -3.000   8.019
  860   HD12  LEU  22          HD12      LEU  22  -6.612  -1.643   8.569
  861   HD13  LEU  22          HD13      LEU  22  -6.313  -1.875   6.837
  862   HD21  LEU  22          HD21      LEU  22  -8.391  -4.839   6.419
  863   HD22  LEU  22          HD22      LEU  22  -6.618  -4.713   6.553
  864   HD23  LEU  22          HD23      LEU  22  -7.538  -3.544   5.571
  865    H    ASN  23           H        ASN  23  -7.803  -4.668  12.570
  866    HA   ASN  23           HA       ASN  23  -9.862  -6.441  12.406
  867    HB2  ASN  23           HB2      ASN  23  -8.865  -5.459  15.073
  868    HB3  ASN  23           HB3      ASN  23  -9.337  -7.092  14.613
  869   HD21  ASN  23          HD21      ASN  23  -6.865  -4.662  14.587
  870   HD22  ASN  23          HD22      ASN  23  -5.557  -5.757  14.128
  871    H    THR  24           H        THR  24 -11.688  -6.755  13.316
  872    HA   THR  24           HA       THR  24 -13.356  -4.657  14.605
  873    HB   THR  24           HB       THR  24 -13.240  -4.078  12.282
  874    HG1  THR  24           HG1      THR  24 -15.668  -5.118  13.171
  875   HG21  THR  24          HG21      THR  24 -14.231  -5.562  10.515
  876   HG22  THR  24          HG22      THR  24 -12.700  -6.128  11.194
  877   HG23  THR  24          HG23      THR  24 -14.215  -6.893  11.708
  878    HA   PRO  25           HA       PRO  25 -15.135  -9.132  14.974
  879    HB2  PRO  25           HB2      PRO  25 -13.988 -10.275  17.172
  880    HB3  PRO  25           HB3      PRO  25 -13.276 -10.377  15.533
  881    HG2  PRO  25           HG2      PRO  25 -12.539  -8.454  17.762
  882    HG3  PRO  25           HG3      PRO  25 -11.465  -9.430  16.692
  883    HD2  PRO  25           HD2      PRO  25 -12.011  -6.796  16.165
  884    HD3  PRO  25           HD3      PRO  25 -11.733  -8.038  14.910
  885    H    VAL  26           H        VAL  26 -16.796  -9.705  16.316
  886    HA   VAL  26           HA       VAL  26 -17.142  -8.725  18.994
  887    HB   VAL  26           HB       VAL  26 -17.813  -6.709  17.684
  888   HG11  VAL  26          HG11      VAL  26 -20.139  -8.372  16.674
  889   HG12  VAL  26          HG12      VAL  26 -18.769  -7.801  15.696
  890   HG13  VAL  26          HG13      VAL  26 -19.887  -6.637  16.418
  891   HG21  VAL  26          HG21      VAL  26 -19.627  -6.045  18.938
  892   HG22  VAL  26          HG22      VAL  26 -18.851  -7.273  19.948
  893   HG23  VAL  26          HG23      VAL  26 -20.332  -7.652  19.034
  894    H    ASP  27           H        ASP  27 -17.344 -11.198  17.293
  895    HA   ASP  27           HA       ASP  27 -18.499 -13.115  16.961
  896    HB2  ASP  27           HB2      ASP  27 -19.365 -12.520  19.805
  897    HB3  ASP  27           HB3      ASP  27 -19.695 -14.037  18.982
  898    H    LYS  28           H        LYS  28 -20.686 -10.471  17.523
  899    HA   LYS  28           HA       LYS  28 -22.581 -11.645  15.579
  900    HB2  LYS  28           HB2      LYS  28 -23.308 -12.426  17.844
  901    HB3  LYS  28           HB3      LYS  28 -23.483 -10.740  18.340
  902    HG2  LYS  28           HG2      LYS  28 -25.204 -10.439  16.519
  903    HG3  LYS  28           HG3      LYS  28 -24.964 -12.125  16.044
  904    HD2  LYS  28           HD2      LYS  28 -26.973 -11.898  17.383
  905    HD3  LYS  28           HD3      LYS  28 -25.781 -12.873  18.264
  906    HE2  LYS  28           HE2      LYS  28 -25.186 -10.950  19.663
  907    HE3  LYS  28           HE3      LYS  28 -26.213  -9.885  18.690
  908    HZ1  LYS  28           HZ1      LYS  28 -27.173 -12.149  20.346
  909    HZ2  LYS  28           HZ2      LYS  28 -27.333 -10.542  20.695
  910    HZ3  LYS  28           HZ3      LYS  28 -28.130 -11.190  19.403
  911    HN1  NH2  29           HN1      NH2  29 -21.684  -9.997  14.243
  912    HN2  NH2  29           HN2      NH2  29 -22.146  -8.321  14.467
  Start of MODEL    3
    1    H1   ASN  31           H1       ASN  31  11.359  18.387 -11.191
    2    H2   ASN  31           H2       ASN  31  12.049  19.378 -12.322
    3    H3   ASN  31           H3       ASN  31  12.902  18.130 -11.688
    4    HA   ASN  31           HA       ASN  31  10.498  17.854 -13.350
    5    HB2  ASN  31           HB2      ASN  31  13.336  17.082 -14.096
    6    HB3  ASN  31           HB3      ASN  31  11.905  17.033 -15.126
    7   HD21  ASN  31          HD21      ASN  31  14.508  18.453 -15.474
    8   HD22  ASN  31          HD22      ASN  31  14.128  20.171 -15.533
    9    H    SER  32           H        SER  32   9.393  16.289 -12.313
   10    HA   SER  32           HA       SER  32  10.540  13.587 -12.188
   11    HB2  SER  32           HB2      SER  32  11.223  14.624 -10.003
   12    HB3  SER  32           HB3      SER  32   9.520  14.899  -9.629
   13    HG   SER  32           HG       SER  32  10.535  12.959  -8.771
   14    H    GLY  33           H        GLY  33   7.757  15.683 -11.234
   15    HA2  GLY  33           HA2      GLY  33   5.497  15.453 -11.636
   16    HA3  GLY  33           HA3      GLY  33   5.842  14.136 -12.753
   17    H    LEU  34           H        LEU  34   3.684  13.603 -11.590
   18    HA   LEU  34           HA       LEU  34   4.289  11.551  -9.532
   19    HB2  LEU  34           HB2      LEU  34   2.031  13.599  -9.352
   20    HB3  LEU  34           HB3      LEU  34   2.062  12.080  -8.486
   21    HG   LEU  34           HG       LEU  34   4.373  12.914  -7.537
   22   HD11  LEU  34          HD11      LEU  34   2.943  15.537  -8.175
   23   HD12  LEU  34          HD12      LEU  34   4.510  15.041  -8.836
   24   HD13  LEU  34          HD13      LEU  34   4.353  15.360  -7.112
   25   HD21  LEU  34          HD21      LEU  34   1.669  14.010  -6.657
   26   HD22  LEU  34          HD22      LEU  34   3.121  13.965  -5.647
   27   HD23  LEU  34          HD23      LEU  34   2.377  12.452  -6.184
   28    HA   PRO  35           HA       PRO  35   1.273   9.170 -12.043
   29    HB2  PRO  35           HB2      PRO  35   0.723   7.598  -9.626
   30    HB3  PRO  35           HB3      PRO  35   1.370   7.061 -11.190
   31    HG2  PRO  35           HG2      PRO  35   2.960   7.188  -8.923
   32    HG3  PRO  35           HG3      PRO  35   3.583   7.424 -10.581
   33    HD2  PRO  35           HD2      PRO  35   2.865   9.511  -8.529
   34    HD3  PRO  35           HD3      PRO  35   4.276   9.417  -9.630
   35    H    THR  36           H        THR  36  -1.074   8.683 -11.720
   36    HA   THR  36           HA       THR  36  -2.461  10.350  -9.680
   37    HB   THR  36           HB       THR  36  -1.929  11.803 -11.528
   38    HG1  THR  36           HG1      THR  36  -3.721  12.288 -10.397
   39   HG21  THR  36          HG21      THR  36  -3.127  11.625 -13.684
   40   HG22  THR  36          HG22      THR  36  -3.729  10.024 -13.215
   41   HG23  THR  36          HG23      THR  36  -1.989  10.288 -13.456
   42    H    THR  37           H        THR  37  -2.316   7.344 -11.067
   43    HA   THR  37           HA       THR  37  -5.203   6.886 -10.492
   44    HB   THR  37           HB       THR  37  -5.153   5.200 -12.422
   45    HG1  THR  37           HG1      THR  37  -3.841   5.911 -14.165
   46   HG21  THR  37          HG21      THR  37  -6.470   7.313 -12.340
   47   HG22  THR  37          HG22      THR  37  -5.982   6.833 -13.972
   48   HG23  THR  37          HG23      THR  37  -5.121   8.144 -13.134
   49    H    LEU  38           H        LEU  38  -5.685   5.239  -9.290
   50    HA   LEU  38           HA       LEU  38  -3.775   3.739  -7.928
   51    HB2  LEU  38           HB2      LEU  38  -6.381   4.238  -7.633
   52    HB3  LEU  38           HB3      LEU  38  -6.529   2.606  -8.282
   53    HG   LEU  38           HG       LEU  38  -5.202   3.560  -5.737
   54   HD11  LEU  38          HD11      LEU  38  -6.894   2.047  -4.685
   55   HD12  LEU  38          HD12      LEU  38  -7.540   1.683  -6.299
   56   HD13  LEU  38          HD13      LEU  38  -7.629   3.333  -5.648
   57   HD21  LEU  38          HD21      LEU  38  -3.763   1.743  -6.474
   58   HD22  LEU  38          HD22      LEU  38  -5.173   0.721  -6.844
   59   HD23  LEU  38          HD23      LEU  38  -4.778   1.160  -5.165
   60    H    GLY  39           H        GLY  39  -5.428   2.787 -10.971
   61    HA2  GLY  39           HA2      GLY  39  -4.685   0.074 -11.110
   62    HA3  GLY  39           HA3      GLY  39  -4.827   1.149 -12.505
   63    H    LYS  40           H        LYS  40  -2.658   2.917 -12.072
   64    HA   LYS  40           HA       LYS  40  -0.351   1.332 -12.857
   65    HB2  LYS  40           HB2      LYS  40  -0.571   4.226 -11.931
   66    HB3  LYS  40           HB3      LYS  40   0.842   3.500 -12.686
   67    HG2  LYS  40           HG2      LYS  40  -1.870   3.923 -14.020
   68    HG3  LYS  40           HG3      LYS  40  -0.409   4.855 -14.260
   69    HD2  LYS  40           HD2      LYS  40  -0.293   3.508 -16.094
   70    HD3  LYS  40           HD3      LYS  40   0.669   2.562 -14.960
   71    HE2  LYS  40           HE2      LYS  40  -1.412   1.173 -14.487
   72    HE3  LYS  40           HE3      LYS  40  -2.263   2.126 -15.707
   73    HZ1  LYS  40           HZ1      LYS  40  -1.385   0.060 -16.642
   74    HZ2  LYS  40           HZ2      LYS  40   0.139   0.449 -16.188
   75    HZ3  LYS  40           HZ3      LYS  40  -0.651   1.361 -17.337
   76    H    LEU  41           H        LEU  41  -1.363   2.756  -9.767
   77    HA   LEU  41           HA       LEU  41   1.076   2.068  -8.396
   78    HB2  LEU  41           HB2      LEU  41  -0.373   3.813  -7.539
   79    HB3  LEU  41           HB3      LEU  41  -1.714   2.678  -7.362
   80    HG   LEU  41           HG       LEU  41  -0.460   1.420  -5.655
   81   HD11  LEU  41          HD11      LEU  41   1.568   2.321  -4.657
   82   HD12  LEU  41          HD12      LEU  41   1.628   3.630  -5.854
   83   HD13  LEU  41          HD13      LEU  41   1.886   1.936  -6.343
   84   HD21  LEU  41          HD21      LEU  41  -0.579   4.387  -5.054
   85   HD22  LEU  41          HD22      LEU  41  -0.497   3.065  -3.862
   86   HD23  LEU  41          HD23      LEU  41  -1.923   3.225  -4.921
   87    H    ASP  42           H        ASP  42  -2.069   0.297  -8.679
   88    HA   ASP  42           HA       ASP  42  -1.379  -2.011  -7.142
   89    HB2  ASP  42           HB2      ASP  42  -3.638  -1.691  -7.884
   90    HB3  ASP  42           HB3      ASP  42  -3.155  -1.543  -9.567
   91    H    GLU  43           H        GLU  43  -0.718  -1.250 -10.506
   92    HA   GLU  43           HA       GLU  43   0.512  -3.734 -11.231
   93    HB2  GLU  43           HB2      GLU  43  -0.622  -2.033 -12.698
   94    HB3  GLU  43           HB3      GLU  43   0.769  -0.977 -12.483
   95    HG2  GLU  43           HG2      GLU  43   2.201  -2.700 -13.548
   96    HG3  GLU  43           HG3      GLU  43   0.786  -3.754 -13.726
   97    H    ARG  44           H        ARG  44   1.749  -0.904  -9.560
   98    HA   ARG  44           HA       ARG  44   4.544  -1.924  -9.643
   99    HB2  ARG  44           HB2      ARG  44   3.167   0.586  -8.682
  100    HB3  ARG  44           HB3      ARG  44   4.647   0.070  -7.887
  101    HG2  ARG  44           HG2      ARG  44   5.760  -0.114 -10.143
  102    HG3  ARG  44           HG3      ARG  44   4.313   0.576 -10.881
  103    HD2  ARG  44           HD2      ARG  44   5.929   1.929  -8.674
  104    HD3  ARG  44           HD3      ARG  44   6.230   2.178 -10.394
  105    HE   ARG  44           HE       ARG  44   4.053   3.115 -10.720
  106   HH11  ARG  44          HH11      ARG  44   5.061   3.211  -7.320
  107   HH12  ARG  44          HH12      ARG  44   3.681   4.189  -6.907
  108   HH21  ARG  44          HH21      ARG  44   2.668   4.689 -10.077
  109   HH22  ARG  44          HH22      ARG  44   2.468   5.039  -8.351
  110    H    LEU  45           H        LEU  45   1.917  -1.537  -7.195
  111    HA   LEU  45           HA       LEU  45   3.498  -2.570  -5.049
  112    HB2  LEU  45           HB2      LEU  45   0.495  -2.358  -5.492
  113    HB3  LEU  45           HB3      LEU  45   1.185  -2.944  -3.987
  114    HG   LEU  45           HG       LEU  45   1.704  -0.184  -5.163
  115   HD11  LEU  45          HD11      LEU  45  -0.001  -1.084  -2.813
  116   HD12  LEU  45          HD12      LEU  45  -0.611  -0.499  -4.368
  117   HD13  LEU  45          HD13      LEU  45   0.290   0.597  -3.298
  118   HD21  LEU  45          HD21      LEU  45   2.543  -1.402  -2.503
  119   HD22  LEU  45          HD22      LEU  45   2.604   0.321  -2.884
  120   HD23  LEU  45          HD23      LEU  45   3.610  -0.798  -3.797
  121    H    ARG  46           H        ARG  46   1.440  -4.339  -7.363
  122    HA   ARG  46           HA       ARG  46   1.802  -6.951  -6.113
  123    HB2  ARG  46           HB2      ARG  46   1.173  -6.029  -8.948
  124    HB3  ARG  46           HB3      ARG  46   1.298  -7.735  -8.495
  125    HG2  ARG  46           HG2      ARG  46  -0.515  -7.577  -6.929
  126    HG3  ARG  46           HG3      ARG  46  -0.585  -5.808  -7.060
  127    HD2  ARG  46           HD2      ARG  46  -1.260  -5.938  -9.373
  128    HD3  ARG  46           HD3      ARG  46  -1.112  -7.694  -9.392
  129    HE   ARG  46           HE       ARG  46  -3.210  -6.032  -8.114
  130   HH11  ARG  46          HH11      ARG  46  -2.027  -9.358  -8.542
  131   HH12  ARG  46          HH12      ARG  46  -3.675  -9.987  -8.371
  132   HH21  ARG  46          HH21      ARG  46  -5.233  -7.086  -7.809
  133   HH22  ARG  46          HH22      ARG  46  -5.303  -8.820  -8.014
  134    H    ASN  47           H        ASN  47   3.808  -4.975  -8.267
  135    HA   ASN  47           HA       ASN  47   5.836  -7.106  -8.501
  136    HB2  ASN  47           HB2      ASN  47   5.664  -4.234  -9.440
  137    HB3  ASN  47           HB3      ASN  47   7.196  -5.087  -9.377
  138   HD21  ASN  47          HD21      ASN  47   4.258  -4.723 -11.230
  139   HD22  ASN  47          HD22      ASN  47   4.603  -6.089 -12.293
  140    H    TYR  48           H        TYR  48   5.469  -4.185  -6.363
  141    HA   TYR  48           HA       TYR  48   7.783  -4.795  -4.873
  142    HB2  TYR  48           HB2      TYR  48   5.273  -3.350  -4.059
  143    HB3  TYR  48           HB3      TYR  48   6.625  -3.571  -3.045
  144    HD1  TYR  48           HD1      TYR  48   8.702  -2.346  -3.232
  145    HD2  TYR  48           HD2      TYR  48   5.353  -1.511  -5.781
  146    HE1  TYR  48           HE1      TYR  48   9.673  -0.129  -3.767
  147    HE2  TYR  48           HE2      TYR  48   6.317   0.716  -6.311
  148    HH   TYR  48           HH       TYR  48   9.332   1.902  -4.798
  149    H    LEU  49           H        LEU  49   4.697  -6.439  -4.676
  150    HA   LEU  49           HA       LEU  49   5.583  -8.038  -2.396
  151    HB2  LEU  49           HB2      LEU  49   3.426  -8.263  -4.518
  152    HB3  LEU  49           HB3      LEU  49   3.825  -9.678  -3.561
  153    HG   LEU  49           HG       LEU  49   3.143  -7.055  -2.239
  154   HD11  LEU  49          HD11      LEU  49   1.228  -7.663  -3.651
  155   HD12  LEU  49          HD12      LEU  49   0.844  -8.047  -1.961
  156   HD13  LEU  49          HD13      LEU  49   1.302  -9.346  -3.075
  157   HD21  LEU  49          HD21      LEU  49   4.201  -8.717  -0.811
  158   HD22  LEU  49          HD22      LEU  49   3.025  -9.949  -1.300
  159   HD23  LEU  49          HD23      LEU  49   2.512  -8.532  -0.354
  160    H    LYS  50           H        LYS  50   5.694  -8.708  -5.949
  161    HA   LYS  50           HA       LYS  50   6.866 -11.322  -5.519
  162    HB2  LYS  50           HB2      LYS  50   6.917  -9.571  -8.002
  163    HB3  LYS  50           HB3      LYS  50   7.317 -11.297  -7.893
  164    HG2  LYS  50           HG2      LYS  50   5.069 -11.916  -7.354
  165    HG3  LYS  50           HG3      LYS  50   4.551 -10.248  -7.193
  166    HD2  LYS  50           HD2      LYS  50   5.468 -11.576  -9.775
  167    HD3  LYS  50           HD3      LYS  50   3.797 -11.237  -9.313
  168    HE2  LYS  50           HE2      LYS  50   4.343  -8.780  -9.266
  169    HE3  LYS  50           HE3      LYS  50   5.972  -9.160  -9.842
  170    HZ1  LYS  50           HZ1      LYS  50   3.443  -9.634 -11.324
  171    HZ2  LYS  50           HZ2      LYS  50   4.900 -10.220 -11.806
  172    HZ3  LYS  50           HZ3      LYS  50   4.645  -8.614 -11.751
  173    H    LYS  51           H        LYS  51   8.352  -8.172  -6.339
  174    HA   LYS  51           HA       LYS  51  11.063  -9.121  -6.258
  175    HB2  LYS  51           HB2      LYS  51  10.226  -7.319  -7.683
  176    HB3  LYS  51           HB3      LYS  51   9.905  -6.326  -6.257
  177    HG2  LYS  51           HG2      LYS  51  12.217  -6.205  -5.714
  178    HG3  LYS  51           HG3      LYS  51  12.627  -7.504  -6.841
  179    HD2  LYS  51           HD2      LYS  51  12.123  -6.078  -8.752
  180    HD3  LYS  51           HD3      LYS  51  11.574  -4.814  -7.634
  181    HE2  LYS  51           HE2      LYS  51  13.808  -4.572  -6.696
  182    HE3  LYS  51           HE3      LYS  51  14.419  -5.886  -7.717
  183    HZ1  LYS  51           HZ1      LYS  51  13.211  -3.426  -8.849
  184    HZ2  LYS  51           HZ2      LYS  51  14.844  -3.575  -8.612
  185    HZ3  LYS  51           HZ3      LYS  51  14.067  -4.571  -9.648
  186    H    GLY  52           H        GLY  52   8.864  -8.483  -3.676
  187    HA2  GLY  52           HA2      GLY  52  11.154  -7.790  -1.860
  188    HA3  GLY  52           HA3      GLY  52   9.542  -7.133  -1.762
  189    H    THR  53           H        THR  53   8.448 -10.113  -2.151
  190    HA   THR  53           HA       THR  53   8.949 -10.974   0.656
  191    HB   THR  53           HB       THR  53   6.835 -12.003   0.601
  192    HG1  THR  53           HG1      THR  53   6.578 -11.066  -2.110
  193   HG21  THR  53          HG21      THR  53   5.314 -10.213   0.440
  194   HG22  THR  53          HG22      THR  53   6.411  -9.287  -0.628
  195   HG23  THR  53          HG23      THR  53   6.841  -9.591   1.063
  196    H    LYS  54           H        LYS  54   8.902 -13.218   1.133
  197    HA   LYS  54           HA       LYS  54  10.559 -14.841  -0.534
  198    HB2  LYS  54           HB2      LYS  54   8.916 -15.589   1.928
  199    HB3  LYS  54           HB3      LYS  54  10.178 -16.562   1.218
  200    HG2  LYS  54           HG2      LYS  54  11.874 -14.907   1.673
  201    HG3  LYS  54           HG3      LYS  54  10.707 -13.753   2.292
  202    HD2  LYS  54           HD2      LYS  54  11.251 -16.472   3.547
  203    HD3  LYS  54           HD3      LYS  54  12.038 -14.978   4.036
  204    HE2  LYS  54           HE2      LYS  54   9.059 -15.543   4.270
  205    HE3  LYS  54           HE3      LYS  54  10.253 -15.624   5.565
  206    HZ1  LYS  54           HZ1      LYS  54   9.314 -13.513   5.772
  207    HZ2  LYS  54           HZ2      LYS  54   9.313 -13.226   4.145
  208    HZ3  LYS  54           HZ3      LYS  54  10.728 -13.200   4.994
  209    H    ASN  55           H        ASN  55   7.064 -14.769   0.030
  210    HA   ASN  55           HA       ASN  55   6.464 -16.066  -2.492
  211    HB2  ASN  55           HB2      ASN  55   6.800 -18.056  -1.058
  212    HB3  ASN  55           HB3      ASN  55   5.872 -17.301   0.242
  213   HD21  ASN  55          HD21      ASN  55   4.393 -19.000   0.393
  214   HD22  ASN  55          HD22      ASN  55   3.250 -19.363  -0.893
  215    H    SER  56           H        SER  56   5.356 -14.258  -3.086
  216    HA   SER  56           HA       SER  56   3.489 -12.758  -1.614
  217    HB2  SER  56           HB2      SER  56   4.512 -11.959  -3.625
  218    HB3  SER  56           HB3      SER  56   3.834 -13.281  -4.575
  219    HG   SER  56           HG       SER  56   2.321 -11.943  -4.964
  220    H    ALA  57           H        ALA  57   2.964 -15.932  -3.101
  221    HA   ALA  57           HA       ALA  57   0.247 -15.715  -3.719
  222    HB1  ALA  57           HB1      ALA  57   0.293 -18.128  -3.930
  223    HB2  ALA  57           HB2      ALA  57   1.714 -18.244  -2.875
  224    HB3  ALA  57           HB3      ALA  57   1.851 -17.490  -4.479
  225    H    GLN  58           H        GLN  58   1.326 -15.557  -0.530
  226    HA   GLN  58           HA       GLN  58  -1.095 -16.824   0.616
  227    HB2  GLN  58           HB2      GLN  58  -0.002 -16.493   2.748
  228    HB3  GLN  58           HB3      GLN  58   1.072 -17.327   1.623
  229    HG2  GLN  58           HG2      GLN  58   2.206 -15.090   1.160
  230    HG3  GLN  58           HG3      GLN  58   1.230 -14.372   2.416
  231   HE21  GLN  58          HE21      GLN  58   4.208 -15.211   1.832
  232   HE22  GLN  58          HE22      GLN  58   4.677 -15.888   3.365
  233    H    PHE  59           H        PHE  59  -0.295 -13.755  -0.660
  234    HA   PHE  59           HA       PHE  59  -1.777 -12.234   1.380
  235    HB2  PHE  59           HB2      PHE  59  -0.189 -11.417  -1.037
  236    HB3  PHE  59           HB3      PHE  59  -1.154 -10.292  -0.087
  237    HD1  PHE  59           HD1      PHE  59  -0.660  -9.897   2.328
  238    HD2  PHE  59           HD2      PHE  59   1.946 -12.277  -0.118
  239    HE1  PHE  59           HE1      PHE  59   1.103  -9.739   4.065
  240    HE2  PHE  59           HE2      PHE  59   3.717 -12.116   1.599
  241    HZ   PHE  59           HZ       PHE  59   3.301 -10.853   3.699
  242    H    GLU  60           H        GLU  60  -3.517 -10.866   0.981
  243    HA   GLU  60           HA       GLU  60  -5.493 -11.954  -1.007
  244    HB2  GLU  60           HB2      GLU  60  -5.737 -13.070   1.132
  245    HB3  GLU  60           HB3      GLU  60  -5.674 -11.550   1.999
  246    HG2  GLU  60           HG2      GLU  60  -7.833 -10.875   1.014
  247    HG3  GLU  60           HG3      GLU  60  -7.898 -12.381   0.096
  248    H    LYS  61           H        LYS  61  -4.713  -9.230   1.224
  249    HA   LYS  61           HA       LYS  61  -5.624  -7.419  -0.876
  250    HB2  LYS  61           HB2      LYS  61  -7.181  -6.159   0.279
  251    HB3  LYS  61           HB3      LYS  61  -7.683  -7.815   0.511
  252    HG2  LYS  61           HG2      LYS  61  -7.150  -7.769   2.832
  253    HG3  LYS  61           HG3      LYS  61  -6.093  -6.363   2.667
  254    HD2  LYS  61           HD2      LYS  61  -7.845  -4.865   2.384
  255    HD3  LYS  61           HD3      LYS  61  -9.015  -6.092   1.911
  256    HE2  LYS  61           HE2      LYS  61  -7.786  -6.152   4.673
  257    HE3  LYS  61           HE3      LYS  61  -9.090  -5.019   4.305
  258    HZ1  LYS  61           HZ1      LYS  61  -9.306  -7.964   3.952
  259    HZ2  LYS  61           HZ2      LYS  61 -10.511  -6.860   3.701
  260    HZ3  LYS  61           HZ3      LYS  61  -9.896  -7.145   5.201
  261    H    MET  62           H        MET  62  -5.294  -5.154  -0.323
  262    HA   MET  62           HA       MET  62  -3.108  -4.643   1.608
  263    HB2  MET  62           HB2      MET  62  -1.869  -3.284   0.011
  264    HB3  MET  62           HB3      MET  62  -2.005  -4.954  -0.526
  265    HG2  MET  62           HG2      MET  62  -3.830  -4.308  -2.084
  266    HG3  MET  62           HG3      MET  62  -3.662  -2.623  -1.565
  267    HE1  MET  62           HE1      MET  62  -3.521  -3.609  -4.648
  268    HE2  MET  62           HE2      MET  62  -2.177  -2.606  -5.217
  269    HE3  MET  62           HE3      MET  62  -3.394  -1.907  -4.127
  270    H    VAL  63           H        VAL  63  -2.813  -2.444   2.165
  271    HA   VAL  63           HA       VAL  63  -5.022  -0.554   1.645
  272    HB   VAL  63           HB       VAL  63  -4.067  -1.198   4.471
  273   HG11  VAL  63          HG11      VAL  63  -6.010   0.312   5.054
  274   HG12  VAL  63          HG12      VAL  63  -6.153   0.734   3.346
  275   HG13  VAL  63          HG13      VAL  63  -4.680   1.158   4.252
  276   HG21  VAL  63          HG21      VAL  63  -5.594  -2.985   3.649
  277   HG22  VAL  63          HG22      VAL  63  -6.790  -1.735   3.241
  278   HG23  VAL  63          HG23      VAL  63  -6.306  -1.998   4.918
  279    H    ILE  64           H        ILE  64  -4.272   1.512   1.446
  280    HA   ILE  64           HA       ILE  64  -1.304   1.955   1.618
  281    HB   ILE  64           HB       ILE  64  -3.298   2.836  -0.496
  282   HG12  ILE  64          HG12      ILE  64  -1.091   0.897  -1.168
  283   HG13  ILE  64          HG13      ILE  64  -2.556   0.253  -0.442
  284   HG21  ILE  64          HG21      ILE  64  -1.404   4.403  -0.272
  285   HG22  ILE  64          HG22      ILE  64  -1.304   3.536  -1.796
  286   HG23  ILE  64          HG23      ILE  64  -0.255   3.059  -0.449
  287   HD11  ILE  64          HD11      ILE  64  -3.943   1.195  -2.212
  288   HD12  ILE  64          HD12      ILE  64  -2.677   0.145  -2.871
  289   HD13  ILE  64          HD13      ILE  64  -2.509   1.907  -2.984
  290    H    LEU  65           H        LEU  65  -0.673   3.884   2.506
  291    HA   LEU  65           HA       LEU  65  -2.722   6.020   2.948
  292    HB2  LEU  65           HB2      LEU  65  -0.344   5.778   4.793
  293    HB3  LEU  65           HB3      LEU  65  -1.850   6.629   5.007
  294    HG   LEU  65           HG       LEU  65  -1.602   3.596   5.129
  295   HD11  LEU  65          HD11      LEU  65  -0.485   4.702   7.039
  296   HD12  LEU  65          HD12      LEU  65  -1.971   3.873   7.544
  297   HD13  LEU  65          HD13      LEU  65  -1.961   5.636   7.364
  298   HD21  LEU  65          HD21      LEU  65  -3.869   4.358   4.448
  299   HD22  LEU  65          HD22      LEU  65  -3.908   5.469   5.833
  300   HD23  LEU  65          HD23      LEU  65  -3.875   3.712   6.095
  301    H    THR  66           H        THR  66  -2.274   7.651   1.588
  302    HA   THR  66           HA       THR  66   0.526   7.952   0.546
  303    HB   THR  66           HB       THR  66  -0.416   9.252  -1.245
  304    HG1  THR  66           HG1      THR  66  -2.097  10.281  -0.381
  305   HG21  THR  66          HG21      THR  66  -0.401   6.790  -1.521
  306   HG22  THR  66          HG22      THR  66  -1.693   7.589  -2.437
  307   HG23  THR  66          HG23      THR  66  -2.082   6.733  -0.929
  308    H    GLU  67           H        GLU  67   1.204  10.252   0.048
  309    HA   GLU  67           HA       GLU  67   0.763  12.129   2.187
  310    HB2  GLU  67           HB2      GLU  67   1.532  12.819  -0.657
  311    HB3  GLU  67           HB3      GLU  67   1.831  13.752   0.815
  312    HG2  GLU  67           HG2      GLU  67   3.184  11.615   1.576
  313    HG3  GLU  67           HG3      GLU  67   3.176  11.208  -0.128
  314    H    ASN  68           H        ASN  68  -0.337  14.263   1.838
  315    HA   ASN  68           HA       ASN  68  -2.257  15.404   1.770
  316    HB2  ASN  68           HB2      ASN  68  -2.616  14.218  -0.990
  317    HB3  ASN  68           HB3      ASN  68  -3.319  15.716  -0.417
  318   HD21  ASN  68          HD21      ASN  68  -1.122  14.767  -2.489
  319   HD22  ASN  68          HD22      ASN  68   0.216  15.878  -2.191
  320    H    LYS  69           H        LYS  69  -2.467  13.100   3.155
  321    HA   LYS  69           HA       LYS  69  -3.912  11.707   4.231
  322    HB2  LYS  69           HB2      LYS  69  -5.820  13.950   3.500
  323    HB3  LYS  69           HB3      LYS  69  -6.028  12.793   4.821
  324    HG2  LYS  69           HG2      LYS  69  -3.917  13.590   5.862
  325    HG3  LYS  69           HG3      LYS  69  -3.703  14.761   4.564
  326    HD2  LYS  69           HD2      LYS  69  -4.550  15.837   6.535
  327    HD3  LYS  69           HD3      LYS  69  -5.713  15.959   5.206
  328    HE2  LYS  69           HE2      LYS  69  -7.012  14.076   6.230
  329    HE3  LYS  69           HE3      LYS  69  -5.832  14.025   7.556
  330    HZ1  LYS  69           HZ1      LYS  69  -6.422  16.396   7.976
  331    HZ2  LYS  69           HZ2      LYS  69  -7.677  15.356   8.248
  332    HZ3  LYS  69           HZ3      LYS  69  -7.623  16.306   6.890
  333    H    GLY  70           H        GLY  70  -3.729  11.046   1.335
  334    HA2  GLY  70           HA2      GLY  70  -6.266   9.798   0.679
  335    HA3  GLY  70           HA3      GLY  70  -4.715   9.401  -0.034
  336    H    TYR  71           H        TYR  71  -6.975   7.816   0.986
  337    HA   TYR  71           HA       TYR  71  -5.404   5.704   2.310
  338    HB2  TYR  71           HB2      TYR  71  -6.573   6.559   4.210
  339    HB3  TYR  71           HB3      TYR  71  -8.065   6.757   3.304
  340    HD1  TYR  71           HD1      TYR  71  -9.356   4.732   2.522
  341    HD2  TYR  71           HD2      TYR  71  -6.146   4.433   5.421
  342    HE1  TYR  71           HE1      TYR  71 -10.167   2.493   3.206
  343    HE2  TYR  71           HE2      TYR  71  -7.017   2.240   6.137
  344    HH   TYR  71           HH       TYR  71  -8.735   0.722   5.962
  345    H    TYR  72           H        TYR  72  -5.704   3.825   1.207
  346    HA   TYR  72           HA       TYR  72  -8.084   3.463  -0.534
  347    HB2  TYR  72           HB2      TYR  72  -5.233   3.199  -1.547
  348    HB3  TYR  72           HB3      TYR  72  -6.694   2.887  -2.453
  349    HD1  TYR  72           HD1      TYR  72  -4.483   5.501  -1.061
  350    HD2  TYR  72           HD2      TYR  72  -8.037   4.717  -3.382
  351    HE1  TYR  72           HE1      TYR  72  -4.456   7.853  -1.903
  352    HE2  TYR  72           HE2      TYR  72  -7.987   7.050  -4.244
  353    HH   TYR  72           HH       TYR  72  -6.839   8.985  -4.312
  354    H    THR  73           H        THR  73  -8.656   1.296  -0.843
  355    HA   THR  73           HA       THR  73  -6.716  -0.797  -0.011
  356    HB   THR  73           HB       THR  73  -8.154  -0.439   1.903
  357    HG1  THR  73           HG1      THR  73  -7.418  -2.546   1.270
  358   HG21  THR  73          HG21      THR  73 -10.507  -1.309   0.177
  359   HG22  THR  73          HG22      THR  73 -10.231   0.344   0.773
  360   HG23  THR  73          HG23      THR  73 -10.510  -0.960   1.923
  361    H    VAL  74           H        VAL  74  -6.812  -2.743  -1.006
  362    HA   VAL  74           HA       VAL  74  -8.550  -3.104  -3.396
  363    HB   VAL  74           HB       VAL  74  -5.505  -3.046  -3.471
  364   HG11  VAL  74          HG11      VAL  74  -5.765  -3.311  -5.916
  365   HG12  VAL  74          HG12      VAL  74  -7.522  -3.464  -5.711
  366   HG13  VAL  74          HG13      VAL  74  -6.423  -4.699  -5.054
  367   HG21  VAL  74          HG21      VAL  74  -5.776  -1.145  -5.071
  368   HG22  VAL  74          HG22      VAL  74  -6.291  -0.740  -3.436
  369   HG23  VAL  74          HG23      VAL  74  -7.509  -1.100  -4.682
  370    H    TYR  75           H        TYR  75  -9.090  -5.206  -3.637
  371    HA   TYR  75           HA       TYR  75  -7.901  -7.273  -1.879
  372    HB2  TYR  75           HB2      TYR  75 -10.405  -7.088  -3.552
  373    HB3  TYR  75           HB3      TYR  75  -9.804  -8.641  -2.992
  374    HD1  TYR  75           HD1      TYR  75  -9.588  -9.194  -0.614
  375    HD2  TYR  75           HD2      TYR  75 -11.434  -5.522  -1.925
  376    HE1  TYR  75           HE1      TYR  75 -10.553  -8.865   1.652
  377    HE2  TYR  75           HE2      TYR  75 -12.407  -5.201   0.347
  378    HH   TYR  75           HH       TYR  75 -12.682  -6.115   2.459
  379    H    LEU  76           H        LEU  76  -5.970  -7.699  -2.681
  380    HA   LEU  76           HA       LEU  76  -5.111  -8.223  -5.321
  381    HB2  LEU  76           HB2      LEU  76  -4.075  -9.203  -2.633
  382    HB3  LEU  76           HB3      LEU  76  -3.193  -9.344  -4.147
  383    HG   LEU  76           HG       LEU  76  -4.028  -6.686  -2.891
  384   HD11  LEU  76          HD11      LEU  76  -1.627  -6.481  -2.366
  385   HD12  LEU  76          HD12      LEU  76  -1.358  -8.131  -2.970
  386   HD13  LEU  76          HD13      LEU  76  -2.364  -7.861  -1.528
  387   HD21  LEU  76          HD21      LEU  76  -3.770  -6.441  -5.309
  388   HD22  LEU  76          HD22      LEU  76  -2.257  -7.379  -5.277
  389   HD23  LEU  76          HD23      LEU  76  -2.336  -5.775  -4.529
  390    H    ASN  77           H        ASN  77  -7.034 -10.271  -3.318
  391    HA   ASN  77           HA       ASN  77  -6.628 -12.780  -4.668
  392    HB2  ASN  77           HB2      ASN  77  -8.863 -11.450  -3.114
  393    HB3  ASN  77           HB3      ASN  77  -9.283 -12.807  -4.139
  394   HD21  ASN  77          HD21      ASN  77  -9.975 -13.726  -2.071
  395   HD22  ASN  77          HD22      ASN  77  -8.752 -14.602  -1.147
  396    H    THR  78           H        THR  78  -7.752  -9.774  -6.077
  397    HA   THR  78           HA       THR  78  -8.954 -11.167  -8.380
  398    HB   THR  78           HB       THR  78 -10.895  -9.656  -8.277
  399    HG1  THR  78           HG1      THR  78  -9.561  -8.681  -5.995
  400   HG21  THR  78          HG21      THR  78 -10.650 -11.080  -5.596
  401   HG22  THR  78          HG22      THR  78 -11.138 -11.845  -7.132
  402   HG23  THR  78          HG23      THR  78 -12.129 -10.566  -6.412
  403    HA   PRO  79           HA       PRO  79  -6.990  -7.693 -10.493
  404    HB2  PRO  79           HB2      PRO  79  -8.337  -7.786 -12.883
  405    HB3  PRO  79           HB3      PRO  79  -7.130  -9.016 -12.404
  406    HG2  PRO  79           HG2      PRO  79 -10.127  -9.162 -12.045
  407    HG3  PRO  79           HG3      PRO  79  -9.067 -10.391 -12.818
  408    HD2  PRO  79           HD2      PRO  79  -9.933 -10.530 -10.272
  409    HD3  PRO  79           HD3      PRO  79  -8.264 -11.040 -10.659
  410    H    LEU  80           H        LEU  80  -7.431  -5.539 -10.033
  411    HA   LEU  80           HA       LEU  80 -10.049  -4.810  -9.176
  412    HB2  LEU  80           HB2      LEU  80  -9.332  -2.745  -8.602
  413    HB3  LEU  80           HB3      LEU  80  -7.917  -3.735  -8.364
  414    HG   LEU  80           HG       LEU  80  -8.385  -1.812 -10.689
  415   HD11  LEU  80          HD11      LEU  80  -6.675  -0.436  -9.592
  416   HD12  LEU  80          HD12      LEU  80  -6.524  -1.628  -8.282
  417   HD13  LEU  80          HD13      LEU  80  -8.026  -0.711  -8.486
  418   HD21  LEU  80          HD21      LEU  80  -6.861  -3.644 -11.366
  419   HD22  LEU  80          HD22      LEU  80  -5.904  -3.382  -9.890
  420   HD23  LEU  80          HD23      LEU  80  -5.957  -2.138 -11.139
  421    H    ALA  81           H        ALA  81 -11.729  -3.781 -10.050
  422    HA   ALA  81           HA       ALA  81 -12.185  -4.012 -12.831
  423    HB1  ALA  81           HB1      ALA  81 -13.663  -2.364 -10.740
  424    HB2  ALA  81           HB2      ALA  81 -13.936  -4.086 -11.111
  425    HB3  ALA  81           HB3      ALA  81 -14.287  -2.853 -12.333
  426    H    GLU  82           H        GLU  82 -12.792  -2.353 -14.378
  427    HA   GLU  82           HA       GLU  82 -10.610  -0.716 -14.943
  428    HB2  GLU  82           HB2      GLU  82 -13.432  -0.476 -16.038
  429    HB3  GLU  82           HB3      GLU  82 -11.973   0.170 -16.782
  430    HG2  GLU  82           HG2      GLU  82 -12.550  -2.795 -16.300
  431    HG3  GLU  82           HG3      GLU  82 -12.737  -1.935 -17.814
  432    H    ASP  83           H        ASP  83 -13.607   0.331 -13.284
  433    HA   ASP  83           HA       ASP  83 -12.894   3.165 -13.445
  434    HB2  ASP  83           HB2      ASP  83 -14.841   1.606 -11.720
  435    HB3  ASP  83           HB3      ASP  83 -14.633   3.363 -11.606
  436    H    ARG  84           H        ARG  84 -12.163   0.552 -11.186
  437    HA   ARG  84           HA       ARG  84 -10.834   2.300  -9.224
  438    HB2  ARG  84           HB2      ARG  84 -10.760  -0.737  -9.529
  439    HB3  ARG  84           HB3      ARG  84 -10.157   0.219  -8.176
  440    HG2  ARG  84           HG2      ARG  84 -12.537   1.087  -7.850
  441    HG3  ARG  84           HG3      ARG  84 -13.057  -0.141  -9.018
  442    HD2  ARG  84           HD2      ARG  84 -11.978  -1.889  -7.573
  443    HD3  ARG  84           HD3      ARG  84 -11.594  -0.649  -6.385
  444    HE   ARG  84           HE       ARG  84 -14.155  -1.947  -6.846
  445   HH11  ARG  84          HH11      ARG  84 -12.831   1.067  -5.527
  446   HH12  ARG  84          HH12      ARG  84 -14.118   1.175  -4.366
  447   HH21  ARG  84          HH21      ARG  84 -15.698  -1.690  -5.329
  448   HH22  ARG  84          HH22      ARG  84 -15.740  -0.254  -4.320
  449    H    LYS  85           H        LYS  85  -9.882   0.476 -12.126
  450    HA   LYS  85           HA       LYS  85  -7.035   0.923 -11.855
  451    HB2  LYS  85           HB2      LYS  85  -8.792   0.635 -14.325
  452    HB3  LYS  85           HB3      LYS  85  -7.058   0.896 -14.399
  453    HG2  LYS  85           HG2      LYS  85  -6.717  -1.171 -13.027
  454    HG3  LYS  85           HG3      LYS  85  -8.461  -1.502 -13.165
  455    HD2  LYS  85           HD2      LYS  85  -8.223  -1.505 -15.659
  456    HD3  LYS  85           HD3      LYS  85  -6.514  -1.127 -15.487
  457    HE2  LYS  85           HE2      LYS  85  -6.524  -3.410 -15.897
  458    HE3  LYS  85           HE3      LYS  85  -6.233  -3.281 -14.162
  459    HZ1  LYS  85           HZ1      LYS  85  -7.855  -4.978 -14.798
  460    HZ2  LYS  85           HZ2      LYS  85  -8.561  -3.875 -13.791
  461    HZ3  LYS  85           HZ3      LYS  85  -8.875  -3.822 -15.410
  462    H    ASN  86           H        ASN  86  -9.663   3.058 -12.639
  463    HA   ASN  86           HA       ASN  86  -7.784   5.229 -13.462
  464    HB2  ASN  86           HB2      ASN  86 -10.630   4.523 -14.285
  465    HB3  ASN  86           HB3      ASN  86  -9.854   6.040 -14.700
  466   HD21  ASN  86          HD21      ASN  86 -10.111   2.698 -15.566
  467   HD22  ASN  86          HD22      ASN  86  -9.099   2.874 -17.007
  468    H    VAL  87           H        VAL  87  -8.826   4.532 -10.577
  469    HA   VAL  87           HA       VAL  87 -10.300   7.011  -9.965
  470    HB   VAL  87           HB       VAL  87 -10.821   4.798  -8.900
  471   HG11  VAL  87          HG11      VAL  87  -9.586   4.040  -6.992
  472   HG12  VAL  87          HG12      VAL  87  -8.398   5.354  -7.161
  473   HG13  VAL  87          HG13      VAL  87  -8.513   4.082  -8.397
  474   HG21  VAL  87          HG21      VAL  87 -11.347   5.778  -6.730
  475   HG22  VAL  87          HG22      VAL  87 -11.607   6.984  -7.999
  476   HG23  VAL  87          HG23      VAL  87 -10.161   7.069  -6.968
  477    H    GLU  88           H        GLU  88  -9.552   8.689  -8.798
  478    HA   GLU  88           HA       GLU  88  -6.970   9.566  -9.483
  479    HB2  GLU  88           HB2      GLU  88  -8.982  10.685  -7.499
  480    HB3  GLU  88           HB3      GLU  88  -7.653  11.602  -8.203
  481    HG2  GLU  88           HG2      GLU  88  -9.867  10.359  -9.905
  482    HG3  GLU  88           HG3      GLU  88 -10.027  11.929  -9.136
  483    H    LEU  89           H        LEU  89  -5.037   9.608  -8.472
  484    HA   LEU  89           HA       LEU  89  -4.726   8.766  -5.641
  485    HB2  LEU  89           HB2      LEU  89  -2.708   9.374  -7.817
  486    HB3  LEU  89           HB3      LEU  89  -2.265   8.970  -6.178
  487    HG   LEU  89           HG       LEU  89  -3.807   7.145  -8.058
  488   HD11  LEU  89          HD11      LEU  89  -1.451   7.517  -8.721
  489   HD12  LEU  89          HD12      LEU  89  -1.712   5.861  -8.158
  490   HD13  LEU  89          HD13      LEU  89  -0.914   7.044  -7.098
  491   HD21  LEU  89          HD21      LEU  89  -2.631   6.658  -5.275
  492   HD22  LEU  89          HD22      LEU  89  -3.239   5.384  -6.348
  493   HD23  LEU  89          HD23      LEU  89  -4.355   6.597  -5.720
  494    H    LEU  90           H        LEU  90  -4.725  10.154  -4.051
  495    HA   LEU  90           HA       LEU  90  -4.565  12.997  -4.333
  496    HB2  LEU  90           HB2      LEU  90  -4.642  11.045  -2.015
  497    HB3  LEU  90           HB3      LEU  90  -4.452  12.766  -1.717
  498    HG   LEU  90           HG       LEU  90  -6.752  11.697  -3.397
  499   HD11  LEU  90          HD11      LEU  90  -8.138  11.949  -1.344
  500   HD12  LEU  90          HD12      LEU  90  -6.652  12.184  -0.397
  501   HD13  LEU  90          HD13      LEU  90  -6.956  10.643  -1.249
  502   HD21  LEU  90          HD21      LEU  90  -7.801  13.852  -2.718
  503   HD22  LEU  90          HD22      LEU  90  -6.319  14.116  -3.636
  504   HD23  LEU  90          HD23      LEU  90  -6.310  14.304  -1.868
  505    H    GLY  91           H        GLY  91  -1.973  10.670  -3.570
  506    HA2  GLY  91           HA2      GLY  91   0.063  12.676  -3.979
  507    HA3  GLY  91           HA3      GLY  91  -0.171  12.364  -2.266
  508    H    LYS  92           H        LYS  92   2.214  11.903  -2.927
  509    HA   LYS  92           HA       LYS  92   3.119   9.572  -4.129
  510    HB2  LYS  92           HB2      LYS  92   4.211  11.717  -2.626
  511    HB3  LYS  92           HB3      LYS  92   4.655  10.307  -1.731
  512    HG2  LYS  92           HG2      LYS  92   6.445  10.631  -3.202
  513    HG3  LYS  92           HG3      LYS  92   5.521   9.344  -3.971
  514    HD2  LYS  92           HD2      LYS  92   6.145  10.850  -5.697
  515    HD3  LYS  92           HD3      LYS  92   4.430  11.095  -5.436
  516    HE2  LYS  92           HE2      LYS  92   5.472  13.244  -5.756
  517    HE3  LYS  92           HE3      LYS  92   4.941  13.139  -4.075
  518    HZ1  LYS  92           HZ1      LYS  92   7.198  12.756  -3.409
  519    HZ2  LYS  92           HZ2      LYS  92   7.180  14.077  -4.358
  520    HZ3  LYS  92           HZ3      LYS  92   7.741  12.667  -4.986
  521    H    MET  93           H        MET  93   3.793   7.598  -3.485
  522    HA   MET  93           HA       MET  93   2.129   6.021  -1.793
  523    HB2  MET  93           HB2      MET  93   3.237   5.453  -3.997
  524    HB3  MET  93           HB3      MET  93   4.768   5.307  -3.137
  525    HG2  MET  93           HG2      MET  93   3.561   3.494  -1.705
  526    HG3  MET  93           HG3      MET  93   2.271   3.610  -2.889
  527    HE1  MET  93           HE1      MET  93   6.141   1.248  -3.177
  528    HE2  MET  93           HE2      MET  93   5.149   1.678  -1.767
  529    HE3  MET  93           HE3      MET  93   6.223   2.890  -2.509
  530    H    TYR  94           H        TYR  94   3.062   7.756   0.057
  531    HA   TYR  94           HA       TYR  94   5.408   7.331   1.442
  532    HB2  TYR  94           HB2      TYR  94   3.979   9.147   2.019
  533    HB3  TYR  94           HB3      TYR  94   2.626   8.110   2.270
  534    HD1  TYR  94           HD1      TYR  94   6.115   7.948   3.714
  535    HD2  TYR  94           HD2      TYR  94   1.904   8.428   4.454
  536    HE1  TYR  94           HE1      TYR  94   6.549   7.983   6.138
  537    HE2  TYR  94           HE2      TYR  94   2.338   8.422   6.912
  538    HH   TYR  94           HH       TYR  94   5.643   7.871   8.189
  539    H    LYS  95           H        LYS  95   2.369   5.440   2.095
  540    HA   LYS  95           HA       LYS  95   4.076   3.278   3.223
  541    HB2  LYS  95           HB2      LYS  95   3.133   5.062   4.956
  542    HB3  LYS  95           HB3      LYS  95   1.594   4.282   4.671
  543    HG2  LYS  95           HG2      LYS  95   2.582   3.363   6.661
  544    HG3  LYS  95           HG3      LYS  95   2.561   2.108   5.430
  545    HD2  LYS  95           HD2      LYS  95   4.666   2.103   6.716
  546    HD3  LYS  95           HD3      LYS  95   4.952   2.394   5.016
  547    HE2  LYS  95           HE2      LYS  95   6.398   3.843   6.205
  548    HE3  LYS  95           HE3      LYS  95   5.139   4.876   5.530
  549    HZ1  LYS  95           HZ1      LYS  95   5.221   3.851   8.324
  550    HZ2  LYS  95           HZ2      LYS  95   4.083   4.893   7.743
  551    HZ3  LYS  95           HZ3      LYS  95   5.656   5.362   7.872
  552    H    THR  96           H        THR  96   3.338   1.226   2.889
  553    HA   THR  96           HA       THR  96   0.448   0.802   2.258
  554    HB   THR  96           HB       THR  96   2.657  -0.634   0.736
  555    HG1  THR  96           HG1      THR  96   2.241   1.613   0.358
  556   HG21  THR  96          HG21      THR  96   0.754  -1.307  -0.745
  557   HG22  THR  96          HG22      THR  96  -0.382  -0.599   0.424
  558   HG23  THR  96          HG23      THR  96   0.605  -1.997   0.864
  559    H    TYR  97           H        TYR  97  -0.395  -0.993   3.026
  560    HA   TYR  97           HA       TYR  97   1.174  -2.854   4.746
  561    HB2  TYR  97           HB2      TYR  97  -1.593  -1.587   5.023
  562    HB3  TYR  97           HB3      TYR  97  -1.002  -2.828   6.064
  563    HD1  TYR  97           HD1      TYR  97   1.371  -2.364   7.175
  564    HD2  TYR  97           HD2      TYR  97  -1.255   0.687   5.641
  565    HE1  TYR  97           HE1      TYR  97   2.389  -0.725   8.721
  566    HE2  TYR  97           HE2      TYR  97  -0.249   2.326   7.242
  567    HH   TYR  97           HH       TYR  97   2.125   1.292   9.697
  568    H    PHE  98           H        PHE  98   0.769  -5.006   4.449
  569    HA   PHE  98           HA       PHE  98  -1.276  -5.877   2.439
  570    HB2  PHE  98           HB2      PHE  98   1.613  -6.697   2.834
  571    HB3  PHE  98           HB3      PHE  98   0.487  -7.555   1.805
  572    HD1  PHE  98           HD1      PHE  98   2.451  -4.416   2.170
  573    HD2  PHE  98           HD2      PHE  98  -0.165  -6.733  -0.347
  574    HE1  PHE  98           HE1      PHE  98   3.093  -3.027   0.194
  575    HE2  PHE  98           HE2      PHE  98   0.536  -5.385  -2.319
  576    HZ   PHE  98           HZ       PHE  98   2.200  -3.574  -2.045
  577    H    PHE  99           H        PHE  99  -2.340  -7.726   2.806
  578    HA   PHE  99           HA       PHE  99  -2.124  -8.918   5.542
  579    HB2  PHE  99           HB2      PHE  99  -4.596  -8.092   3.960
  580    HB3  PHE  99           HB3      PHE  99  -4.568  -8.787   5.571
  581    HD1  PHE  99           HD1      PHE  99  -3.508  -5.756   3.608
  582    HD2  PHE  99           HD2      PHE  99  -4.501  -7.368   7.468
  583    HE1  PHE  99           HE1      PHE  99  -3.345  -3.493   4.586
  584    HE2  PHE  99           HE2      PHE  99  -4.435  -5.076   8.427
  585    HZ   PHE  99           HZ       PHE  99  -3.797  -3.148   7.007
  586    H    LYS 100           H        LYS 100  -2.040 -11.080   5.608
  587    HA   LYS 100           HA       LYS 100  -2.140 -12.700   3.237
  588    HB2  LYS 100           HB2      LYS 100  -2.032 -13.474   6.151
  589    HB3  LYS 100           HB3      LYS 100  -1.893 -14.619   4.796
  590    HG2  LYS 100           HG2      LYS 100   0.177 -14.104   4.279
  591    HG3  LYS 100           HG3      LYS 100   0.019 -12.379   4.567
  592    HD2  LYS 100           HD2      LYS 100   0.245 -12.739   6.986
  593    HD3  LYS 100           HD3      LYS 100   0.258 -14.496   6.752
  594    HE2  LYS 100           HE2      LYS 100   2.345 -14.292   5.410
  595    HE3  LYS 100           HE3      LYS 100   2.360 -12.551   5.719
  596    HZ1  LYS 100           HZ1      LYS 100   2.411 -14.590   7.888
  597    HZ2  LYS 100           HZ2      LYS 100   2.703 -12.971   8.033
  598    HZ3  LYS 100           HZ3      LYS 100   3.754 -13.953   7.220
  599    H    LYS 101           H        LYS 101  -3.372 -14.607   2.914
  600    HA   LYS 101           HA       LYS 101  -6.251 -14.501   2.946
  601    HB2  LYS 101           HB2      LYS 101  -4.285 -16.771   2.442
  602    HB3  LYS 101           HB3      LYS 101  -6.019 -16.860   2.126
  603    HG2  LYS 101           HG2      LYS 101  -5.889 -15.197   0.377
  604    HG3  LYS 101           HG3      LYS 101  -4.207 -14.822   0.768
  605    HD2  LYS 101           HD2      LYS 101  -3.574 -17.157   0.178
  606    HD3  LYS 101           HD3      LYS 101  -5.233 -17.466  -0.347
  607    HE2  LYS 101           HE2      LYS 101  -3.479 -15.246  -1.501
  608    HE3  LYS 101           HE3      LYS 101  -3.481 -16.890  -2.136
  609    HZ1  LYS 101           HZ1      LYS 101  -5.834 -16.681  -2.610
  610    HZ2  LYS 101           HZ2      LYS 101  -5.844 -15.099  -2.087
  611    HZ3  LYS 101           HZ3      LYS 101  -4.987 -15.521  -3.396
  612    H    GLY 102           H        GLY 102  -6.126 -13.918   5.348
  613    HA2  GLY 102           HA2      GLY 102  -7.573 -15.312   7.043
  614    HA3  GLY 102           HA3      GLY 102  -6.085 -16.251   7.212
  615    H    GLU 103           H        GLU 103  -6.594 -12.707   6.876
  616    HA   GLU 103           HA       GLU 103  -5.393 -12.162   9.533
  617    HB2  GLU 103           HB2      GLU 103  -3.592 -12.686   7.814
  618    HB3  GLU 103           HB3      GLU 103  -4.154 -11.282   6.891
  619    HG2  GLU 103           HG2      GLU 103  -3.432  -9.750   8.478
  620    HG3  GLU 103           HG3      GLU 103  -3.279 -10.973   9.749
  621    H    SER 104           H        SER 104  -5.887 -10.117  10.290
  622    HA   SER 104           HA       SER 104  -6.670  -7.972   8.401
  623    HB2  SER 104           HB2      SER 104  -8.420  -8.748  10.736
  624    HB3  SER 104           HB3      SER 104  -8.588  -7.274   9.774
  625    HG   SER 104           HG       SER 104  -9.106  -9.954   9.154
  626    H    LYS 105           H        LYS 105  -4.278  -8.505   9.770
  627    HA   LYS 105           HA       LYS 105  -3.781  -5.725  10.531
  628    HB2  LYS 105           HB2      LYS 105  -4.095  -6.557  12.777
  629    HB3  LYS 105           HB3      LYS 105  -3.136  -8.008  12.427
  630    HG2  LYS 105           HG2      LYS 105  -1.074  -6.709  12.318
  631    HG3  LYS 105           HG3      LYS 105  -1.969  -5.193  12.540
  632    HD2  LYS 105           HD2      LYS 105  -2.695  -5.818  14.710
  633    HD3  LYS 105           HD3      LYS 105  -2.164  -7.508  14.481
  634    HE2  LYS 105           HE2      LYS 105   0.195  -6.667  14.420
  635    HE3  LYS 105           HE3      LYS 105  -0.426  -5.075  14.913
  636    HZ1  LYS 105           HZ1      LYS 105  -0.732  -7.603  16.440
  637    HZ2  LYS 105           HZ2      LYS 105  -1.308  -6.113  16.912
  638    HZ3  LYS 105           HZ3      LYS 105   0.305  -6.396  16.803
  639    H    SER 106           H        SER 106  -2.108  -5.217   9.214
  640    HA   SER 106           HA       SER 106  -1.219  -7.094   7.366
  641    HB2  SER 106           HB2      SER 106   0.358  -5.496   6.554
  642    HB3  SER 106           HB3      SER 106  -1.066  -4.627   7.139
  643    HG   SER 106           HG       SER 106   1.480  -4.931   8.428
  644    H    SER 107           H        SER 107   0.545  -8.346   6.981
  645    HA   SER 107           HA       SER 107   2.584  -8.618   9.175
  646    HB2  SER 107           HB2      SER 107   1.273 -10.623   8.777
  647    HB3  SER 107           HB3      SER 107   1.651 -10.581   7.049
  648    HG   SER 107           HG       SER 107   3.677 -10.710   9.040
  649    H    TYR 108           H        TYR 108   2.152  -7.409   6.041
  650    HA   TYR 108           HA       TYR 108   5.081  -7.063   5.725
  651    HB2  TYR 108           HB2      TYR 108   4.504  -8.925   4.310
  652    HB3  TYR 108           HB3      TYR 108   3.148  -8.065   3.618
  653    HD1  TYR 108           HD1      TYR 108   6.850  -7.725   4.048
  654    HD2  TYR 108           HD2      TYR 108   3.477  -7.158   1.457
  655    HE1  TYR 108           HE1      TYR 108   8.397  -7.119   2.162
  656    HE2  TYR 108           HE2      TYR 108   5.004  -6.570  -0.408
  657    HH   TYR 108           HH       TYR 108   7.246  -6.436  -1.132
  658    H    VAL 109           H        VAL 109   5.654  -5.110   5.091
  659    HA   VAL 109           HA       VAL 109   3.718  -3.128   4.083
  660    HB   VAL 109           HB       VAL 109   3.363  -2.667   6.194
  661   HG11  VAL 109          HG11      VAL 109   4.487  -4.181   7.437
  662   HG12  VAL 109          HG12      VAL 109   5.096  -2.653   8.087
  663   HG13  VAL 109          HG13      VAL 109   6.059  -3.593   6.906
  664   HG21  VAL 109          HG21      VAL 109   5.750  -0.871   6.070
  665   HG22  VAL 109          HG22      VAL 109   4.382  -0.747   7.177
  666   HG23  VAL 109          HG23      VAL 109   4.125  -0.502   5.460
  667    H    ILE 110           H        ILE 110   4.603  -1.199   3.359
  668    HA   ILE 110           HA       ILE 110   7.487  -1.349   2.588
  669    HB   ILE 110           HB       ILE 110   5.179  -0.864   0.696
  670   HG12  ILE 110          HG12      ILE 110   6.631  -3.433   1.392
  671   HG13  ILE 110          HG13      ILE 110   4.917  -3.149   1.288
  672   HG21  ILE 110          HG21      ILE 110   8.137  -1.432   0.214
  673   HG22  ILE 110          HG22      ILE 110   7.387   0.175   0.093
  674   HG23  ILE 110          HG23      ILE 110   6.948  -1.091  -1.050
  675   HD11  ILE 110          HD11      ILE 110   5.455  -4.457  -0.574
  676   HD12  ILE 110          HD12      ILE 110   6.916  -3.533  -0.918
  677   HD13  ILE 110          HD13      ILE 110   5.289  -2.829  -1.239
  678    H    ASN 111           H        ASN 111   8.447   0.426   3.056
  679    HA   ASN 111           HA       ASN 111   6.972   2.988   3.479
  680    HB2  ASN 111           HB2      ASN 111   9.904   2.347   3.976
  681    HB3  ASN 111           HB3      ASN 111   9.020   3.744   4.553
  682   HD21  ASN 111          HD21      ASN 111  10.555   1.434   5.881
  683   HD22  ASN 111          HD22      ASN 111   9.441   0.994   7.178
  684    H    GLY 112           H        GLY 112   6.726   4.106   1.594
  685    HA2  GLY 112           HA2      GLY 112   8.717   3.721  -0.620
  686    HA3  GLY 112           HA3      GLY 112   6.991   4.018  -0.795
  687    HA   PRO 113           HA       PRO 113   9.197   8.108  -1.278
  688    HB2  PRO 113           HB2      PRO 113   7.999   8.870  -3.620
  689    HB3  PRO 113           HB3      PRO 113   9.468   7.859  -3.567
  690    HG2  PRO 113           HG2      PRO 113   6.599   6.948  -3.868
  691    HG3  PRO 113           HG3      PRO 113   8.039   6.466  -4.815
  692    HD2  PRO 113           HD2      PRO 113   7.075   4.953  -2.763
  693    HD3  PRO 113           HD3      PRO 113   8.830   5.074  -3.081
  694    H    GLY 114           H        GLY 114   8.342   9.499  -0.050
  695    HA2  GLY 114           HA2      GLY 114   6.393  11.145   0.214
  696    HA3  GLY 114           HA3      GLY 114   5.442   9.683   0.508
  697    H    LYS 115           H        LYS 115   5.871  11.764   2.412
  698    HA   LYS 115           HA       LYS 115   7.681  10.470   4.450
  699    HB2  LYS 115           HB2      LYS 115   8.520  12.370   2.980
  700    HB3  LYS 115           HB3      LYS 115   7.420  13.443   3.855
  701    HG2  LYS 115           HG2      LYS 115   8.638  13.139   5.915
  702    HG3  LYS 115           HG3      LYS 115   9.474  11.708   5.272
  703    HD2  LYS 115           HD2      LYS 115  10.555  13.141   3.543
  704    HD3  LYS 115           HD3      LYS 115   9.842  14.571   4.313
  705    HE2  LYS 115           HE2      LYS 115  11.137  14.241   6.307
  706    HE3  LYS 115           HE3      LYS 115  11.612  12.605   5.807
  707    HZ1  LYS 115           HZ1      LYS 115  12.895  13.519   4.021
  708    HZ2  LYS 115           HZ2      LYS 115  13.362  14.277   5.403
  709    HZ3  LYS 115           HZ3      LYS 115  12.397  15.055   4.322
  710    H    THR 116           H        THR 116   4.537  11.732   4.034
  711    HA   THR 116           HA       THR 116   3.742  11.362   6.767
  712    HB   THR 116           HB       THR 116   4.848  13.492   7.160
  713    HG1  THR 116           HG1      THR 116   3.155  14.592   7.925
  714   HG21  THR 116          HG21      THR 116   3.168  14.661   4.898
  715   HG22  THR 116          HG22      THR 116   4.933  14.454   4.879
  716   HG23  THR 116          HG23      THR 116   4.190  15.575   6.026
  717    H    ASN 117           H        ASN 117   1.332  11.674   6.907
  718    HA   ASN 117           HA       ASN 117   0.009  11.531   4.273
  719    HB2  ASN 117           HB2      ASN 117  -1.056  11.469   7.125
  720    HB3  ASN 117           HB3      ASN 117  -2.032  11.288   5.673
  721   HD21  ASN 117          HD21      ASN 117  -0.682   9.504   4.094
  722   HD22  ASN 117          HD22      ASN 117  -0.309   8.050   5.017
  723    H    GLU 118           H        GLU 118   0.892  14.000   6.596
  724    HA   GLU 118           HA       GLU 118  -1.290  15.817   5.821
  725    HB2  GLU 118           HB2      GLU 118   1.002  16.006   7.814
  726    HB3  GLU 118           HB3      GLU 118  -0.174  17.284   7.540
  727    HG2  GLU 118           HG2      GLU 118  -2.018  15.702   8.129
  728    HG3  GLU 118           HG3      GLU 118  -0.800  14.489   8.546
  729    H    TYR 119           H        TYR 119  -1.067  16.725   3.816
  730    HA   TYR 119           HA       TYR 119  -0.210  18.063   2.162
  731    HB2  TYR 119           HB2      TYR 119  -0.396  20.317   2.897
  732    HB3  TYR 119           HB3      TYR 119  -1.601  19.306   3.660
  733    HD1  TYR 119           HD1      TYR 119  -1.408  18.722   6.100
  734    HD2  TYR 119           HD2      TYR 119   1.123  21.628   4.184
  735    HE1  TYR 119           HE1      TYR 119  -0.713  19.601   8.336
  736    HE2  TYR 119           HE2      TYR 119   1.812  22.505   6.394
  737    HH   TYR 119           HH       TYR 119   1.442  22.431   8.639
  738    H    ALA 120           H        ALA 120   1.818  16.679   2.016
  739    HA   ALA 120           HA       ALA 120   4.268  17.686   3.025
  740    HB1  ALA 120           HB1      ALA 120   3.704  15.293   2.604
  741    HB2  ALA 120           HB2      ALA 120   5.209  15.763   1.802
  742    HB3  ALA 120           HB3      ALA 120   3.706  15.629   0.859
  743    H    TYR 121           H        TYR 121   2.910  19.555   1.151
  744    HA   TYR 121           HA       TYR 121   5.377  20.668   0.117
  745    HB2  TYR 121           HB2      TYR 121   4.662  19.278  -1.838
  746    HB3  TYR 121           HB3      TYR 121   3.156  20.182  -1.906
  747    HD1  TYR 121           HD1      TYR 121   6.859  20.414  -2.289
  748    HD2  TYR 121           HD2      TYR 121   3.082  22.394  -2.876
  749    HE1  TYR 121           HE1      TYR 121   7.998  22.193  -3.627
  750    HE2  TYR 121           HE2      TYR 121   4.209  24.183  -4.164
  751    HH   TYR 121           HH       TYR 121   6.189  25.008  -4.930
  752    H1   ACE   6           H1       ACE   6  16.431   7.269  -5.080
  753    H2   ACE   6           H2       ACE   6  14.724   6.853  -4.854
  754    H3   ACE   6           H3       ACE   6  15.217   7.937  -6.184
  755    H    THR   7           H        THR   7  14.928   4.741  -7.961
  756    HA   THR   7           HA       THR   7  13.117   6.523  -6.407
  757    HB   THR   7           HB       THR   7  13.988   7.673  -8.471
  758    HG1  THR   7           HG1      THR   7  11.707   8.129  -9.163
  759   HG21  THR   7          HG21      THR   7  13.089   7.113 -10.638
  760   HG22  THR   7          HG22      THR   7  12.162   5.752  -9.972
  761   HG23  THR   7          HG23      THR   7  13.939   5.706 -10.012
  762    H    THR   8           H        THR   8  13.680   3.586  -6.912
  763    HA   THR   8           HA       THR   8  10.927   2.780  -6.387
  764    HB   THR   8           HB       THR   8  11.225   2.537  -8.864
  765    HG1  THR   8           HG1      THR   8  10.586   0.373  -7.160
  766   HG21  THR   8          HG21      THR   8  12.847   0.070  -8.134
  767   HG22  THR   8          HG22      THR   8  12.274   0.559  -9.739
  768   HG23  THR   8          HG23      THR   8  13.499   1.532  -8.910
  769    HA   PRO   9           HA       PRO   9  13.729  -0.723  -5.009
  770    HB2  PRO   9           HB2      PRO   9  16.271  -0.443  -4.261
  771    HB3  PRO   9           HB3      PRO   9  15.716  -0.481  -5.976
  772    HG2  PRO   9           HG2      PRO   9  16.280   1.967  -4.276
  773    HG3  PRO   9           HG3      PRO   9  16.943   1.586  -5.901
  774    HD2  PRO   9           HD2      PRO   9  14.751   3.149  -5.497
  775    HD3  PRO   9           HD3      PRO   9  14.937   2.116  -6.955
  776    H    ASP  10           H        ASP  10  12.090  -0.287  -3.607
  777    HA   ASP  10           HA       ASP  10  12.972  -0.279  -0.768
  778    HB2  ASP  10           HB2      ASP  10  10.678   1.400  -1.904
  779    HB3  ASP  10           HB3      ASP  10  10.856   1.005  -0.205
  780    H2   TYS  11           H2       TYS  11  12.842  -2.565  -1.312
  781    HA   TYS  11           HA       TYS  11  10.218  -3.614  -2.193
  782    HB2  TYS  11           HB2      TYS  11  13.029  -4.614  -2.690
  783    HB3  TYS  11           HB3      TYS  11  11.608  -5.641  -2.853
  784    HD1  TYS  11           HD1      TYS  11   9.587  -4.792  -4.078
  785    HD2  TYS  11           HD2      TYS  11  13.469  -3.024  -4.584
  786    HE1  TYS  11           HE1      TYS  11   8.792  -3.599  -6.029
  787    HE2  TYS  11           HE2      TYS  11  12.634  -1.870  -6.621
  788    H    GLY  12           H        GLY  12  10.032  -2.892  -0.269
  789    HA2  GLY  12           HA2      GLY  12   8.801  -3.123   1.608
  790    HA3  GLY  12           HA3      GLY  12   8.444  -4.680   0.923
  791    H    HIS  13           H        HIS  13   8.130  -4.506   3.683
  792    HA   HIS  13           HA       HIS  13  10.189  -6.429   4.575
  793    HB2  HIS  13           HB2      HIS  13  10.519  -5.256   6.674
  794    HB3  HIS  13           HB3      HIS  13  11.218  -4.365   5.325
  795    HD1  HIS  13           HD1      HIS  13   9.803  -2.144   4.488
  796    HD2  HIS  13           HD2      HIS  13   8.371  -4.054   7.972
  797    HE1  HIS  13           HE1      HIS  13   7.876  -0.710   5.439
  798    HE2  HIS  13           HE2      HIS  13   7.374  -1.616   7.759
  799    H2   TYS  14           H2       TYS  14   9.637  -7.621   6.416
  800    HA   TYS  14           HA       TYS  14   6.710  -7.705   6.935
  801    HB2  TYS  14           HB2      TYS  14   8.916  -9.775   7.222
  802    HB3  TYS  14           HB3      TYS  14   7.375  -9.935   8.016
  803    HD1  TYS  14           HD1      TYS  14   8.733  -9.406   4.441
  804    HD2  TYS  14           HD2      TYS  14   5.559 -10.960   6.986
  805    HE1  TYS  14           HE1      TYS  14   7.920 -10.715   2.655
  806    HE2  TYS  14           HE2      TYS  14   4.721 -12.228   5.093
  807    H    ASP  15           H        ASP  15   5.900  -6.866   8.642
  808    HA   ASP  15           HA       ASP  15   7.798  -5.717  10.578
  809    HB2  ASP  15           HB2      ASP  15   6.322  -4.006  10.817
  810    HB3  ASP  15           HB3      ASP  15   6.120  -4.459   9.167
  811    H    ASP  16           H        ASP  16   6.679  -5.117  12.791
  812    HA   ASP  16           HA       ASP  16   5.129  -7.374  13.872
  813    HB2  ASP  16           HB2      ASP  16   6.460  -7.729  15.806
  814    HB3  ASP  16           HB3      ASP  16   7.491  -7.883  14.392
  815    H    LYS  17           H        LYS  17   5.781  -3.967  13.915
  816    HA   LYS  17           HA       LYS  17   3.281  -3.609  15.468
  817    HB2  LYS  17           HB2      LYS  17   4.267  -1.898  16.932
  818    HB3  LYS  17           HB3      LYS  17   4.842  -3.540  17.248
  819    HG2  LYS  17           HG2      LYS  17   6.980  -3.055  16.192
  820    HG3  LYS  17           HG3      LYS  17   6.408  -1.482  15.623
  821    HD2  LYS  17           HD2      LYS  17   7.887  -1.306  17.589
  822    HD3  LYS  17           HD3      LYS  17   6.281  -0.628  17.881
  823    HE2  LYS  17           HE2      LYS  17   5.606  -2.660  19.100
  824    HE3  LYS  17           HE3      LYS  17   7.168  -3.419  18.750
  825    HZ1  LYS  17           HZ1      LYS  17   8.246  -1.779  20.094
  826    HZ2  LYS  17           HZ2      LYS  17   6.854  -0.909  20.317
  827    HZ3  LYS  17           HZ3      LYS  17   7.017  -2.401  20.985
  828    H    ASP  18           H        ASP  18   5.482  -2.378  13.108
  829    HA   ASP  18           HA       ASP  18   4.353   0.249  12.816
  830    HB2  ASP  18           HB2      ASP  18   5.850  -1.621  10.949
  831    HB3  ASP  18           HB3      ASP  18   5.194  -0.080  10.413
  832    H    THR  19           H        THR  19   3.127  -2.882  11.844
  833    HA   THR  19           HA       THR  19   1.486  -2.656   9.796
  834    HB   THR  19           HB       THR  19   1.545  -4.708  11.117
  835    HG1  THR  19           HG1      THR  19  -0.104  -4.533   9.884
  836   HG21  THR  19          HG21      THR  19   0.789  -5.074  13.146
  837   HG22  THR  19          HG22      THR  19  -0.171  -3.559  13.246
  838   HG23  THR  19          HG23      THR  19   1.613  -3.555  13.389
  839    H    LEU  20           H        LEU  20  -0.779  -2.455   9.419
  840    HA   LEU  20           HA       LEU  20  -2.223  -0.379  10.958
  841    HB2  LEU  20           HB2      LEU  20  -2.021   0.325   8.610
  842    HB3  LEU  20           HB3      LEU  20  -2.482  -1.294   8.064
  843    HG   LEU  20           HG       LEU  20  -4.731  -0.906   9.146
  844   HD11  LEU  20          HD11      LEU  20  -3.629   1.925   9.415
  845   HD12  LEU  20          HD12      LEU  20  -4.166   0.872  10.743
  846   HD13  LEU  20          HD13      LEU  20  -5.339   1.491   9.570
  847   HD21  LEU  20          HD21      LEU  20  -5.501   0.562   7.331
  848   HD22  LEU  20          HD22      LEU  20  -4.321  -0.633   6.752
  849   HD23  LEU  20          HD23      LEU  20  -3.823   1.058   7.005
  850    H    ASP  21           H        ASP  21  -3.463  -1.412  12.349
  851    HA   ASP  21           HA       ASP  21  -4.448  -4.149  11.910
  852    HB2  ASP  21           HB2      ASP  21  -5.655  -3.826  14.059
  853    HB3  ASP  21           HB3      ASP  21  -3.905  -3.807  14.138
  854    H    LEU  22           H        LEU  22  -6.312  -4.708  11.184
  855    HA   LEU  22           HA       LEU  22  -8.452  -2.726  10.500
  856    HB2  LEU  22           HB2      LEU  22  -7.165  -5.008   9.041
  857    HB3  LEU  22           HB3      LEU  22  -8.928  -4.951   8.964
  858    HG   LEU  22           HG       LEU  22  -8.831  -2.709   7.979
  859   HD11  LEU  22          HD11      LEU  22  -6.585  -1.869   7.192
  860   HD12  LEU  22          HD12      LEU  22  -5.810  -3.069   8.256
  861   HD13  LEU  22          HD13      LEU  22  -6.815  -1.776   8.939
  862   HD21  LEU  22          HD21      LEU  22  -8.654  -4.798   6.599
  863   HD22  LEU  22          HD22      LEU  22  -6.877  -4.627   6.639
  864   HD23  LEU  22          HD23      LEU  22  -7.884  -3.388   5.849
  865    H    ASN  23           H        ASN  23  -7.568  -5.238  12.569
  866    HA   ASN  23           HA       ASN  23 -10.061  -5.219  13.877
  867    HB2  ASN  23           HB2      ASN  23 -10.764  -7.401  13.704
  868    HB3  ASN  23           HB3      ASN  23 -10.212  -7.147  12.065
  869   HD21  ASN  23          HD21      ASN  23  -7.244  -7.542  12.943
  870   HD22  ASN  23          HD22      ASN  23  -7.189  -9.279  13.189
  871    H    THR  24           H        THR  24  -9.826  -6.231  15.927
  872    HA   THR  24           HA       THR  24  -7.526  -5.897  17.459
  873    HB   THR  24           HB       THR  24  -9.860  -6.190  18.140
  874    HG1  THR  24           HG1      THR  24  -9.389  -6.837  20.022
  875   HG21  THR  24          HG21      THR  24 -10.323  -8.292  16.805
  876   HG22  THR  24          HG22      THR  24  -9.396  -9.186  18.029
  877   HG23  THR  24          HG23      THR  24 -10.882  -8.326  18.492
  878    HA   PRO  25           HA       PRO  25  -4.930  -9.308  16.134
  879    HB2  PRO  25           HB2      PRO  25  -3.016  -9.341  18.062
  880    HB3  PRO  25           HB3      PRO  25  -3.182  -7.969  16.922
  881    HG2  PRO  25           HG2      PRO  25  -4.341  -8.189  19.727
  882    HG3  PRO  25           HG3      PRO  25  -3.328  -6.874  19.069
  883    HD2  PRO  25           HD2      PRO  25  -6.040  -6.701  19.098
  884    HD3  PRO  25           HD3      PRO  25  -5.119  -6.078  17.700
  885    H    VAL  26           H        VAL  26  -4.545 -11.423  16.542
  886    HA   VAL  26           HA       VAL  26  -4.103 -13.139  18.283
  887    HB   VAL  26           HB       VAL  26  -5.771 -12.433  19.937
  888   HG11  VAL  26          HG11      VAL  26  -7.858 -13.794  18.152
  889   HG12  VAL  26          HG12      VAL  26  -7.751 -12.042  18.401
  890   HG13  VAL  26          HG13      VAL  26  -8.105 -13.111  19.766
  891   HG21  VAL  26          HG21      VAL  26  -6.205 -15.316  19.102
  892   HG22  VAL  26          HG22      VAL  26  -6.352 -14.603  20.713
  893   HG23  VAL  26          HG23      VAL  26  -4.761 -14.705  19.946
  894    H    ASP  27           H        ASP  27  -4.046 -15.169  17.477
  895    HA   ASP  27           HA       ASP  27  -5.915 -15.888  15.260
  896    HB2  ASP  27           HB2      ASP  27  -3.448 -14.996  14.696
  897    HB3  ASP  27           HB3      ASP  27  -3.026 -16.675  15.039
  898    H    LYS  28           H        LYS  28  -3.739 -17.028  17.831
  899    HA   LYS  28           HA       LYS  28  -5.576 -19.315  18.233
  900    HB2  LYS  28           HB2      LYS  28  -3.606 -20.096  16.811
  901    HB3  LYS  28           HB3      LYS  28  -2.553 -19.734  18.187
  902    HG2  LYS  28           HG2      LYS  28  -3.985 -21.306  19.585
  903    HG3  LYS  28           HG3      LYS  28  -4.909 -21.660  18.114
  904    HD2  LYS  28           HD2      LYS  28  -2.776 -22.473  17.044
  905    HD3  LYS  28           HD3      LYS  28  -1.949 -22.202  18.581
  906    HE2  LYS  28           HE2      LYS  28  -2.484 -24.546  18.384
  907    HE3  LYS  28           HE3      LYS  28  -3.463 -23.854  19.687
  908    HZ1  LYS  28           HZ1      LYS  28  -4.688 -25.345  18.094
  909    HZ2  LYS  28           HZ2      LYS  28  -4.467 -24.227  16.918
  910    HZ3  LYS  28           HZ3      LYS  28  -5.360 -23.862  18.252
  911    HN1  NH2  29           HN1      NH2  29  -5.322 -18.460  21.611
  912    HN2  NH2  29           HN2      NH2  29  -6.345 -18.844  20.240
  Start of MODEL    4
    1    H1   ASN  31           H1       ASN  31   6.792  15.037 -15.859
    2    H2   ASN  31           H2       ASN  31   8.113  15.743 -16.538
    3    H3   ASN  31           H3       ASN  31   8.297  14.566 -15.402
    4    HA   ASN  31           HA       ASN  31   7.097  14.216 -18.054
    5    HB2  ASN  31           HB2      ASN  31   9.839  13.356 -17.060
    6    HB3  ASN  31           HB3      ASN  31   9.086  12.758 -18.545
    7   HD21  ASN  31          HD21      ASN  31  11.502  14.072 -18.779
    8   HD22  ASN  31          HD22      ASN  31  11.203  15.653 -19.527
    9    H    SER  32           H        SER  32   8.764  11.637 -16.299
   10    HA   SER  32           HA       SER  32   6.290  10.437 -15.329
   11    HB2  SER  32           HB2      SER  32   7.837   9.134 -17.615
   12    HB3  SER  32           HB3      SER  32   6.636   8.314 -16.610
   13    HG   SER  32           HG       SER  32   6.236  10.465 -18.419
   14    H    GLY  33           H        GLY  33   6.670   8.871 -13.817
   15    HA2  GLY  33           HA2      GLY  33   8.989   7.298 -13.471
   16    HA3  GLY  33           HA3      GLY  33   9.197   8.730 -12.456
   17    H    LEU  34           H        LEU  34   6.520   9.134 -11.633
   18    HA   LEU  34           HA       LEU  34   5.867   6.668 -10.059
   19    HB2  LEU  34           HB2      LEU  34   5.660   9.613  -9.337
   20    HB3  LEU  34           HB3      LEU  34   4.978   8.332  -8.358
   21    HG   LEU  34           HG       LEU  34   7.952   8.665  -8.952
   22   HD11  LEU  34          HD11      LEU  34   6.289   9.225  -6.460
   23   HD12  LEU  34          HD12      LEU  34   7.017  10.444  -7.524
   24   HD13  LEU  34          HD13      LEU  34   8.061   9.365  -6.590
   25   HD21  LEU  34          HD21      LEU  34   6.456   6.756  -7.092
   26   HD22  LEU  34          HD22      LEU  34   8.214   7.001  -7.110
   27   HD23  LEU  34          HD23      LEU  34   7.420   6.307  -8.520
   28    HA   PRO  35           HA       PRO  35   1.882   6.795 -11.891
   29    HB2  PRO  35           HB2      PRO  35   0.301   5.515 -10.063
   30    HB3  PRO  35           HB3      PRO  35   1.618   4.692 -10.954
   31    HG2  PRO  35           HG2      PRO  35   1.741   5.908  -8.173
   32    HG3  PRO  35           HG3      PRO  35   2.241   4.257  -8.673
   33    HD2  PRO  35           HD2      PRO  35   4.027   6.278  -8.449
   34    HD3  PRO  35           HD3      PRO  35   4.169   5.081  -9.769
   35    H    THR  36           H        THR  36  -0.284   7.537 -11.740
   36    HA   THR  36           HA       THR  36  -0.978   9.585  -9.681
   37    HB   THR  36           HB       THR  36   0.028  10.723 -11.491
   38    HG1  THR  36           HG1      THR  36  -2.547  11.380 -12.123
   39   HG21  THR  36          HG21      THR  36  -1.037  10.864 -13.755
   40   HG22  THR  36          HG22      THR  36  -2.085   9.494 -13.318
   41   HG23  THR  36          HG23      THR  36  -0.323   9.284 -13.428
   42    H    THR  37           H        THR  37  -1.973   6.775 -11.314
   43    HA   THR  37           HA       THR  37  -4.602   7.140 -10.003
   44    HB   THR  37           HB       THR  37  -5.749   5.809 -11.626
   45    HG1  THR  37           HG1      THR  37  -3.695   5.780 -13.478
   46   HG21  THR  37          HG21      THR  37  -5.776   7.213 -13.589
   47   HG22  THR  37          HG22      THR  37  -4.190   7.906 -13.187
   48   HG23  THR  37          HG23      THR  37  -5.592   8.234 -12.152
   49    H    LEU  38           H        LEU  38  -5.522   5.181  -9.111
   50    HA   LEU  38           HA       LEU  38  -3.638   3.366  -7.970
   51    HB2  LEU  38           HB2      LEU  38  -6.640   3.318  -8.253
   52    HB3  LEU  38           HB3      LEU  38  -5.818   1.864  -7.732
   53    HG   LEU  38           HG       LEU  38  -5.680   4.544  -6.323
   54   HD11  LEU  38          HD11      LEU  38  -7.894   3.318  -6.215
   55   HD12  LEU  38          HD12      LEU  38  -7.102   3.508  -4.654
   56   HD13  LEU  38          HD13      LEU  38  -7.047   1.941  -5.491
   57   HD21  LEU  38          HD21      LEU  38  -4.592   1.805  -5.497
   58   HD22  LEU  38          HD22      LEU  38  -4.673   3.235  -4.447
   59   HD23  LEU  38          HD23      LEU  38  -3.620   3.245  -5.857
   60    H    GLY  39           H        GLY  39  -5.443   3.062 -11.025
   61    HA2  GLY  39           HA2      GLY  39  -5.097   0.411 -11.671
   62    HA3  GLY  39           HA3      GLY  39  -4.953   1.713 -12.853
   63    H    LYS  40           H        LYS  40  -2.579   2.932 -12.088
   64    HA   LYS  40           HA       LYS  40  -0.562   0.972 -13.003
   65    HB2  LYS  40           HB2      LYS  40  -0.401   3.955 -12.423
   66    HB3  LYS  40           HB3      LYS  40   0.877   3.000 -13.175
   67    HG2  LYS  40           HG2      LYS  40  -1.910   3.425 -14.366
   68    HG3  LYS  40           HG3      LYS  40  -0.472   4.336 -14.788
   69    HD2  LYS  40           HD2      LYS  40   0.645   2.320 -15.617
   70    HD3  LYS  40           HD3      LYS  40  -0.757   1.320 -15.202
   71    HE2  LYS  40           HE2      LYS  40  -0.979   3.738 -17.035
   72    HE3  LYS  40           HE3      LYS  40  -0.498   2.147 -17.643
   73    HZ1  LYS  40           HZ1      LYS  40  -2.580   1.231 -16.874
   74    HZ2  LYS  40           HZ2      LYS  40  -3.060   2.678 -16.232
   75    HZ3  LYS  40           HZ3      LYS  40  -2.877   2.515 -17.850
   76    H    LEU  41           H        LEU  41  -1.235   2.819 -10.018
   77    HA   LEU  41           HA       LEU  41   1.219   2.120  -8.691
   78    HB2  LEU  41           HB2      LEU  41  -0.339   3.945  -8.061
   79    HB3  LEU  41           HB3      LEU  41  -1.512   2.767  -7.487
   80    HG   LEU  41           HG       LEU  41   1.299   2.662  -6.380
   81   HD11  LEU  41          HD11      LEU  41  -0.827   4.677  -5.522
   82   HD12  LEU  41          HD12      LEU  41   0.764   5.047  -6.229
   83   HD13  LEU  41          HD13      LEU  41   0.660   4.313  -4.628
   84   HD21  LEU  41          HD21      LEU  41  -0.421   0.996  -5.618
   85   HD22  LEU  41          HD22      LEU  41  -1.425   2.328  -5.029
   86   HD23  LEU  41          HD23      LEU  41   0.173   2.019  -4.308
   87    H    ASP  42           H        ASP  42  -1.944   0.504  -8.807
   88    HA   ASP  42           HA       ASP  42  -1.450  -1.709  -7.089
   89    HB2  ASP  42           HB2      ASP  42  -3.649  -0.908  -8.038
   90    HB3  ASP  42           HB3      ASP  42  -3.132  -1.422  -9.638
   91    H    GLU  43           H        GLU  43  -0.700  -1.312 -10.549
   92    HA   GLU  43           HA       GLU  43   0.210  -4.048 -10.906
   93    HB2  GLU  43           HB2      GLU  43  -0.450  -2.471 -12.771
   94    HB3  GLU  43           HB3      GLU  43   1.053  -1.582 -12.491
   95    HG2  GLU  43           HG2      GLU  43   2.345  -3.685 -12.933
   96    HG3  GLU  43           HG3      GLU  43   0.827  -4.541 -13.218
   97    H    ARG  44           H        ARG  44   1.809  -0.971  -9.955
   98    HA   ARG  44           HA       ARG  44   4.427  -2.171  -9.781
   99    HB2  ARG  44           HB2      ARG  44   3.788   0.367  -9.855
  100    HB3  ARG  44           HB3      ARG  44   3.629   0.219  -8.096
  101    HG2  ARG  44           HG2      ARG  44   5.919  -0.730  -7.994
  102    HG3  ARG  44           HG3      ARG  44   6.077  -0.614  -9.745
  103    HD2  ARG  44           HD2      ARG  44   5.732   1.763  -7.871
  104    HD3  ARG  44           HD3      ARG  44   7.262   1.136  -8.502
  105    HE   ARG  44           HE       ARG  44   5.347   1.793 -10.605
  106   HH11  ARG  44          HH11      ARG  44   8.053   3.054  -8.707
  107   HH12  ARG  44          HH12      ARG  44   8.312   4.372  -9.803
  108   HH21  ARG  44          HH21      ARG  44   5.725   3.510 -11.937
  109   HH22  ARG  44          HH22      ARG  44   7.031   4.637 -11.545
  110    H    LEU  45           H        LEU  45   1.887  -1.661  -7.247
  111    HA   LEU  45           HA       LEU  45   3.406  -2.814  -5.115
  112    HB2  LEU  45           HB2      LEU  45   0.422  -2.580  -5.574
  113    HB3  LEU  45           HB3      LEU  45   1.131  -3.252  -4.107
  114    HG   LEU  45           HG       LEU  45   1.492  -0.401  -5.106
  115   HD11  LEU  45          HD11      LEU  45  -0.697  -0.836  -4.136
  116   HD12  LEU  45          HD12      LEU  45   0.286   0.064  -2.958
  117   HD13  LEU  45          HD13      LEU  45   0.027  -1.678  -2.760
  118   HD21  LEU  45          HD21      LEU  45   2.588  -0.038  -2.867
  119   HD22  LEU  45          HD22      LEU  45   3.561  -0.959  -4.000
  120   HD23  LEU  45          HD23      LEU  45   2.701  -1.793  -2.683
  121    H    ARG  46           H        ARG  46   1.321  -4.497  -7.494
  122    HA   ARG  46           HA       ARG  46   1.666  -7.117  -6.235
  123    HB2  ARG  46           HB2      ARG  46   0.904  -6.287  -9.066
  124    HB3  ARG  46           HB3      ARG  46   0.926  -7.967  -8.490
  125    HG2  ARG  46           HG2      ARG  46  -0.725  -7.451  -6.749
  126    HG3  ARG  46           HG3      ARG  46  -0.706  -5.743  -7.189
  127    HD2  ARG  46           HD2      ARG  46  -1.406  -6.589  -9.564
  128    HD3  ARG  46           HD3      ARG  46  -1.863  -8.070  -8.712
  129    HE   ARG  46           HE       ARG  46  -2.953  -5.303  -8.294
  130   HH11  ARG  46          HH11      ARG  46  -3.773  -8.726  -8.122
  131   HH12  ARG  46          HH12      ARG  46  -5.298  -8.312  -7.354
  132   HH21  ARG  46          HH21      ARG  46  -4.697  -4.971  -7.149
  133   HH22  ARG  46          HH22      ARG  46  -5.663  -6.345  -6.581
  134    H    ASN  47           H        ASN  47   3.634  -5.158  -8.394
  135    HA   ASN  47           HA       ASN  47   5.577  -7.366  -8.752
  136    HB2  ASN  47           HB2      ASN  47   5.510  -4.483  -9.668
  137    HB3  ASN  47           HB3      ASN  47   6.956  -5.485  -9.754
  138   HD21  ASN  47          HD21      ASN  47   3.764  -4.981 -11.151
  139   HD22  ASN  47          HD22      ASN  47   3.960  -6.203 -12.395
  140    H    TYR  48           H        TYR  48   5.306  -4.538  -6.511
  141    HA   TYR  48           HA       TYR  48   7.749  -5.022  -5.246
  142    HB2  TYR  48           HB2      TYR  48   5.136  -3.940  -4.173
  143    HB3  TYR  48           HB3      TYR  48   6.443  -4.252  -3.140
  144    HD1  TYR  48           HD1      TYR  48   5.242  -1.959  -5.755
  145    HD2  TYR  48           HD2      TYR  48   8.319  -2.795  -2.886
  146    HE1  TYR  48           HE1      TYR  48   5.985   0.403  -5.878
  147    HE2  TYR  48           HE2      TYR  48   9.054  -0.441  -3.005
  148    HH   TYR  48           HH       TYR  48   8.895   1.494  -4.160
  149    H    LEU  49           H        LEU  49   4.690  -6.785  -4.774
  150    HA   LEU  49           HA       LEU  49   5.662  -8.361  -2.576
  151    HB2  LEU  49           HB2      LEU  49   3.514  -8.766  -4.686
  152    HB3  LEU  49           HB3      LEU  49   3.898 -10.073  -3.569
  153    HG   LEU  49           HG       LEU  49   3.265  -7.298  -2.558
  154   HD11  LEU  49          HD11      LEU  49   1.333  -8.015  -3.890
  155   HD12  LEU  49          HD12      LEU  49   0.949  -8.167  -2.169
  156   HD13  LEU  49          HD13      LEU  49   1.349  -9.617  -3.107
  157   HD21  LEU  49          HD21      LEU  49   3.081 -10.053  -1.271
  158   HD22  LEU  49          HD22      LEU  49   2.614  -8.514  -0.510
  159   HD23  LEU  49          HD23      LEU  49   4.290  -8.798  -0.944
  160    H    LYS  50           H        LYS  50   5.740  -9.147  -6.088
  161    HA   LYS  50           HA       LYS  50   7.149 -11.640  -5.680
  162    HB2  LYS  50           HB2      LYS  50   7.158  -9.817  -8.105
  163    HB3  LYS  50           HB3      LYS  50   7.665 -11.513  -8.018
  164    HG2  LYS  50           HG2      LYS  50   5.420 -12.274  -7.550
  165    HG3  LYS  50           HG3      LYS  50   4.807 -10.620  -7.434
  166    HD2  LYS  50           HD2      LYS  50   6.010 -11.841  -9.952
  167    HD3  LYS  50           HD3      LYS  50   4.279 -11.729  -9.605
  168    HE2  LYS  50           HE2      LYS  50   4.423  -9.262  -9.478
  169    HE3  LYS  50           HE3      LYS  50   6.164  -9.332  -9.788
  170    HZ1  LYS  50           HZ1      LYS  50   5.649 -10.402 -11.930
  171    HZ2  LYS  50           HZ2      LYS  50   5.114  -8.873 -11.824
  172    HZ3  LYS  50           HZ3      LYS  50   4.034 -10.118 -11.686
  173    H    LYS  51           H        LYS  51   8.349  -8.364  -6.447
  174    HA   LYS  51           HA       LYS  51  11.151  -9.008  -6.394
  175    HB2  LYS  51           HB2      LYS  51   9.642  -6.424  -6.022
  176    HB3  LYS  51           HB3      LYS  51  11.414  -6.546  -6.060
  177    HG2  LYS  51           HG2      LYS  51  11.302  -7.555  -8.310
  178    HG3  LYS  51           HG3      LYS  51   9.526  -7.317  -8.299
  179    HD2  LYS  51           HD2      LYS  51   9.772  -4.946  -8.190
  180    HD3  LYS  51           HD3      LYS  51  11.546  -5.105  -7.981
  181    HE2  LYS  51           HE2      LYS  51  11.866  -5.900 -10.167
  182    HE3  LYS  51           HE3      LYS  51  10.122  -6.121 -10.434
  183    HZ1  LYS  51           HZ1      LYS  51   9.860  -3.712 -10.298
  184    HZ2  LYS  51           HZ2      LYS  51  10.869  -4.114 -11.516
  185    HZ3  LYS  51           HZ3      LYS  51  11.482  -3.486 -10.124
  186    H    GLY  52           H        GLY  52   8.908  -8.651  -3.757
  187    HA2  GLY  52           HA2      GLY  52  11.117  -7.998  -1.865
  188    HA3  GLY  52           HA3      GLY  52   9.489  -7.370  -1.843
  189    H    THR  53           H        THR  53   8.601 -10.484  -2.289
  190    HA   THR  53           HA       THR  53   8.981 -11.268   0.563
  191    HB   THR  53           HB       THR  53   6.767 -12.023   0.589
  192    HG1  THR  53           HG1      THR  53   6.629 -11.277  -2.186
  193   HG21  THR  53          HG21      THR  53   5.462 -10.096   0.457
  194   HG22  THR  53          HG22      THR  53   6.519  -9.358  -0.784
  195   HG23  THR  53          HG23      THR  53   7.090  -9.557   0.872
  196    H    LYS  54           H        LYS  54   8.994 -13.512   1.061
  197    HA   LYS  54           HA       LYS  54  10.370 -15.051  -0.916
  198    HB2  LYS  54           HB2      LYS  54  10.721 -16.681   0.703
  199    HB3  LYS  54           HB3      LYS  54  10.623 -15.182   1.622
  200    HG2  LYS  54           HG2      LYS  54   8.179 -15.820   2.076
  201    HG3  LYS  54           HG3      LYS  54   8.552 -17.393   1.409
  202    HD2  LYS  54           HD2      LYS  54  10.330 -17.653   3.142
  203    HD3  LYS  54           HD3      LYS  54   9.891 -16.057   3.806
  204    HE2  LYS  54           HE2      LYS  54   7.663 -16.807   4.380
  205    HE3  LYS  54           HE3      LYS  54   7.882 -18.325   3.492
  206    HZ1  LYS  54           HZ1      LYS  54   9.375 -17.551   5.934
  207    HZ2  LYS  54           HZ2      LYS  54   8.186 -18.710   5.837
  208    HZ3  LYS  54           HZ3      LYS  54   9.621 -18.925   5.076
  209    H    ASN  55           H        ASN  55   7.024 -14.882   0.035
  210    HA   ASN  55           HA       ASN  55   6.166 -16.494  -2.221
  211    HB2  ASN  55           HB2      ASN  55   6.638 -18.212  -0.497
  212    HB3  ASN  55           HB3      ASN  55   5.818 -17.245   0.731
  213   HD21  ASN  55          HD21      ASN  55   4.503 -19.038   1.290
  214   HD22  ASN  55          HD22      ASN  55   3.149 -19.473   0.265
  215    H    SER  56           H        SER  56   5.145 -14.747  -3.010
  216    HA   SER  56           HA       SER  56   3.355 -12.961  -1.810
  217    HB2  SER  56           HB2      SER  56   2.471 -12.694  -4.161
  218    HB3  SER  56           HB3      SER  56   4.235 -12.587  -4.028
  219    HG   SER  56           HG       SER  56   3.156 -14.069  -5.740
  220    H    ALA  57           H        ALA  57   2.699 -16.328  -2.717
  221    HA   ALA  57           HA       ALA  57   0.007 -16.035  -3.392
  222    HB1  ALA  57           HB1      ALA  57  -0.085 -18.471  -3.305
  223    HB2  ALA  57           HB2      ALA  57   1.382 -18.522  -2.308
  224    HB3  ALA  57           HB3      ALA  57   1.464 -17.952  -3.995
  225    H    GLN  58           H        GLN  58   1.263 -16.114  -0.184
  226    HA   GLN  58           HA       GLN  58  -1.120 -17.134   1.141
  227    HB2  GLN  58           HB2      GLN  58   0.092 -16.630   3.179
  228    HB3  GLN  58           HB3      GLN  58   1.186 -17.401   2.029
  229    HG2  GLN  58           HG2      GLN  58   2.038 -15.051   1.420
  230    HG3  GLN  58           HG3      GLN  58   1.066 -14.427   2.727
  231   HE21  GLN  58          HE21      GLN  58   4.099 -15.217   1.859
  232   HE22  GLN  58          HE22      GLN  58   4.724 -15.493   3.458
  233    H    PHE  59           H        PHE  59  -0.254 -14.048  -0.154
  234    HA   PHE  59           HA       PHE  59  -1.684 -12.451   1.824
  235    HB2  PHE  59           HB2      PHE  59  -0.301 -11.757  -0.764
  236    HB3  PHE  59           HB3      PHE  59  -1.166 -10.592   0.228
  237    HD1  PHE  59           HD1      PHE  59  -0.444 -10.078   2.560
  238    HD2  PHE  59           HD2      PHE  59   1.929 -12.564  -0.025
  239    HE1  PHE  59           HE1      PHE  59   1.494  -9.796   4.076
  240    HE2  PHE  59           HE2      PHE  59   3.872 -12.262   1.464
  241    HZ   PHE  59           HZ       PHE  59   3.666 -10.878   3.521
  242    H    GLU  60           H        GLU  60  -3.457 -11.080   1.393
  243    HA   GLU  60           HA       GLU  60  -5.557 -12.403  -0.317
  244    HB2  GLU  60           HB2      GLU  60  -5.676 -13.024   2.005
  245    HB3  GLU  60           HB3      GLU  60  -5.551 -11.345   2.538
  246    HG2  GLU  60           HG2      GLU  60  -7.773 -10.914   1.414
  247    HG3  GLU  60           HG3      GLU  60  -7.892 -12.652   1.117
  248    H    LYS  61           H        LYS  61  -4.694  -9.382   1.409
  249    HA   LYS  61           HA       LYS  61  -5.371  -7.799  -0.936
  250    HB2  LYS  61           HB2      LYS  61  -7.022  -6.408   0.021
  251    HB3  LYS  61           HB3      LYS  61  -7.548  -8.058   0.276
  252    HG2  LYS  61           HG2      LYS  61  -6.802  -7.890   2.673
  253    HG3  LYS  61           HG3      LYS  61  -6.312  -6.205   2.383
  254    HD2  LYS  61           HD2      LYS  61  -8.553  -5.540   1.818
  255    HD3  LYS  61           HD3      LYS  61  -9.080  -7.221   1.715
  256    HE2  LYS  61           HE2      LYS  61  -8.345  -7.274   4.271
  257    HE3  LYS  61           HE3      LYS  61  -8.529  -5.525   4.120
  258    HZ1  LYS  61           HZ1      LYS  61 -10.586  -7.614   3.716
  259    HZ2  LYS  61           HZ2      LYS  61 -10.813  -6.046   3.195
  260    HZ3  LYS  61           HZ3      LYS  61 -10.645  -6.343   4.771
  261    H    MET  62           H        MET  62  -5.188  -5.431  -0.314
  262    HA   MET  62           HA       MET  62  -2.977  -4.841   1.547
  263    HB2  MET  62           HB2      MET  62  -1.568  -3.808  -0.145
  264    HB3  MET  62           HB3      MET  62  -1.839  -5.508  -0.510
  265    HG2  MET  62           HG2      MET  62  -3.602  -4.836  -2.171
  266    HG3  MET  62           HG3      MET  62  -3.200  -3.143  -1.859
  267    HE1  MET  62           HE1      MET  62  -3.301  -4.167  -4.681
  268    HE2  MET  62           HE2      MET  62  -1.758  -3.682  -5.421
  269    HE3  MET  62           HE3      MET  62  -2.615  -2.560  -4.339
  270    H    VAL  63           H        VAL  63  -2.531  -2.526   1.730
  271    HA   VAL  63           HA       VAL  63  -4.678  -0.697   0.887
  272    HB   VAL  63           HB       VAL  63  -5.448  -1.669   3.015
  273   HG11  VAL  63          HG11      VAL  63  -4.371  -1.670   4.954
  274   HG12  VAL  63          HG12      VAL  63  -3.197  -0.383   4.500
  275   HG13  VAL  63          HG13      VAL  63  -3.035  -2.023   3.869
  276   HG21  VAL  63          HG21      VAL  63  -4.628   1.236   3.394
  277   HG22  VAL  63          HG22      VAL  63  -5.838   0.338   4.332
  278   HG23  VAL  63          HG23      VAL  63  -6.120   0.656   2.623
  279    H    ILE  64           H        ILE  64  -4.019   1.352   0.607
  280    HA   ILE  64           HA       ILE  64  -1.099   1.920   0.802
  281    HB   ILE  64           HB       ILE  64  -3.116   3.001  -1.219
  282   HG12  ILE  64          HG12      ILE  64  -1.580   1.493  -2.789
  283   HG13  ILE  64          HG13      ILE  64  -1.405   0.517  -1.343
  284   HG21  ILE  64          HG21      ILE  64  -0.067   3.016  -1.126
  285   HG22  ILE  64          HG22      ILE  64  -1.125   4.424  -0.872
  286   HG23  ILE  64          HG23      ILE  64  -1.061   3.660  -2.452
  287   HD11  ILE  64          HD11      ILE  64  -3.829   0.096  -1.338
  288   HD12  ILE  64          HD12      ILE  64  -3.142  -0.260  -2.927
  289   HD13  ILE  64          HD13      ILE  64  -4.042   1.246  -2.683
  290    H    LEU  65           H        LEU  65  -0.453   3.840   1.636
  291    HA   LEU  65           HA       LEU  65  -2.490   5.826   2.556
  292    HB2  LEU  65           HB2      LEU  65   0.082   4.971   3.936
  293    HB3  LEU  65           HB3      LEU  65  -0.955   6.284   4.453
  294    HG   LEU  65           HG       LEU  65  -1.584   3.302   4.456
  295   HD11  LEU  65          HD11      LEU  65  -0.123   4.232   6.270
  296   HD12  LEU  65          HD12      LEU  65  -1.643   3.519   6.861
  297   HD13  LEU  65          HD13      LEU  65  -1.458   5.284   6.760
  298   HD21  LEU  65          HD21      LEU  65  -3.698   4.454   3.953
  299   HD22  LEU  65          HD22      LEU  65  -3.416   5.599   5.284
  300   HD23  LEU  65          HD23      LEU  65  -3.695   3.874   5.618
  301    H    THR  66           H        THR  66  -2.147   7.834   1.791
  302    HA   THR  66           HA       THR  66   0.460   8.384   0.422
  303    HB   THR  66           HB       THR  66  -0.718   9.531  -1.322
  304    HG1  THR  66           HG1      THR  66  -2.446  10.370  -0.221
  305   HG21  THR  66          HG21      THR  66  -1.915   7.761  -2.427
  306   HG22  THR  66          HG22      THR  66  -2.182   6.900  -0.899
  307   HG23  THR  66          HG23      THR  66  -0.540   7.052  -1.572
  308    H    GLU  67           H        GLU  67   0.770  10.791  -0.137
  309    HA   GLU  67           HA       GLU  67   0.363  12.573   2.059
  310    HB2  GLU  67           HB2      GLU  67   0.239  13.585  -0.764
  311    HB3  GLU  67           HB3      GLU  67   0.850  14.374   0.661
  312    HG2  GLU  67           HG2      GLU  67   2.883  13.108   0.628
  313    HG3  GLU  67           HG3      GLU  67   2.268  11.997  -0.600
  314    H    ASN  68           H        ASN  68  -1.135  14.548   1.887
  315    HA   ASN  68           HA       ASN  68  -3.251  15.346   2.139
  316    HB2  ASN  68           HB2      ASN  68  -3.594  14.069  -0.595
  317    HB3  ASN  68           HB3      ASN  68  -4.603  15.345   0.045
  318   HD21  ASN  68          HD21      ASN  68  -2.172  14.913  -2.080
  319   HD22  ASN  68          HD22      ASN  68  -1.198  16.350  -1.781
  320    H    LYS  69           H        LYS  69  -2.798  12.972   3.469
  321    HA   LYS  69           HA       LYS  69  -3.689  11.176   4.504
  322    HB2  LYS  69           HB2      LYS  69  -6.046  13.085   4.697
  323    HB3  LYS  69           HB3      LYS  69  -5.763  11.676   5.730
  324    HG2  LYS  69           HG2      LYS  69  -3.513  12.682   6.361
  325    HG3  LYS  69           HG3      LYS  69  -4.001  14.146   5.499
  326    HD2  LYS  69           HD2      LYS  69  -4.364  14.468   7.822
  327    HD3  LYS  69           HD3      LYS  69  -5.948  14.373   7.042
  328    HE2  LYS  69           HE2      LYS  69  -6.365  12.169   7.886
  329    HE3  LYS  69           HE3      LYS  69  -4.668  11.945   8.332
  330    HZ1  LYS  69           HZ1      LYS  69  -4.897  13.638  10.005
  331    HZ2  LYS  69           HZ2      LYS  69  -5.981  12.477  10.296
  332    HZ3  LYS  69           HZ3      LYS  69  -6.473  13.911   9.662
  333    H    GLY  70           H        GLY  70  -3.963  10.822   1.651
  334    HA2  GLY  70           HA2      GLY  70  -6.423   9.446   1.089
  335    HA3  GLY  70           HA3      GLY  70  -4.899   9.183   0.267
  336    H    TYR  71           H        TYR  71  -7.098   7.479   1.438
  337    HA   TYR  71           HA       TYR  71  -5.386   5.270   2.430
  338    HB2  TYR  71           HB2      TYR  71  -6.417   6.107   4.454
  339    HB3  TYR  71           HB3      TYR  71  -7.979   6.258   3.674
  340    HD1  TYR  71           HD1      TYR  71  -9.209   4.116   2.923
  341    HD2  TYR  71           HD2      TYR  71  -5.944   4.108   5.752
  342    HE1  TYR  71           HE1      TYR  71  -9.951   1.914   3.768
  343    HE2  TYR  71           HE2      TYR  71  -6.754   1.951   6.641
  344    HH   TYR  71           HH       TYR  71  -9.588   0.237   5.262
  345    H    TYR  72           H        TYR  72  -5.686   3.595   1.069
  346    HA   TYR  72           HA       TYR  72  -8.297   3.180  -0.331
  347    HB2  TYR  72           HB2      TYR  72  -5.580   3.182  -1.704
  348    HB3  TYR  72           HB3      TYR  72  -7.135   2.868  -2.444
  349    HD1  TYR  72           HD1      TYR  72  -8.806   4.777  -2.689
  350    HD2  TYR  72           HD2      TYR  72  -4.708   5.393  -1.491
  351    HE1  TYR  72           HE1      TYR  72  -8.948   7.150  -3.423
  352    HE2  TYR  72           HE2      TYR  72  -4.850   7.771  -2.236
  353    HH   TYR  72           HH       TYR  72  -7.871   9.143  -3.586
  354    H    THR  73           H        THR  73  -8.791   0.953  -0.446
  355    HA   THR  73           HA       THR  73  -6.517  -0.971  -0.211
  356    HB   THR  73           HB       THR  73  -7.566  -1.003   1.934
  357    HG1  THR  73           HG1      THR  73  -6.931  -2.970   0.970
  358   HG21  THR  73          HG21      THR  73 -10.198  -1.513   0.494
  359   HG22  THR  73          HG22      THR  73  -9.789  -0.170   1.583
  360   HG23  THR  73          HG23      THR  73  -9.911  -1.814   2.220
  361    H    VAL  74           H        VAL  74  -6.557  -2.834  -1.321
  362    HA   VAL  74           HA       VAL  74  -8.713  -3.416  -3.252
  363    HB   VAL  74           HB       VAL  74  -5.822  -2.870  -4.070
  364   HG11  VAL  74          HG11      VAL  74  -8.204  -3.759  -5.763
  365   HG12  VAL  74          HG12      VAL  74  -6.752  -4.720  -5.395
  366   HG13  VAL  74          HG13      VAL  74  -6.602  -3.273  -6.372
  367   HG21  VAL  74          HG21      VAL  74  -6.912  -1.130  -5.578
  368   HG22  VAL  74          HG22      VAL  74  -6.993  -0.747  -3.866
  369   HG23  VAL  74          HG23      VAL  74  -8.430  -1.397  -4.694
  370    H    TYR  75           H        TYR  75  -8.718  -5.624  -3.860
  371    HA   TYR  75           HA       TYR  75  -7.307  -7.430  -2.037
  372    HB2  TYR  75           HB2      TYR  75  -9.472  -7.700  -4.090
  373    HB3  TYR  75           HB3      TYR  75  -8.562  -9.122  -3.642
  374    HD1  TYR  75           HD1      TYR  75 -10.495  -6.307  -2.035
  375    HD2  TYR  75           HD2      TYR  75  -9.053 -10.353  -1.720
  376    HE1  TYR  75           HE1      TYR  75 -11.909  -6.655  -0.026
  377    HE2  TYR  75           HE2      TYR  75 -10.467 -10.707   0.271
  378    HH   TYR  75           HH       TYR  75 -11.983  -9.812   1.681
  379    H    LEU  76           H        LEU  76  -6.037  -9.156  -2.586
  380    HA   LEU  76           HA       LEU  76  -4.393  -8.912  -5.077
  381    HB2  LEU  76           HB2      LEU  76  -3.861 -10.110  -2.334
  382    HB3  LEU  76           HB3      LEU  76  -2.788 -10.349  -3.707
  383    HG   LEU  76           HG       LEU  76  -3.544  -7.558  -2.725
  384   HD11  LEU  76          HD11      LEU  76  -2.483  -8.774  -0.892
  385   HD12  LEU  76          HD12      LEU  76  -1.412  -7.543  -1.576
  386   HD13  LEU  76          HD13      LEU  76  -1.153  -9.263  -1.970
  387   HD21  LEU  76          HD21      LEU  76  -2.629  -7.591  -4.995
  388   HD22  LEU  76          HD22      LEU  76  -1.293  -8.649  -4.478
  389   HD23  LEU  76          HD23      LEU  76  -1.397  -6.980  -3.892
  390    H    ASN  77           H        ASN  77  -6.643 -10.984  -3.397
  391    HA   ASN  77           HA       ASN  77  -6.214 -13.435  -4.732
  392    HB2  ASN  77           HB2      ASN  77  -8.829 -12.069  -3.975
  393    HB3  ASN  77           HB3      ASN  77  -8.683 -13.770  -4.401
  394   HD21  ASN  77          HD21      ASN  77  -9.785 -12.731  -2.004
  395   HD22  ASN  77          HD22      ASN  77  -8.772 -13.314  -0.685
  396    H    THR  78           H        THR  78  -7.459 -10.374  -6.075
  397    HA   THR  78           HA       THR  78  -8.074 -11.555  -8.696
  398    HB   THR  78           HB       THR  78 -10.217 -10.421  -8.742
  399    HG1  THR  78           HG1      THR  78 -10.478  -9.849  -6.104
  400   HG21  THR  78          HG21      THR  78 -10.251 -12.715  -7.790
  401   HG22  THR  78          HG22      THR  78 -10.183 -12.014  -6.158
  402   HG23  THR  78          HG23      THR  78 -11.570 -11.682  -7.210
  403    HA   PRO  79           HA       PRO  79  -6.490  -7.530  -9.941
  404    HB2  PRO  79           HB2      PRO  79  -7.557  -7.263 -12.443
  405    HB3  PRO  79           HB3      PRO  79  -6.314  -8.496 -12.056
  406    HG2  PRO  79           HG2      PRO  79  -9.310  -8.848 -12.021
  407    HG3  PRO  79           HG3      PRO  79  -8.120  -9.839 -12.951
  408    HD2  PRO  79           HD2      PRO  79  -9.135 -10.585 -10.575
  409    HD3  PRO  79           HD3      PRO  79  -7.401 -10.862 -10.889
  410    H    LEU  80           H        LEU  80  -7.053  -5.384 -10.072
  411    HA   LEU  80           HA       LEU  80  -9.395  -4.721  -8.599
  412    HB2  LEU  80           HB2      LEU  80  -8.419  -2.779  -8.134
  413    HB3  LEU  80           HB3      LEU  80  -6.986  -3.656  -8.633
  414    HG   LEU  80           HG       LEU  80  -8.526  -1.636 -10.324
  415   HD11  LEU  80          HD11      LEU  80  -7.371  -0.660  -8.361
  416   HD12  LEU  80          HD12      LEU  80  -6.667  -0.135  -9.901
  417   HD13  LEU  80          HD13      LEU  80  -5.855  -1.374  -8.922
  418   HD21  LEU  80          HD21      LEU  80  -7.306  -3.298 -11.726
  419   HD22  LEU  80          HD22      LEU  80  -5.808  -2.891 -10.854
  420   HD23  LEU  80          HD23      LEU  80  -6.625  -1.670 -11.845
  421    H    ALA  81           H        ALA  81 -10.859  -2.894  -9.021
  422    HA   ALA  81           HA       ALA  81 -12.431  -3.307 -11.374
  423    HB1  ALA  81           HB1      ALA  81 -13.790  -1.465 -10.439
  424    HB2  ALA  81           HB2      ALA  81 -12.485  -1.063  -9.303
  425    HB3  ALA  81           HB3      ALA  81 -13.331  -2.619  -9.180
  426    H    GLU  82           H        GLU  82 -12.759  -2.094 -13.232
  427    HA   GLU  82           HA       GLU  82 -10.662  -0.440 -14.265
  428    HB2  GLU  82           HB2      GLU  82 -13.519  -0.855 -15.186
  429    HB3  GLU  82           HB3      GLU  82 -12.304   0.067 -16.088
  430    HG2  GLU  82           HG2      GLU  82 -10.835  -1.938 -16.162
  431    HG3  GLU  82           HG3      GLU  82 -12.091  -2.879 -15.347
  432    H    ASP  83           H        ASP  83 -13.414   0.512 -12.265
  433    HA   ASP  83           HA       ASP  83 -13.242   3.366 -12.858
  434    HB2  ASP  83           HB2      ASP  83 -14.154   1.863 -10.381
  435    HB3  ASP  83           HB3      ASP  83 -14.296   3.611 -10.581
  436    H    ARG  84           H        ARG  84 -11.516   1.171 -10.683
  437    HA   ARG  84           HA       ARG  84  -9.940   3.279  -9.377
  438    HB2  ARG  84           HB2      ARG  84  -9.767   0.236  -9.300
  439    HB3  ARG  84           HB3      ARG  84  -8.724   1.328  -8.397
  440    HG2  ARG  84           HG2      ARG  84 -10.643   2.256  -7.187
  441    HG3  ARG  84           HG3      ARG  84 -11.762   1.240  -8.105
  442    HD2  ARG  84           HD2      ARG  84 -10.847  -0.784  -7.144
  443    HD3  ARG  84           HD3      ARG  84  -9.544   0.117  -6.348
  444    HE   ARG  84           HE       ARG  84 -11.671   1.329  -5.241
  445   HH11  ARG  84          HH11      ARG  84 -11.170  -2.162  -5.556
  446   HH12  ARG  84          HH12      ARG  84 -11.718  -2.419  -3.903
  447   HH21  ARG  84          HH21      ARG  84 -12.684   0.774  -3.288
  448   HH22  ARG  84          HH22      ARG  84 -12.878  -0.924  -2.926
  449    H    LYS  85           H        LYS  85  -9.750   1.639 -12.409
  450    HA   LYS  85           HA       LYS  85  -6.926   2.340 -12.865
  451    HB2  LYS  85           HB2      LYS  85  -9.101   1.585 -14.849
  452    HB3  LYS  85           HB3      LYS  85  -7.420   1.897 -15.242
  453    HG2  LYS  85           HG2      LYS  85  -6.748   0.038 -13.671
  454    HG3  LYS  85           HG3      LYS  85  -8.467  -0.368 -13.489
  455    HD2  LYS  85           HD2      LYS  85  -8.621  -0.688 -15.971
  456    HD3  LYS  85           HD3      LYS  85  -6.906  -0.268 -16.102
  457    HE2  LYS  85           HE2      LYS  85  -6.404  -2.233 -14.550
  458    HE3  LYS  85           HE3      LYS  85  -8.107  -2.700 -14.720
  459    HZ1  LYS  85           HZ1      LYS  85  -7.734  -2.804 -17.136
  460    HZ2  LYS  85           HZ2      LYS  85  -6.772  -3.857 -16.325
  461    HZ3  LYS  85           HZ3      LYS  85  -6.128  -2.468 -16.920
  462    H    ASN  86           H        ASN  86  -9.803   4.140 -12.742
  463    HA   ASN  86           HA       ASN  86  -8.645   6.380 -14.352
  464    HB2  ASN  86           HB2      ASN  86 -11.485   5.846 -13.389
  465    HB3  ASN  86           HB3      ASN  86 -10.970   7.237 -14.321
  466   HD21  ASN  86          HD21      ASN  86 -12.934   6.221 -15.416
  467   HD22  ASN  86          HD22      ASN  86 -12.544   5.176 -16.779
  468    H    VAL  87           H        VAL  87  -9.330   5.520 -11.033
  469    HA   VAL  87           HA       VAL  87 -10.077   8.055 -10.046
  470    HB   VAL  87           HB       VAL  87 -10.414   5.853  -8.939
  471   HG11  VAL  87          HG11      VAL  87  -7.608   6.141  -7.816
  472   HG12  VAL  87          HG12      VAL  87  -8.025   5.052  -9.149
  473   HG13  VAL  87          HG13      VAL  87  -8.789   4.840  -7.559
  474   HG21  VAL  87          HG21      VAL  87 -10.792   7.988  -7.742
  475   HG22  VAL  87          HG22      VAL  87  -9.118   7.954  -7.152
  476   HG23  VAL  87          HG23      VAL  87 -10.265   6.691  -6.663
  477    H    GLU  88           H        GLU  88  -9.007   9.843  -9.394
  478    HA   GLU  88           HA       GLU  88  -6.152  10.193  -9.892
  479    HB2  GLU  88           HB2      GLU  88  -8.268  11.834  -8.405
  480    HB3  GLU  88           HB3      GLU  88  -6.617  12.386  -8.640
  481    HG2  GLU  88           HG2      GLU  88  -8.513  11.716 -10.938
  482    HG3  GLU  88           HG3      GLU  88  -8.351  13.321 -10.227
  483    H    LEU  89           H        LEU  89  -4.507   9.642  -8.566
  484    HA   LEU  89           HA       LEU  89  -4.857   8.777  -5.817
  485    HB2  LEU  89           HB2      LEU  89  -2.500   9.560  -7.575
  486    HB3  LEU  89           HB3      LEU  89  -2.247   9.179  -5.894
  487    HG   LEU  89           HG       LEU  89  -3.438   7.303  -7.967
  488   HD11  LEU  89          HD11      LEU  89  -0.749   7.228  -6.536
  489   HD12  LEU  89          HD12      LEU  89  -0.992   7.774  -8.197
  490   HD13  LEU  89          HD13      LEU  89  -1.335   6.092  -7.779
  491   HD21  LEU  89          HD21      LEU  89  -2.731   6.798  -5.045
  492   HD22  LEU  89          HD22      LEU  89  -3.107   5.538  -6.239
  493   HD23  LEU  89          HD23      LEU  89  -4.351   6.695  -5.778
  494    H    LEU  90           H        LEU  90  -5.172   9.983  -4.021
  495    HA   LEU  90           HA       LEU  90  -5.220  12.800  -3.957
  496    HB2  LEU  90           HB2      LEU  90  -5.149  10.610  -1.902
  497    HB3  LEU  90           HB3      LEU  90  -4.826  12.237  -1.338
  498    HG   LEU  90           HG       LEU  90  -7.299  11.583  -2.987
  499   HD11  LEU  90          HD11      LEU  90  -7.369  10.260  -0.925
  500   HD12  LEU  90          HD12      LEU  90  -8.519  11.597  -0.825
  501   HD13  LEU  90          HD13      LEU  90  -6.968  11.702   0.040
  502   HD21  LEU  90          HD21      LEU  90  -6.676  13.994  -2.896
  503   HD22  LEU  90          HD22      LEU  90  -6.631  13.907  -1.123
  504   HD23  LEU  90          HD23      LEU  90  -8.157  13.669  -1.999
  505    H    GLY  91           H        GLY  91  -2.417  10.709  -3.379
  506    HA2  GLY  91           HA2      GLY  91  -0.578  12.881  -3.908
  507    HA3  GLY  91           HA3      GLY  91  -0.632  12.445  -2.204
  508    H    LYS  92           H        LYS  92   1.740  12.120  -2.974
  509    HA   LYS  92           HA       LYS  92   2.440   9.666  -4.321
  510    HB2  LYS  92           HB2      LYS  92   3.904  11.753  -2.705
  511    HB3  LYS  92           HB3      LYS  92   4.625  10.193  -2.884
  512    HG2  LYS  92           HG2      LYS  92   5.586  11.375  -4.611
  513    HG3  LYS  92           HG3      LYS  92   4.398  10.321  -5.364
  514    HD2  LYS  92           HD2      LYS  92   4.218  12.416  -6.447
  515    HD3  LYS  92           HD3      LYS  92   2.808  12.299  -5.379
  516    HE2  LYS  92           HE2      LYS  92   4.112  13.635  -3.661
  517    HE3  LYS  92           HE3      LYS  92   5.382  13.859  -4.876
  518    HZ1  LYS  92           HZ1      LYS  92   3.743  14.970  -6.281
  519    HZ2  LYS  92           HZ2      LYS  92   3.778  15.705  -4.790
  520    HZ3  LYS  92           HZ3      LYS  92   2.553  14.683  -5.211
  521    H    MET  93           H        MET  93   3.336   7.814  -3.551
  522    HA   MET  93           HA       MET  93   1.695   6.457  -1.644
  523    HB2  MET  93           HB2      MET  93   2.530   5.666  -3.886
  524    HB3  MET  93           HB3      MET  93   4.130   5.468  -3.177
  525    HG2  MET  93           HG2      MET  93   3.053   3.814  -1.537
  526    HG3  MET  93           HG3      MET  93   1.563   4.017  -2.452
  527    HE1  MET  93           HE1      MET  93   5.466   3.335  -3.170
  528    HE2  MET  93           HE2      MET  93   5.313   1.632  -3.656
  529    HE3  MET  93           HE3      MET  93   4.823   2.130  -2.028
  530    H    TYR  94           H        TYR  94   2.650   7.980   0.215
  531    HA   TYR  94           HA       TYR  94   5.158   7.571   1.299
  532    HB2  TYR  94           HB2      TYR  94   3.751   9.348   2.063
  533    HB3  TYR  94           HB3      TYR  94   2.538   8.244   2.635
  534    HD1  TYR  94           HD1      TYR  94   6.257   8.708   3.167
  535    HD2  TYR  94           HD2      TYR  94   2.393   8.060   4.975
  536    HE1  TYR  94           HE1      TYR  94   7.312   8.677   5.416
  537    HE2  TYR  94           HE2      TYR  94   3.453   8.062   7.224
  538    HH   TYR  94           HH       TYR  94   6.995   8.416   7.659
  539    H    LYS  95           H        LYS  95   2.325   5.465   1.972
  540    HA   LYS  95           HA       LYS  95   4.206   3.365   2.911
  541    HB2  LYS  95           HB2      LYS  95   2.448   4.878   4.695
  542    HB3  LYS  95           HB3      LYS  95   1.878   3.238   4.578
  543    HG2  LYS  95           HG2      LYS  95   3.255   2.862   6.274
  544    HG3  LYS  95           HG3      LYS  95   4.484   2.663   5.028
  545    HD2  LYS  95           HD2      LYS  95   5.248   4.987   5.396
  546    HD3  LYS  95           HD3      LYS  95   3.884   5.271   6.505
  547    HE2  LYS  95           HE2      LYS  95   4.736   3.420   7.966
  548    HE3  LYS  95           HE3      LYS  95   6.168   3.304   6.930
  549    HZ1  LYS  95           HZ1      LYS  95   5.357   5.700   8.488
  550    HZ2  LYS  95           HZ2      LYS  95   6.747   5.567   7.570
  551    HZ3  LYS  95           HZ3      LYS  95   6.538   4.648   8.899
  552    H    THR  96           H        THR  96   3.359   1.222   2.832
  553    HA   THR  96           HA       THR  96   0.535   0.802   2.003
  554    HB   THR  96           HB       THR  96   2.820  -0.724   0.685
  555    HG1  THR  96           HG1      THR  96   2.131   1.578   0.212
  556   HG21  THR  96          HG21      THR  96   1.114  -1.577  -0.833
  557   HG22  THR  96          HG22      THR  96  -0.158  -0.684   0.019
  558   HG23  THR  96          HG23      THR  96   0.668  -2.037   0.802
  559    H    TYR  97           H        TYR  97  -0.319  -1.119   2.792
  560    HA   TYR  97           HA       TYR  97   1.392  -2.892   4.501
  561    HB2  TYR  97           HB2      TYR  97  -1.310  -1.698   5.196
  562    HB3  TYR  97           HB3      TYR  97  -0.547  -2.990   6.082
  563    HD1  TYR  97           HD1      TYR  97   1.541  -2.579   7.365
  564    HD2  TYR  97           HD2      TYR  97  -0.652   0.626   5.505
  565    HE1  TYR  97           HE1      TYR  97   2.646  -0.963   8.872
  566    HE2  TYR  97           HE2      TYR  97   0.468   2.251   7.041
  567    HH   TYR  97           HH       TYR  97   2.648   1.169   9.648
  568    H    PHE  98           H        PHE  98   0.761  -5.046   4.600
  569    HA   PHE  98           HA       PHE  98  -1.268  -6.038   2.629
  570    HB2  PHE  98           HB2      PHE  98   1.631  -6.839   3.072
  571    HB3  PHE  98           HB3      PHE  98   0.513  -7.718   2.062
  572    HD1  PHE  98           HD1      PHE  98   2.334  -4.438   2.355
  573    HD2  PHE  98           HD2      PHE  98   0.163  -7.161  -0.162
  574    HE1  PHE  98           HE1      PHE  98   3.002  -3.128   0.343
  575    HE2  PHE  98           HE2      PHE  98   0.849  -5.853  -2.172
  576    HZ   PHE  98           HZ       PHE  98   2.300  -3.873  -1.915
  577    H    PHE  99           H        PHE  99  -2.236  -7.994   3.061
  578    HA   PHE  99           HA       PHE  99  -1.933  -9.108   5.828
  579    HB2  PHE  99           HB2      PHE  99  -4.526  -8.649   4.309
  580    HB3  PHE  99           HB3      PHE  99  -4.338  -9.069   6.004
  581    HD1  PHE  99           HD1      PHE  99  -4.135  -6.379   3.487
  582    HD2  PHE  99           HD2      PHE  99  -3.782  -7.316   7.663
  583    HE1  PHE  99           HE1      PHE  99  -3.919  -3.988   3.987
  584    HE2  PHE  99           HE2      PHE  99  -3.599  -4.903   8.174
  585    HZ   PHE  99           HZ       PHE  99  -3.566  -3.235   6.353
  586    H    LYS 100           H        LYS 100  -2.278 -11.339   6.107
  587    HA   LYS 100           HA       LYS 100  -2.343 -12.965   3.628
  588    HB2  LYS 100           HB2      LYS 100  -1.906 -13.871   6.487
  589    HB3  LYS 100           HB3      LYS 100  -1.881 -14.879   5.033
  590    HG2  LYS 100           HG2      LYS 100   0.276 -14.653   5.170
  591    HG3  LYS 100           HG3      LYS 100  -0.028 -13.214   4.201
  592    HD2  LYS 100           HD2      LYS 100   0.392 -11.761   6.002
  593    HD3  LYS 100           HD3      LYS 100   0.138 -13.009   7.225
  594    HE2  LYS 100           HE2      LYS 100   2.417 -13.164   5.207
  595    HE3  LYS 100           HE3      LYS 100   2.587 -12.306   6.744
  596    HZ1  LYS 100           HZ1      LYS 100   3.382 -14.586   6.892
  597    HZ2  LYS 100           HZ2      LYS 100   1.913 -15.183   6.514
  598    HZ3  LYS 100           HZ3      LYS 100   2.114 -14.351   7.923
  599    H    LYS 101           H        LYS 101  -3.572 -14.847   3.398
  600    HA   LYS 101           HA       LYS 101  -6.361 -14.578   3.358
  601    HB2  LYS 101           HB2      LYS 101  -4.507 -16.954   3.124
  602    HB3  LYS 101           HB3      LYS 101  -6.260 -17.123   2.960
  603    HG2  LYS 101           HG2      LYS 101  -6.359 -15.673   1.067
  604    HG3  LYS 101           HG3      LYS 101  -4.679 -15.151   1.261
  605    HD2  LYS 101           HD2      LYS 101  -3.805 -17.267   0.640
  606    HD3  LYS 101           HD3      LYS 101  -5.371 -18.072   0.773
  607    HE2  LYS 101           HE2      LYS 101  -4.925 -15.825  -1.210
  608    HE3  LYS 101           HE3      LYS 101  -4.415 -17.476  -1.583
  609    HZ1  LYS 101           HZ1      LYS 101  -6.700 -18.217  -1.225
  610    HZ2  LYS 101           HZ2      LYS 101  -7.210 -16.725  -0.870
  611    HZ3  LYS 101           HZ3      LYS 101  -6.696 -17.041  -2.389
  612    H    GLY 102           H        GLY 102  -7.284 -13.955   5.235
  613    HA2  GLY 102           HA2      GLY 102  -8.839 -14.925   6.875
  614    HA3  GLY 102           HA3      GLY 102  -7.572 -16.011   7.411
  615    H    GLU 103           H        GLU 103  -5.948 -13.169   7.000
  616    HA   GLU 103           HA       GLU 103  -6.169 -12.428   9.892
  617    HB2  GLU 103           HB2      GLU 103  -3.941 -12.308   7.828
  618    HB3  GLU 103           HB3      GLU 103  -3.887 -11.395   9.325
  619    HG2  GLU 103           HG2      GLU 103  -2.647 -13.415   9.641
  620    HG3  GLU 103           HG3      GLU 103  -4.079 -13.444  10.658
  621    H    SER 104           H        SER 104  -5.787 -10.141  10.430
  622    HA   SER 104           HA       SER 104  -6.823  -8.139   8.464
  623    HB2  SER 104           HB2      SER 104  -8.412  -7.353  10.236
  624    HB3  SER 104           HB3      SER 104  -8.872  -8.797   9.446
  625    HG   SER 104           HG       SER 104  -8.283 -10.033  11.166
  626    H    LYS 105           H        LYS 105  -4.305  -8.725  10.301
  627    HA   LYS 105           HA       LYS 105  -3.744  -5.805  10.451
  628    HB2  LYS 105           HB2      LYS 105  -4.159  -6.587  12.737
  629    HB3  LYS 105           HB3      LYS 105  -2.954  -7.875  12.532
  630    HG2  LYS 105           HG2      LYS 105  -1.165  -6.321  12.503
  631    HG3  LYS 105           HG3      LYS 105  -2.217  -4.934  12.296
  632    HD2  LYS 105           HD2      LYS 105  -1.455  -5.031  14.618
  633    HD3  LYS 105           HD3      LYS 105  -3.195  -5.316  14.549
  634    HE2  LYS 105           HE2      LYS 105  -2.866  -7.710  14.703
  635    HE3  LYS 105           HE3      LYS 105  -1.099  -7.487  14.719
  636    HZ1  LYS 105           HZ1      LYS 105  -2.124  -7.792  16.955
  637    HZ2  LYS 105           HZ2      LYS 105  -2.950  -6.387  16.772
  638    HZ3  LYS 105           HZ3      LYS 105  -1.287  -6.379  16.822
  639    H    SER 106           H        SER 106  -1.678  -5.289   9.700
  640    HA   SER 106           HA       SER 106  -0.931  -7.074   7.607
  641    HB2  SER 106           HB2      SER 106   0.698  -5.514   6.895
  642    HB3  SER 106           HB3      SER 106  -0.661  -4.591   7.543
  643    HG   SER 106           HG       SER 106   1.920  -5.037   8.771
  644    H    SER 107           H        SER 107   1.081  -7.943   7.078
  645    HA   SER 107           HA       SER 107   3.069  -8.307   9.282
  646    HB2  SER 107           HB2      SER 107   1.669 -10.374   8.974
  647    HB3  SER 107           HB3      SER 107   2.222 -10.448   7.295
  648    HG   SER 107           HG       SER 107   3.847 -10.532   9.632
  649    H    TYR 108           H        TYR 108   2.445  -7.213   6.165
  650    HA   TYR 108           HA       TYR 108   5.316  -6.865   5.645
  651    HB2  TYR 108           HB2      TYR 108   4.788  -8.829   4.351
  652    HB3  TYR 108           HB3      TYR 108   3.359  -8.082   3.680
  653    HD1  TYR 108           HD1      TYR 108   7.071  -7.564   3.871
  654    HD2  TYR 108           HD2      TYR 108   3.513  -7.235   1.493
  655    HE1  TYR 108           HE1      TYR 108   8.465  -6.925   1.877
  656    HE2  TYR 108           HE2      TYR 108   4.879  -6.607  -0.475
  657    HH   TYR 108           HH       TYR 108   7.045  -6.450  -1.350
  658    H    VAL 109           H        VAL 109   5.784  -4.944   4.898
  659    HA   VAL 109           HA       VAL 109   3.762  -3.011   3.978
  660    HB   VAL 109           HB       VAL 109   3.419  -2.631   6.103
  661   HG11  VAL 109          HG11      VAL 109   4.594  -4.171   7.295
  662   HG12  VAL 109          HG12      VAL 109   5.146  -2.654   7.998
  663   HG13  VAL 109          HG13      VAL 109   6.149  -3.501   6.789
  664   HG21  VAL 109          HG21      VAL 109   4.475  -0.740   7.176
  665   HG22  VAL 109          HG22      VAL 109   4.088  -0.418   5.495
  666   HG23  VAL 109          HG23      VAL 109   5.755  -0.777   5.974
  667    H    ILE 110           H        ILE 110   4.631  -1.026   3.237
  668    HA   ILE 110           HA       ILE 110   7.506  -1.187   2.405
  669    HB   ILE 110           HB       ILE 110   5.136  -0.815   0.584
  670   HG12  ILE 110          HG12      ILE 110   6.617  -3.354   1.263
  671   HG13  ILE 110          HG13      ILE 110   4.907  -3.071   1.217
  672   HG21  ILE 110          HG21      ILE 110   8.054  -1.397  -0.148
  673   HG22  ILE 110          HG22      ILE 110   7.319   0.225  -0.177
  674   HG23  ILE 110          HG23      ILE 110   6.725  -1.019  -1.259
  675   HD11  ILE 110          HD11      ILE 110   5.389  -4.432  -0.627
  676   HD12  ILE 110          HD12      ILE 110   6.796  -3.475  -1.088
  677   HD13  ILE 110          HD13      ILE 110   5.137  -2.826  -1.324
  678    H    ASN 111           H        ASN 111   8.484   0.741   2.318
  679    HA   ASN 111           HA       ASN 111   6.901   3.229   2.820
  680    HB2  ASN 111           HB2      ASN 111   9.845   2.479   3.119
  681    HB3  ASN 111           HB3      ASN 111   9.276   4.143   3.186
  682   HD21  ASN 111          HD21      ASN 111   9.885   1.448   5.130
  683   HD22  ASN 111          HD22      ASN 111   8.883   1.960   6.491
  684    H    GLY 112           H        GLY 112   6.872   4.923   1.414
  685    HA2  GLY 112           HA2      GLY 112   8.549   4.847  -1.054
  686    HA3  GLY 112           HA3      GLY 112   6.791   4.849  -1.192
  687    HA   PRO 113           HA       PRO 113   8.492   9.187  -1.180
  688    HB2  PRO 113           HB2      PRO 113   7.209  10.102  -3.405
  689    HB3  PRO 113           HB3      PRO 113   8.727   9.159  -3.484
  690    HG2  PRO 113           HG2      PRO 113   5.889   8.154  -3.825
  691    HG3  PRO 113           HG3      PRO 113   7.318   7.807  -4.852
  692    HD2  PRO 113           HD2      PRO 113   6.455   6.104  -2.919
  693    HD3  PRO 113           HD3      PRO 113   8.187   6.292  -3.318
  694    H    GLY 114           H        GLY 114   7.442  10.830  -0.240
  695    HA2  GLY 114           HA2      GLY 114   5.170  12.129  -0.546
  696    HA3  GLY 114           HA3      GLY 114   4.515  10.742   0.325
  697    H    LYS 115           H        LYS 115   7.114  10.599   1.877
  698    HA   LYS 115           HA       LYS 115   7.905  11.063   3.918
  699    HB2  LYS 115           HB2      LYS 115   8.721  12.912   2.506
  700    HB3  LYS 115           HB3      LYS 115   7.399  13.930   3.085
  701    HG2  LYS 115           HG2      LYS 115   8.317  13.952   5.326
  702    HG3  LYS 115           HG3      LYS 115   9.478  12.673   4.926
  703    HD2  LYS 115           HD2      LYS 115  10.536  14.903   5.012
  704    HD3  LYS 115           HD3      LYS 115  10.681  14.160   3.411
  705    HE2  LYS 115           HE2      LYS 115   8.813  15.537   2.566
  706    HE3  LYS 115           HE3      LYS 115   8.574  16.226   4.182
  707    HZ1  LYS 115           HZ1      LYS 115  10.984  16.562   2.486
  708    HZ2  LYS 115           HZ2      LYS 115  10.832  17.144   4.021
  709    HZ3  LYS 115           HZ3      LYS 115   9.849  17.708   2.811
  710    H    THR 116           H        THR 116   4.615  12.110   3.547
  711    HA   THR 116           HA       THR 116   3.952  11.476   6.281
  712    HB   THR 116           HB       THR 116   4.937  13.661   6.744
  713    HG1  THR 116           HG1      THR 116   3.365  14.217   7.941
  714   HG21  THR 116          HG21      THR 116   2.959  14.869   4.760
  715   HG22  THR 116          HG22      THR 116   4.715  14.764   4.517
  716   HG23  THR 116          HG23      THR 116   4.068  15.738   5.842
  717    H    ASN 117           H        ASN 117   1.600  11.603   6.625
  718    HA   ASN 117           HA       ASN 117  -0.013  11.642   4.160
  719    HB2  ASN 117           HB2      ASN 117  -0.779  11.260   7.088
  720    HB3  ASN 117           HB3      ASN 117  -1.826  11.034   5.696
  721   HD21  ASN 117          HD21      ASN 117  -0.417   9.523   3.922
  722   HD22  ASN 117          HD22      ASN 117   0.133   8.041   4.704
  723    H    GLU 118           H        GLU 118   1.023  13.911   6.578
  724    HA   GLU 118           HA       GLU 118  -1.307  15.556   6.720
  725    HB2  GLU 118           HB2      GLU 118   1.555  16.191   7.524
  726    HB3  GLU 118           HB3      GLU 118   0.112  17.121   7.939
  727    HG2  GLU 118           HG2      GLU 118  -0.803  15.012   9.052
  728    HG3  GLU 118           HG3      GLU 118   0.801  14.316   8.871
  729    H    TYR 119           H        TYR 119  -1.541  15.659   4.293
  730    HA   TYR 119           HA       TYR 119  -1.867  17.002   2.528
  731    HB2  TYR 119           HB2      TYR 119  -1.954  18.963   4.835
  732    HB3  TYR 119           HB3      TYR 119  -2.653  19.276   3.260
  733    HD1  TYR 119           HD1      TYR 119  -4.315  17.459   2.305
  734    HD2  TYR 119           HD2      TYR 119  -3.406  18.046   6.488
  735    HE1  TYR 119           HE1      TYR 119  -6.425  16.283   2.939
  736    HE2  TYR 119           HE2      TYR 119  -5.545  16.943   7.106
  737    HH   TYR 119           HH       TYR 119  -7.500  15.945   6.336
  738    H    ALA 120           H        ALA 120   0.878  16.652   2.696
  739    HA   ALA 120           HA       ALA 120   2.890  17.426   1.885
  740    HB1  ALA 120           HB1      ALA 120   1.575  16.518   0.015
  741    HB2  ALA 120           HB2      ALA 120   2.673  17.790  -0.536
  742    HB3  ALA 120           HB3      ALA 120   0.941  18.141  -0.339
  743    H    TYR 121           H        TYR 121   2.182  19.363   3.648
  744    HA   TYR 121           HA       TYR 121   3.319  21.898   2.613
  745    HB2  TYR 121           HB2      TYR 121   0.937  22.153   2.272
  746    HB3  TYR 121           HB3      TYR 121   0.572  21.503   3.860
  747    HD1  TYR 121           HD1      TYR 121   0.807  22.842   5.891
  748    HD2  TYR 121           HD2      TYR 121   1.645  24.497   1.995
  749    HE1  TYR 121           HE1      TYR 121   0.583  25.132   6.823
  750    HE2  TYR 121           HE2      TYR 121   1.400  26.801   2.933
  751    HH   TYR 121           HH       TYR 121   0.599  27.359   6.384
  752    H1   ACE   6           H1       ACE   6  22.495   2.059  -2.624
  753    H2   ACE   6           H2       ACE   6  21.782   0.471  -2.271
  754    H3   ACE   6           H3       ACE   6  20.787   1.941  -2.143
  755    H    THR   7           H        THR   7  22.711   0.052  -4.471
  756    HA   THR   7           HA       THR   7  21.458   1.286  -6.752
  757    HB   THR   7           HB       THR   7  23.819   0.519  -6.611
  758    HG1  THR   7           HG1      THR   7  23.957   0.308  -8.651
  759   HG21  THR   7          HG21      THR   7  22.692  -2.248  -7.193
  760   HG22  THR   7          HG22      THR   7  24.402  -1.763  -7.223
  761   HG23  THR   7          HG23      THR   7  23.506  -1.745  -5.700
  762    H    THR   8           H        THR   8  19.700  -0.291  -4.897
  763    HA   THR   8           HA       THR   8  18.029  -1.456  -7.057
  764    HB   THR   8           HB       THR   8  18.352  -2.848  -4.379
  765    HG1  THR   8           HG1      THR   8  20.173  -3.299  -5.417
  766   HG21  THR   8          HG21      THR   8  17.160  -4.700  -5.494
  767   HG22  THR   8          HG22      THR   8  16.155  -3.254  -5.422
  768   HG23  THR   8          HG23      THR   8  16.955  -3.701  -6.949
  769    HA   PRO   9           HA       PRO   9  15.046   1.167  -4.844
  770    HB2  PRO   9           HB2      PRO   9  12.976  -0.704  -5.918
  771    HB3  PRO   9           HB3      PRO   9  13.053   1.077  -6.022
  772    HG2  PRO   9           HG2      PRO   9  13.613  -0.484  -8.178
  773    HG3  PRO   9           HG3      PRO   9  14.548   1.009  -7.840
  774    HD2  PRO   9           HD2      PRO   9  15.302  -1.855  -7.243
  775    HD3  PRO   9           HD3      PRO   9  16.305  -0.540  -7.921
  776    H    ASP  10           H        ASP  10  13.440   0.953  -3.099
  777    HA   ASP  10           HA       ASP  10  13.905  -1.169  -1.182
  778    HB2  ASP  10           HB2      ASP  10  13.090   1.270  -0.837
  779    HB3  ASP  10           HB3      ASP  10  11.495   0.682  -1.306
  780    H2   TYS  11           H2       TYS  11  12.782  -3.103  -0.928
  781    HA   TYS  11           HA       TYS  11  10.306  -3.575  -2.401
  782    HB2  TYS  11           HB2      TYS  11  12.780  -5.268  -2.895
  783    HB3  TYS  11           HB3      TYS  11  11.155  -5.949  -2.965
  784    HD1  TYS  11           HD1      TYS  11   9.344  -4.629  -4.115
  785    HD2  TYS  11           HD2      TYS  11  13.510  -4.159  -4.987
  786    HE1  TYS  11           HE1      TYS  11   8.735  -3.324  -5.995
  787    HE2  TYS  11           HE2      TYS  11  12.901  -2.958  -7.056
  788    H    GLY  12           H        GLY  12  10.148  -2.806  -0.451
  789    HA2  GLY  12           HA2      GLY  12   8.752  -2.937   1.294
  790    HA3  GLY  12           HA3      GLY  12   8.403  -4.584   0.784
  791    H    HIS  13           H        HIS  13   8.184  -4.252   3.484
  792    HA   HIS  13           HA       HIS  13  10.360  -6.023   4.349
  793    HB2  HIS  13           HB2      HIS  13  10.652  -4.891   6.466
  794    HB3  HIS  13           HB3      HIS  13  11.265  -3.910   5.132
  795    HD1  HIS  13           HD1      HIS  13   9.635  -1.787   4.368
  796    HD2  HIS  13           HD2      HIS  13   8.496  -3.852   7.867
  797    HE1  HIS  13           HE1      HIS  13   7.773  -0.437   5.463
  798    HE2  HIS  13           HE2      HIS  13   7.383  -1.464   7.813
  799    H2   TYS  14           H2       TYS  14   9.804  -7.453   5.869
  800    HA   TYS  14           HA       TYS  14   6.959  -7.540   6.653
  801    HB2  TYS  14           HB2      TYS  14   9.262  -9.473   6.947
  802    HB3  TYS  14           HB3      TYS  14   7.779  -9.671   7.845
  803    HD1  TYS  14           HD1      TYS  14   8.958  -9.348   4.177
  804    HD2  TYS  14           HD2      TYS  14   5.908 -10.757   6.951
  805    HE1  TYS  14           HE1      TYS  14   8.012 -10.694   2.480
  806    HE2  TYS  14           HE2      TYS  14   4.974 -12.113   5.147
  807    H    ASP  15           H        ASP  15   6.097  -7.199   8.519
  808    HA   ASP  15           HA       ASP  15   7.816  -5.905  10.606
  809    HB2  ASP  15           HB2      ASP  15   6.498  -4.131  10.681
  810    HB3  ASP  15           HB3      ASP  15   6.158  -4.537   9.030
  811    H    ASP  16           H        ASP  16   7.149  -6.003  12.759
  812    HA   ASP  16           HA       ASP  16   4.676  -7.469  13.481
  813    HB2  ASP  16           HB2      ASP  16   7.413  -8.013  14.677
  814    HB3  ASP  16           HB3      ASP  16   5.895  -8.586  15.368
  815    H    LYS  17           H        LYS  17   5.171  -4.693  13.322
  816    HA   LYS  17           HA       LYS  17   4.814  -3.633  16.033
  817    HB2  LYS  17           HB2      LYS  17   6.895  -2.380  16.225
  818    HB3  LYS  17           HB3      LYS  17   7.254  -4.098  16.095
  819    HG2  LYS  17           HG2      LYS  17   7.753  -3.751  13.635
  820    HG3  LYS  17           HG3      LYS  17   7.511  -2.013  13.875
  821    HD2  LYS  17           HD2      LYS  17   9.363  -1.933  15.477
  822    HD3  LYS  17           HD3      LYS  17   9.608  -3.691  15.291
  823    HE2  LYS  17           HE2      LYS  17   9.996  -3.363  12.852
  824    HE3  LYS  17           HE3      LYS  17   9.780  -1.617  13.049
  825    HZ1  LYS  17           HZ1      LYS  17  12.112  -2.274  13.025
  826    HZ2  LYS  17           HZ2      LYS  17  11.735  -1.560  14.437
  827    HZ3  LYS  17           HZ3      LYS  17  11.911  -3.209  14.373
  828    H    ASP  18           H        ASP  18   5.208  -3.129  12.649
  829    HA   ASP  18           HA       ASP  18   5.004  -0.188  12.708
  830    HB2  ASP  18           HB2      ASP  18   6.659  -1.805  11.439
  831    HB3  ASP  18           HB3      ASP  18   5.305  -2.093  10.353
  832    H    THR  19           H        THR  19   3.127  -2.928  12.167
  833    HA   THR  19           HA       THR  19   1.590  -2.683  10.082
  834    HB   THR  19           HB       THR  19   1.682  -4.654  11.453
  835    HG1  THR  19           HG1      THR  19   0.161  -4.590  10.147
  836   HG21  THR  19          HG21      THR  19  -0.073  -3.361  13.519
  837   HG22  THR  19          HG22      THR  19   1.677  -3.663  13.709
  838   HG23  THR  19          HG23      THR  19   0.600  -5.024  13.477
  839    H    LEU  20           H        LEU  20  -0.545  -2.434   9.505
  840    HA   LEU  20           HA       LEU  20  -2.171  -0.410  10.927
  841    HB2  LEU  20           HB2      LEU  20  -1.650   0.179   8.541
  842    HB3  LEU  20           HB3      LEU  20  -2.275  -1.410   8.048
  843    HG   LEU  20           HG       LEU  20  -4.498  -0.747   9.016
  844   HD11  LEU  20          HD11      LEU  20  -4.895   1.715   9.266
  845   HD12  LEU  20          HD12      LEU  20  -3.143   1.986   9.209
  846   HD13  LEU  20          HD13      LEU  20  -3.866   1.062  10.548
  847   HD21  LEU  20          HD21      LEU  20  -3.886  -0.656   6.684
  848   HD22  LEU  20          HD22      LEU  20  -3.344   1.029   6.830
  849   HD23  LEU  20          HD23      LEU  20  -5.062   0.595   7.069
  850    H    ASP  21           H        ASP  21  -3.864  -1.233  11.889
  851    HA   ASP  21           HA       ASP  21  -4.613  -4.067  11.652
  852    HB2  ASP  21           HB2      ASP  21  -5.402  -3.723  13.946
  853    HB3  ASP  21           HB3      ASP  21  -3.691  -3.374  13.729
  854    H    LEU  22           H        LEU  22  -6.078  -4.214  10.116
  855    HA   LEU  22           HA       LEU  22  -8.366  -2.406   9.745
  856    HB2  LEU  22           HB2      LEU  22  -7.266  -4.917   8.462
  857    HB3  LEU  22           HB3      LEU  22  -8.963  -4.501   8.205
  858    HG   LEU  22           HG       LEU  22  -8.312  -2.400   7.144
  859   HD11  LEU  22          HD11      LEU  22  -6.324  -1.768   8.322
  860   HD12  LEU  22          HD12      LEU  22  -5.876  -2.045   6.628
  861   HD13  LEU  22          HD13      LEU  22  -5.493  -3.273   7.863
  862   HD21  LEU  22          HD21      LEU  22  -7.150  -3.367   5.195
  863   HD22  LEU  22          HD22      LEU  22  -8.360  -4.505   5.838
  864   HD23  LEU  22          HD23      LEU  22  -6.629  -4.758   6.182
  865    H    ASN  23           H        ASN  23  -7.696  -5.454  11.295
  866    HA   ASN  23           HA       ASN  23  -9.244  -7.086  12.168
  867    HB2  ASN  23           HB2      ASN  23  -8.786  -4.808  13.983
  868    HB3  ASN  23           HB3      ASN  23  -9.374  -6.385  14.542
  869   HD21  ASN  23          HD21      ASN  23  -7.490  -7.953  12.739
  870   HD22  ASN  23          HD22      ASN  23  -6.005  -7.812  13.658
  871    H    THR  24           H        THR  24 -11.051  -7.385  11.186
  872    HA   THR  24           HA       THR  24 -13.489  -5.888  11.927
  873    HB   THR  24           HB       THR  24 -12.368  -4.720  10.167
  874    HG1  THR  24           HG1      THR  24 -14.491  -4.646   9.943
  875   HG21  THR  24          HG21      THR  24 -10.966  -6.424   9.188
  876   HG22  THR  24          HG22      THR  24 -11.962  -5.689   7.945
  877   HG23  THR  24          HG23      THR  24 -12.396  -7.298   8.569
  878    HA   PRO  25           HA       PRO  25 -14.683 -10.130   9.940
  879    HB2  PRO  25           HB2      PRO  25 -13.877 -12.301  11.381
  880    HB3  PRO  25           HB3      PRO  25 -12.922 -11.616  10.032
  881    HG2  PRO  25           HG2      PRO  25 -12.575 -11.121  12.998
  882    HG3  PRO  25           HG3      PRO  25 -11.316 -11.523  11.786
  883    HD2  PRO  25           HD2      PRO  25 -11.816  -8.989  12.594
  884    HD3  PRO  25           HD3      PRO  25 -11.339  -9.336  10.901
  885    H    VAL  26           H        VAL  26 -16.584 -11.164  10.581
  886    HA   VAL  26           HA       VAL  26 -17.569 -10.883  13.347
  887    HB   VAL  26           HB       VAL  26 -17.775  -8.634  12.134
  888   HG11  VAL  26          HG11      VAL  26 -18.558  -9.392   9.936
  889   HG12  VAL  26          HG12      VAL  26 -19.726  -8.299  10.688
  890   HG13  VAL  26          HG13      VAL  26 -20.053 -10.033  10.660
  891   HG21  VAL  26          HG21      VAL  26 -20.401  -9.738  13.140
  892   HG22  VAL  26          HG22      VAL  26 -19.840  -8.065  13.134
  893   HG23  VAL  26          HG23      VAL  26 -19.040  -9.247  14.183
  894    H    ASP  27           H        ASP  27 -19.780 -11.815  13.619
  895    HA   ASP  27           HA       ASP  27 -20.372 -13.940  11.569
  896    HB2  ASP  27           HB2      ASP  27 -20.755 -13.869  14.587
  897    HB3  ASP  27           HB3      ASP  27 -21.487 -15.076  13.533
  898    H    LYS  28           H        LYS  28 -21.772 -11.309  13.490
  899    HA   LYS  28           HA       LYS  28 -23.827 -10.983  11.414
  900    HB2  LYS  28           HB2      LYS  28 -24.888 -12.522  13.087
  901    HB3  LYS  28           HB3      LYS  28 -24.666 -11.287  14.325
  902    HG2  LYS  28           HG2      LYS  28 -26.108  -9.736  12.979
  903    HG3  LYS  28           HG3      LYS  28 -26.339 -11.019  11.781
  904    HD2  LYS  28           HD2      LYS  28 -27.355 -12.476  13.502
  905    HD3  LYS  28           HD3      LYS  28 -27.086 -11.244  14.735
  906    HE2  LYS  28           HE2      LYS  28 -28.965 -11.015  12.336
  907    HE3  LYS  28           HE3      LYS  28 -29.421 -11.299  14.021
  908    HZ1  LYS  28           HZ1      LYS  28 -29.692  -9.005  13.747
  909    HZ2  LYS  28           HZ2      LYS  28 -28.216  -9.099  14.465
  910    HZ3  LYS  28           HZ3      LYS  28 -28.347  -8.820  12.851
  911    HN1  NH2  29           HN1      NH2  29 -23.115  -8.987  10.798
  912    HN2  NH2  29           HN2      NH2  29 -22.826  -7.664  11.907
  Start of MODEL    5
    1    H1   ASN  31           H1       ASN  31  -3.635  16.425 -23.214
    2    H2   ASN  31           H2       ASN  31  -4.841  17.506 -23.442
    3    H3   ASN  31           H3       ASN  31  -3.330  17.876 -23.939
    4    HA   ASN  31           HA       ASN  31  -2.522  17.906 -21.673
    5    HB2  ASN  31           HB2      ASN  31  -4.851  19.686 -22.435
    6    HB3  ASN  31           HB3      ASN  31  -4.143  19.799 -20.833
    7   HD21  ASN  31          HD21      ASN  31  -3.453  22.027 -21.395
    8   HD22  ASN  31          HD22      ASN  31  -1.980  22.207 -22.339
    9    H    SER  32           H        SER  32  -2.600  16.648 -19.995
   10    HA   SER  32           HA       SER  32  -5.003  16.480 -18.367
   11    HB2  SER  32           HB2      SER  32  -5.455  14.635 -19.931
   12    HB3  SER  32           HB3      SER  32  -3.911  13.879 -19.508
   13    HG   SER  32           HG       SER  32  -5.686  13.042 -18.349
   14    H    GLY  33           H        GLY  33  -2.071  14.319 -18.545
   15    HA2  GLY  33           HA2      GLY  33  -0.249  15.535 -17.000
   16    HA3  GLY  33           HA3      GLY  33  -1.403  15.059 -15.758
   17    H    LEU  34           H        LEU  34   0.901  14.131 -15.267
   18    HA   LEU  34           HA       LEU  34   1.420  11.415 -16.286
   19    HB2  LEU  34           HB2      LEU  34   2.562  12.963 -13.919
   20    HB3  LEU  34           HB3      LEU  34   3.196  11.458 -14.562
   21    HG   LEU  34           HG       LEU  34   3.198  14.146 -15.988
   22   HD11  LEU  34          HD11      LEU  34   4.820  13.924 -14.128
   23   HD12  LEU  34          HD12      LEU  34   5.622  14.008 -15.703
   24   HD13  LEU  34          HD13      LEU  34   5.468  12.445 -14.877
   25   HD21  LEU  34          HD21      LEU  34   4.620  13.010 -17.682
   26   HD22  LEU  34          HD22      LEU  34   2.978  12.361 -17.666
   27   HD23  LEU  34          HD23      LEU  34   4.299  11.451 -16.896
   28    HA   PRO  35           HA       PRO  35  -1.332   9.322 -13.711
   29    HB2  PRO  35           HB2      PRO  35   0.080   7.073 -12.778
   30    HB3  PRO  35           HB3      PRO  35  -0.730   7.219 -14.347
   31    HG2  PRO  35           HG2      PRO  35   2.166   7.599 -13.638
   32    HG3  PRO  35           HG3      PRO  35   1.479   6.900 -15.135
   33    HD2  PRO  35           HD2      PRO  35   2.496   9.437 -15.015
   34    HD3  PRO  35           HD3      PRO  35   1.101   9.056 -16.057
   35    H    THR  36           H        THR  36  -2.153   9.238 -11.778
   36    HA   THR  36           HA       THR  36  -0.574   8.573  -9.427
   37    HB   THR  36           HB       THR  36  -0.492  10.982  -9.276
   38    HG1  THR  36           HG1      THR  36  -1.692  11.060  -7.207
   39   HG21  THR  36          HG21      THR  36  -2.668  11.543 -10.438
   40   HG22  THR  36          HG22      THR  36  -3.499  11.122  -8.925
   41   HG23  THR  36          HG23      THR  36  -2.314  12.442  -8.963
   42    H    THR  37           H        THR  37  -1.779   6.741 -10.551
   43    HA   THR  37           HA       THR  37  -4.603   6.536  -9.577
   44    HB   THR  37           HB       THR  37  -5.239   5.414 -11.618
   45    HG1  THR  37           HG1      THR  37  -3.737   5.378 -13.379
   46   HG21  THR  37          HG21      THR  37  -5.315   7.926 -11.628
   47   HG22  THR  37          HG22      THR  37  -5.169   7.197 -13.232
   48   HG23  THR  37          HG23      THR  37  -3.747   7.930 -12.464
   49    H    LEU  38           H        LEU  38  -5.421   4.428  -9.170
   50    HA   LEU  38           HA       LEU  38  -3.458   2.462  -8.316
   51    HB2  LEU  38           HB2      LEU  38  -6.458   2.262  -8.665
   52    HB3  LEU  38           HB3      LEU  38  -5.456   0.910  -8.182
   53    HG   LEU  38           HG       LEU  38  -5.864   3.509  -6.653
   54   HD11  LEU  38          HD11      LEU  38  -6.980   2.065  -5.021
   55   HD12  LEU  38          HD12      LEU  38  -6.614   0.624  -5.999
   56   HD13  LEU  38          HD13      LEU  38  -7.741   1.850  -6.602
   57   HD21  LEU  38          HD21      LEU  38  -3.582   2.769  -6.186
   58   HD22  LEU  38          HD22      LEU  38  -4.139   1.097  -5.931
   59   HD23  LEU  38          HD23      LEU  38  -4.610   2.393  -4.810
   60    H    GLY  39           H        GLY  39  -5.249   2.896 -11.398
   61    HA2  GLY  39           HA2      GLY  39  -4.624   0.703 -12.846
   62    HA3  GLY  39           HA3      GLY  39  -4.434   2.337 -13.500
   63    H    LYS  40           H        LYS  40  -2.109   3.152 -12.001
   64    HA   LYS  40           HA       LYS  40   0.010   1.274 -12.951
   65    HB2  LYS  40           HB2      LYS  40   0.056   4.123 -11.898
   66    HB3  LYS  40           HB3      LYS  40   1.501   3.205 -12.318
   67    HG2  LYS  40           HG2      LYS  40  -0.752   3.896 -14.281
   68    HG3  LYS  40           HG3      LYS  40   0.735   4.777 -14.063
   69    HD2  LYS  40           HD2      LYS  40   1.425   3.497 -15.814
   70    HD3  LYS  40           HD3      LYS  40   1.850   2.367 -14.529
   71    HE2  LYS  40           HE2      LYS  40  -0.467   1.297 -14.879
   72    HE3  LYS  40           HE3      LYS  40  -0.672   2.379 -16.253
   73    HZ1  LYS  40           HZ1      LYS  40   1.463   1.356 -17.119
   74    HZ2  LYS  40           HZ2      LYS  40   0.136   0.390 -17.134
   75    HZ3  LYS  40           HZ3      LYS  40   1.261   0.174 -15.957
   76    H    LEU  41           H        LEU  41  -0.997   2.898  -9.895
   77    HA   LEU  41           HA       LEU  41   1.139   1.730  -8.448
   78    HB2  LEU  41           HB2      LEU  41   0.008   3.749  -7.713
   79    HB3  LEU  41           HB3      LEU  41  -1.479   2.849  -7.410
   80    HG   LEU  41           HG       LEU  41  -0.363   1.545  -5.637
   81   HD11  LEU  41          HD11      LEU  41   1.824   2.184  -4.783
   82   HD12  LEU  41          HD12      LEU  41   2.038   3.369  -6.094
   83   HD13  LEU  41          HD13      LEU  41   2.002   1.624  -6.438
   84   HD21  LEU  41          HD21      LEU  41  -0.068   3.317  -3.992
   85   HD22  LEU  41          HD22      LEU  41  -1.494   3.610  -5.019
   86   HD23  LEU  41          HD23      LEU  41   0.009   4.529  -5.293
   87    H    ASP  42           H        ASP  42  -2.203   0.414  -8.712
   88    HA   ASP  42           HA       ASP  42  -1.819  -1.764  -6.802
   89    HB2  ASP  42           HB2      ASP  42  -4.018  -0.765  -7.545
   90    HB3  ASP  42           HB3      ASP  42  -3.728  -1.356  -9.156
   91    H    GLU  43           H        GLU  43  -1.271  -1.394 -10.253
   92    HA   GLU  43           HA       GLU  43  -0.380  -4.092 -10.805
   93    HB2  GLU  43           HB2      GLU  43  -1.102  -2.584 -12.542
   94    HB3  GLU  43           HB3      GLU  43   0.098  -1.387 -12.104
   95    HG2  GLU  43           HG2      GLU  43   1.912  -2.938 -12.820
   96    HG3  GLU  43           HG3      GLU  43   0.674  -4.106 -13.320
   97    H    ARG  44           H        ARG  44   1.349  -1.083  -9.826
   98    HA   ARG  44           HA       ARG  44   3.952  -2.282  -9.794
   99    HB2  ARG  44           HB2      ARG  44   3.195   0.201  -9.950
  100    HB3  ARG  44           HB3      ARG  44   3.157   0.185  -8.189
  101    HG2  ARG  44           HG2      ARG  44   5.539  -0.195  -8.084
  102    HG3  ARG  44           HG3      ARG  44   5.581  -0.736  -9.764
  103    HD2  ARG  44           HD2      ARG  44   6.528   1.399  -9.819
  104    HD3  ARG  44           HD3      ARG  44   4.933   1.566 -10.522
  105    HE   ARG  44           HE       ARG  44   4.327   3.024  -8.795
  106   HH11  ARG  44          HH11      ARG  44   7.417   1.565  -7.926
  107   HH12  ARG  44          HH12      ARG  44   7.625   2.683  -6.605
  108   HH21  ARG  44          HH21      ARG  44   4.745   4.405  -7.145
  109   HH22  ARG  44          HH22      ARG  44   6.211   4.172  -6.163
  110    H    LEU  45           H        LEU  45   1.581  -1.849  -7.165
  111    HA   LEU  45           HA       LEU  45   3.313  -2.926  -5.093
  112    HB2  LEU  45           HB2      LEU  45   0.312  -2.546  -5.299
  113    HB3  LEU  45           HB3      LEU  45   1.137  -3.090  -3.837
  114    HG   LEU  45           HG       LEU  45   1.724  -0.426  -5.196
  115   HD11  LEU  45          HD11      LEU  45   0.407   0.547  -3.337
  116   HD12  LEU  45          HD12      LEU  45  -0.054  -1.090  -2.826
  117   HD13  LEU  45          HD13      LEU  45  -0.576  -0.478  -4.404
  118   HD21  LEU  45          HD21      LEU  45   2.737   0.169  -3.033
  119   HD22  LEU  45          HD22      LEU  45   3.591  -1.160  -3.811
  120   HD23  LEU  45          HD23      LEU  45   2.489  -1.483  -2.453
  121    H    ARG  46           H        ARG  46   1.042  -4.479  -7.363
  122    HA   ARG  46           HA       ARG  46   1.280  -7.161  -6.240
  123    HB2  ARG  46           HB2      ARG  46   0.689  -6.107  -9.026
  124    HB3  ARG  46           HB3      ARG  46   0.785  -7.838  -8.674
  125    HG2  ARG  46           HG2      ARG  46  -1.073  -7.732  -7.159
  126    HG3  ARG  46           HG3      ARG  46  -1.079  -5.963  -7.188
  127    HD2  ARG  46           HD2      ARG  46  -1.459  -6.222  -9.758
  128    HD3  ARG  46           HD3      ARG  46  -1.910  -7.890  -9.389
  129    HE   ARG  46           HE       ARG  46  -3.181  -5.387  -8.301
  130   HH11  ARG  46          HH11      ARG  46  -3.691  -8.891  -8.742
  131   HH12  ARG  46          HH12      ARG  46  -5.397  -8.659  -8.375
  132   HH21  ARG  46          HH21      ARG  46  -5.158  -5.315  -7.884
  133   HH22  ARG  46          HH22      ARG  46  -6.225  -6.751  -7.943
  134    H    ASN  47           H        ASN  47   3.299  -5.168  -8.360
  135    HA   ASN  47           HA       ASN  47   5.244  -7.321  -8.834
  136    HB2  ASN  47           HB2      ASN  47   5.687  -4.314  -9.054
  137    HB3  ASN  47           HB3      ASN  47   6.771  -5.565  -9.560
  138   HD21  ASN  47          HD21      ASN  47   5.752  -3.503 -11.235
  139   HD22  ASN  47          HD22      ASN  47   4.891  -4.365 -12.515
  140    H    TYR  48           H        TYR  48   5.112  -4.612  -6.400
  141    HA   TYR  48           HA       TYR  48   7.535  -5.160  -5.200
  142    HB2  TYR  48           HB2      TYR  48   5.033  -3.936  -4.151
  143    HB3  TYR  48           HB3      TYR  48   6.297  -4.304  -3.084
  144    HD1  TYR  48           HD1      TYR  48   8.470  -3.214  -3.229
  145    HD2  TYR  48           HD2      TYR  48   5.123  -1.848  -5.510
  146    HE1  TYR  48           HE1      TYR  48   9.611  -0.986  -3.559
  147    HE2  TYR  48           HE2      TYR  48   6.141   0.408  -5.669
  148    HH   TYR  48           HH       TYR  48   9.282   1.126  -4.120
  149    H    LEU  49           H        LEU  49   4.495  -6.874  -4.325
  150    HA   LEU  49           HA       LEU  49   5.842  -8.391  -2.267
  151    HB2  LEU  49           HB2      LEU  49   3.382  -9.019  -3.947
  152    HB3  LEU  49           HB3      LEU  49   3.993 -10.119  -2.711
  153    HG   LEU  49           HG       LEU  49   3.135  -7.286  -2.155
  154   HD11  LEU  49          HD11      LEU  49   1.208  -8.610  -2.823
  155   HD12  LEU  49          HD12      LEU  49   1.175  -8.531  -1.052
  156   HD13  LEU  49          HD13      LEU  49   1.754  -9.993  -1.849
  157   HD21  LEU  49          HD21      LEU  49   3.736  -9.558  -0.235
  158   HD22  LEU  49          HD22      LEU  49   3.113  -7.960   0.206
  159   HD23  LEU  49          HD23      LEU  49   4.733  -8.096  -0.463
  160    H    LYS  50           H        LYS  50   5.495  -9.149  -5.773
  161    HA   LYS  50           HA       LYS  50   6.749 -11.767  -5.451
  162    HB2  LYS  50           HB2      LYS  50   6.610 -10.038  -7.945
  163    HB3  LYS  50           HB3      LYS  50   7.023 -11.761  -7.817
  164    HG2  LYS  50           HG2      LYS  50   4.733 -12.248  -6.989
  165    HG3  LYS  50           HG3      LYS  50   4.296 -10.549  -7.225
  166    HD2  LYS  50           HD2      LYS  50   5.321 -12.421  -9.403
  167    HD3  LYS  50           HD3      LYS  50   3.618 -12.052  -9.123
  168    HE2  LYS  50           HE2      LYS  50   3.885  -9.764  -9.762
  169    HE3  LYS  50           HE3      LYS  50   5.650  -9.858  -9.736
  170    HZ1  LYS  50           HZ1      LYS  50   4.085 -11.576 -11.572
  171    HZ2  LYS  50           HZ2      LYS  50   5.665 -11.198 -11.649
  172    HZ3  LYS  50           HZ3      LYS  50   4.557 -10.060 -12.022
  173    H    LYS  51           H        LYS  51   7.953  -8.584  -6.476
  174    HA   LYS  51           HA       LYS  51  10.733  -9.245  -6.767
  175    HB2  LYS  51           HB2      LYS  51   9.193  -6.725  -6.227
  176    HB3  LYS  51           HB3      LYS  51  10.960  -6.762  -6.179
  177    HG2  LYS  51           HG2      LYS  51  10.853  -7.794  -8.522
  178    HG3  LYS  51           HG3      LYS  51   9.141  -7.362  -8.543
  179    HD2  LYS  51           HD2      LYS  51  10.546  -5.711  -9.685
  180    HD3  LYS  51           HD3      LYS  51   9.766  -4.996  -8.269
  181    HE2  LYS  51           HE2      LYS  51  11.777  -4.962  -7.011
  182    HE3  LYS  51           HE3      LYS  51  12.539  -6.195  -8.030
  183    HZ1  LYS  51           HZ1      LYS  51  11.933  -3.464  -8.961
  184    HZ2  LYS  51           HZ2      LYS  51  13.403  -3.966  -8.382
  185    HZ3  LYS  51           HZ3      LYS  51  12.771  -4.642  -9.763
  186    H    GLY  52           H        GLY  52   8.824  -8.864  -3.881
  187    HA2  GLY  52           HA2      GLY  52  11.201  -8.075  -2.297
  188    HA3  GLY  52           HA3      GLY  52   9.503  -7.747  -2.033
  189    H    THR  53           H        THR  53   8.354 -10.348  -2.045
  190    HA   THR  53           HA       THR  53   9.286 -11.325   0.580
  191    HB   THR  53           HB       THR  53   7.187 -12.476   0.674
  192    HG1  THR  53           HG1      THR  53   6.650 -11.459  -1.974
  193   HG21  THR  53          HG21      THR  53   5.531 -10.710   0.507
  194   HG22  THR  53          HG22      THR  53   6.703  -9.663  -0.333
  195   HG23  THR  53          HG23      THR  53   6.998 -10.216   1.333
  196    H    LYS  54           H        LYS  54   9.208 -13.761   0.994
  197    HA   LYS  54           HA       LYS  54  10.514 -15.278  -1.132
  198    HB2  LYS  54           HB2      LYS  54   9.383 -16.291   1.501
  199    HB3  LYS  54           HB3      LYS  54  10.417 -17.180   0.390
  200    HG2  LYS  54           HG2      LYS  54  12.252 -15.617   0.695
  201    HG3  LYS  54           HG3      LYS  54  11.258 -14.559   1.708
  202    HD2  LYS  54           HD2      LYS  54  11.044 -16.348   3.402
  203    HD3  LYS  54           HD3      LYS  54  12.108 -17.393   2.410
  204    HE2  LYS  54           HE2      LYS  54  13.830 -15.556   2.475
  205    HE3  LYS  54           HE3      LYS  54  12.774 -14.646   3.564
  206    HZ1  LYS  54           HZ1      LYS  54  14.030 -17.274   4.136
  207    HZ2  LYS  54           HZ2      LYS  54  12.963 -16.519   5.150
  208    HZ3  LYS  54           HZ3      LYS  54  14.446 -15.859   4.788
  209    H    ASN  55           H        ASN  55   7.173 -15.129   0.170
  210    HA   ASN  55           HA       ASN  55   6.272 -16.148  -2.446
  211    HB2  ASN  55           HB2      ASN  55   6.356 -18.149  -0.980
  212    HB3  ASN  55           HB3      ASN  55   5.429 -17.296   0.252
  213   HD21  ASN  55          HD21      ASN  55   3.623 -18.627   0.277
  214   HD22  ASN  55          HD22      ASN  55   2.533 -18.776  -1.086
  215    H    SER  56           H        SER  56   5.127 -14.597  -3.227
  216    HA   SER  56           HA       SER  56   3.610 -12.640  -1.771
  217    HB2  SER  56           HB2      SER  56   4.516 -12.096  -3.887
  218    HB3  SER  56           HB3      SER  56   3.856 -13.527  -4.658
  219    HG   SER  56           HG       SER  56   1.863 -12.675  -4.668
  220    H    ALA  57           H        ALA  57   2.720 -15.873  -2.934
  221    HA   ALA  57           HA       ALA  57   0.025 -15.338  -3.480
  222    HB1  ALA  57           HB1      ALA  57  -0.175 -17.789  -3.653
  223    HB2  ALA  57           HB2      ALA  57   1.365 -17.987  -2.800
  224    HB3  ALA  57           HB3      ALA  57   1.325 -17.216  -4.400
  225    H    GLN  58           H        GLN  58   1.258 -15.533  -0.309
  226    HA   GLN  58           HA       GLN  58  -1.194 -16.594   0.906
  227    HB2  GLN  58           HB2      GLN  58  -0.035 -16.213   3.005
  228    HB3  GLN  58           HB3      GLN  58   0.976 -17.126   1.885
  229    HG2  GLN  58           HG2      GLN  58   2.261 -15.081   1.337
  230    HG3  GLN  58           HG3      GLN  58   1.265 -14.134   2.425
  231   HE21  GLN  58          HE21      GLN  58   4.275 -14.889   2.435
  232   HE22  GLN  58          HE22      GLN  58   4.452 -15.431   4.103
  233    H    PHE  59           H        PHE  59  -0.187 -13.505  -0.278
  234    HA   PHE  59           HA       PHE  59  -1.735 -11.953   1.709
  235    HB2  PHE  59           HB2      PHE  59  -0.006 -11.149  -0.641
  236    HB3  PHE  59           HB3      PHE  59  -0.852 -10.024   0.412
  237    HD1  PHE  59           HD1      PHE  59  -0.254  -9.858   2.845
  238    HD2  PHE  59           HD2      PHE  59   2.110 -12.174   0.097
  239    HE1  PHE  59           HE1      PHE  59   1.627  -9.846   4.457
  240    HE2  PHE  59           HE2      PHE  59   3.973 -12.214   1.725
  241    HZ   PHE  59           HZ       PHE  59   3.743 -11.037   3.902
  242    H    GLU  60           H        GLU  60  -3.722 -11.034   1.337
  243    HA   GLU  60           HA       GLU  60  -5.060 -11.810  -1.239
  244    HB2  GLU  60           HB2      GLU  60  -6.986 -12.424  -0.142
  245    HB3  GLU  60           HB3      GLU  60  -5.681 -13.143   0.810
  246    HG2  GLU  60           HG2      GLU  60  -5.868 -11.228   2.401
  247    HG3  GLU  60           HG3      GLU  60  -7.241 -10.603   1.489
  248    H    LYS  61           H        LYS  61  -4.572  -9.259   1.080
  249    HA   LYS  61           HA       LYS  61  -5.344  -7.351  -0.974
  250    HB2  LYS  61           HB2      LYS  61  -6.950  -6.090   0.183
  251    HB3  LYS  61           HB3      LYS  61  -7.500  -7.753   0.240
  252    HG2  LYS  61           HG2      LYS  61  -6.793  -7.923   2.607
  253    HG3  LYS  61           HG3      LYS  61  -6.124  -6.282   2.551
  254    HD2  LYS  61           HD2      LYS  61  -8.229  -5.274   2.265
  255    HD3  LYS  61           HD3      LYS  61  -9.002  -6.766   1.757
  256    HE2  LYS  61           HE2      LYS  61  -7.903  -6.291   4.546
  257    HE3  LYS  61           HE3      LYS  61  -9.574  -5.969   4.081
  258    HZ1  LYS  61           HZ1      LYS  61  -9.838  -8.367   3.590
  259    HZ2  LYS  61           HZ2      LYS  61  -9.327  -8.123   5.123
  260    HZ3  LYS  61           HZ3      LYS  61  -8.260  -8.636   4.036
  261    H    MET  62           H        MET  62  -5.084  -5.136  -0.197
  262    HA   MET  62           HA       MET  62  -2.881  -4.690   1.713
  263    HB2  MET  62           HB2      MET  62  -1.472  -3.552   0.090
  264    HB3  MET  62           HB3      MET  62  -1.781  -5.212  -0.424
  265    HG2  MET  62           HG2      MET  62  -3.561  -4.375  -1.963
  266    HG3  MET  62           HG3      MET  62  -3.124  -2.717  -1.519
  267    HE1  MET  62           HE1      MET  62  -1.897  -3.388  -5.261
  268    HE2  MET  62           HE2      MET  62  -2.878  -2.303  -4.243
  269    HE3  MET  62           HE3      MET  62  -3.330  -4.017  -4.434
  270    H    VAL  63           H        VAL  63  -2.515  -2.445   2.180
  271    HA   VAL  63           HA       VAL  63  -4.686  -0.579   1.446
  272    HB   VAL  63           HB       VAL  63  -3.864  -1.201   4.313
  273   HG11  VAL  63          HG11      VAL  63  -5.564   0.444   4.957
  274   HG12  VAL  63          HG12      VAL  63  -5.828   0.886   3.271
  275   HG13  VAL  63          HG13      VAL  63  -4.267   1.229   4.061
  276   HG21  VAL  63          HG21      VAL  63  -5.453  -2.847   3.585
  277   HG22  VAL  63          HG22      VAL  63  -6.404  -1.643   2.710
  278   HG23  VAL  63          HG23      VAL  63  -6.405  -1.636   4.465
  279    H    ILE  64           H        ILE  64  -4.047   1.446   1.179
  280    HA   ILE  64           HA       ILE  64  -1.096   1.991   1.264
  281    HB   ILE  64           HB       ILE  64  -3.198   2.913  -0.729
  282   HG12  ILE  64          HG12      ILE  64  -1.080   0.814  -1.324
  283   HG13  ILE  64          HG13      ILE  64  -2.701   0.365  -0.809
  284   HG21  ILE  64          HG21      ILE  64  -1.296   3.660  -2.090
  285   HG22  ILE  64          HG22      ILE  64  -0.150   3.039  -0.885
  286   HG23  ILE  64          HG23      ILE  64  -1.210   4.415  -0.509
  287   HD11  ILE  64          HD11      ILE  64  -3.680   1.610  -2.714
  288   HD12  ILE  64          HD12      ILE  64  -2.655   0.242  -3.180
  289   HD13  ILE  64          HD13      ILE  64  -2.036   1.893  -3.333
  290    H    LEU  65           H        LEU  65  -0.468   3.886   2.211
  291    HA   LEU  65           HA       LEU  65  -2.572   5.897   2.951
  292    HB2  LEU  65           HB2      LEU  65  -0.052   5.365   4.550
  293    HB3  LEU  65           HB3      LEU  65  -1.393   6.429   4.953
  294    HG   LEU  65           HG       LEU  65  -1.434   3.400   4.932
  295   HD11  LEU  65          HD11      LEU  65  -1.704   3.590   7.337
  296   HD12  LEU  65          HD12      LEU  65  -1.794   5.363   7.232
  297   HD13  LEU  65          HD13      LEU  65  -0.277   4.526   6.867
  298   HD21  LEU  65          HD21      LEU  65  -3.694   3.603   5.950
  299   HD22  LEU  65          HD22      LEU  65  -3.678   4.200   4.288
  300   HD23  LEU  65          HD23      LEU  65  -3.673   5.355   5.638
  301    H    THR  66           H        THR  66  -2.303   7.730   1.868
  302    HA   THR  66           HA       THR  66   0.323   8.221   0.515
  303    HB   THR  66           HB       THR  66  -0.940   9.502  -1.109
  304    HG1  THR  66           HG1      THR  66  -2.614  10.269   0.133
  305   HG21  THR  66          HG21      THR  66  -0.705   7.058  -1.468
  306   HG22  THR  66          HG22      THR  66  -2.175   7.727  -2.199
  307   HG23  THR  66          HG23      THR  66  -2.287   6.807  -0.683
  308    H    GLU  67           H        GLU  67   0.716  10.656  -0.020
  309    HA   GLU  67           HA       GLU  67   0.504  12.459   2.174
  310    HB2  GLU  67           HB2      GLU  67   0.183  13.464  -0.643
  311    HB3  GLU  67           HB3      GLU  67   0.965  14.208   0.723
  312    HG2  GLU  67           HG2      GLU  67   2.898  12.822   0.491
  313    HG3  GLU  67           HG3      GLU  67   2.124  11.802  -0.726
  314    H    ASN  68           H        ASN  68  -0.839  14.560   1.937
  315    HA   ASN  68           HA       ASN  68  -2.829  15.551   2.329
  316    HB2  ASN  68           HB2      ASN  68  -3.458  14.174  -0.298
  317    HB3  ASN  68           HB3      ASN  68  -4.392  15.499   0.353
  318   HD21  ASN  68          HD21      ASN  68  -1.730  14.735  -1.620
  319   HD22  ASN  68          HD22      ASN  68  -0.939  16.309  -1.572
  320    H    LYS  69           H        LYS  69  -2.542  12.976   3.635
  321    HA   LYS  69           HA       LYS  69  -3.662  11.538   4.933
  322    HB2  LYS  69           HB2      LYS  69  -5.749  13.743   4.990
  323    HB3  LYS  69           HB3      LYS  69  -5.511  12.459   6.186
  324    HG2  LYS  69           HG2      LYS  69  -3.152  13.316   6.553
  325    HG3  LYS  69           HG3      LYS  69  -3.504  14.658   5.460
  326    HD2  LYS  69           HD2      LYS  69  -3.719  15.424   7.729
  327    HD3  LYS  69           HD3      LYS  69  -5.298  15.431   6.942
  328    HE2  LYS  69           HE2      LYS  69  -5.538  14.600   9.174
  329    HE3  LYS  69           HE3      LYS  69  -5.839  13.274   8.036
  330    HZ1  LYS  69           HZ1      LYS  69  -4.413  12.681   9.967
  331    HZ2  LYS  69           HZ2      LYS  69  -3.243  13.705   9.421
  332    HZ3  LYS  69           HZ3      LYS  69  -3.682  12.379   8.534
  333    H    GLY  70           H        GLY  70  -3.950  10.978   2.242
  334    HA2  GLY  70           HA2      GLY  70  -6.605   9.783   1.852
  335    HA3  GLY  70           HA3      GLY  70  -5.202   9.596   0.806
  336    H    TYR  71           H        TYR  71  -7.098   7.683   1.810
  337    HA   TYR  71           HA       TYR  71  -5.258   5.534   2.680
  338    HB2  TYR  71           HB2      TYR  71  -6.202   6.017   4.775
  339    HB3  TYR  71           HB3      TYR  71  -7.724   6.537   4.083
  340    HD1  TYR  71           HD1      TYR  71  -9.386   4.895   3.205
  341    HD2  TYR  71           HD2      TYR  71  -5.988   3.689   5.591
  342    HE1  TYR  71           HE1      TYR  71 -10.490   2.730   3.679
  343    HE2  TYR  71           HE2      TYR  71  -7.153   1.566   6.142
  344    HH   TYR  71           HH       TYR  71 -10.402   0.782   4.831
  345    H    TYR  72           H        TYR  72  -5.634   3.721   1.474
  346    HA   TYR  72           HA       TYR  72  -8.211   3.386   0.014
  347    HB2  TYR  72           HB2      TYR  72  -5.464   3.203  -1.291
  348    HB3  TYR  72           HB3      TYR  72  -7.011   2.895  -2.067
  349    HD1  TYR  72           HD1      TYR  72  -8.631   4.772  -2.449
  350    HD2  TYR  72           HD2      TYR  72  -4.636   5.459  -0.972
  351    HE1  TYR  72           HE1      TYR  72  -8.917   7.212  -2.814
  352    HE2  TYR  72           HE2      TYR  72  -4.912   7.906  -1.363
  353    HH   TYR  72           HH       TYR  72  -8.047   9.284  -2.379
  354    H    THR  73           H        THR  73  -8.849   1.261  -0.207
  355    HA   THR  73           HA       THR  73  -6.945  -0.856   0.714
  356    HB   THR  73           HB       THR  73  -8.583  -0.575   2.450
  357    HG1  THR  73           HG1      THR  73  -9.371  -2.738   2.384
  358   HG21  THR  73          HG21      THR  73 -10.940  -1.065   2.168
  359   HG22  THR  73          HG22      THR  73 -10.739  -1.259   0.411
  360   HG23  THR  73          HG23      THR  73 -10.505   0.332   1.175
  361    H    VAL  74           H        VAL  74  -6.720  -2.607  -0.499
  362    HA   VAL  74           HA       VAL  74  -8.077  -2.628  -3.165
  363    HB   VAL  74           HB       VAL  74  -5.062  -2.487  -2.738
  364   HG11  VAL  74          HG11      VAL  74  -5.068  -2.074  -5.191
  365   HG12  VAL  74          HG12      VAL  74  -6.821  -2.327  -5.222
  366   HG13  VAL  74          HG13      VAL  74  -5.719  -3.661  -4.780
  367   HG21  VAL  74          HG21      VAL  74  -5.214  -0.220  -3.792
  368   HG22  VAL  74          HG22      VAL  74  -5.912  -0.284  -2.177
  369   HG23  VAL  74          HG23      VAL  74  -6.980  -0.286  -3.600
  370    H    TYR  75           H        TYR  75  -8.753  -4.634  -3.513
  371    HA   TYR  75           HA       TYR  75  -7.626  -6.890  -2.022
  372    HB2  TYR  75           HB2      TYR  75  -9.969  -6.559  -3.903
  373    HB3  TYR  75           HB3      TYR  75  -9.447  -8.131  -3.315
  374    HD1  TYR  75           HD1      TYR  75 -10.604  -4.749  -2.125
  375    HD2  TYR  75           HD2      TYR  75 -10.023  -8.910  -1.138
  376    HE1  TYR  75           HE1      TYR  75 -11.789  -4.402   0.020
  377    HE2  TYR  75           HE2      TYR  75 -11.259  -8.569   0.979
  378    HH   TYR  75           HH       TYR  75 -12.506  -5.344   1.963
  379    H    LEU  76           H        LEU  76  -6.015  -8.094  -2.647
  380    HA   LEU  76           HA       LEU  76  -4.884  -8.017  -5.378
  381    HB2  LEU  76           HB2      LEU  76  -4.125  -9.502  -2.822
  382    HB3  LEU  76           HB3      LEU  76  -3.218  -9.589  -4.320
  383    HG   LEU  76           HG       LEU  76  -3.707  -6.930  -2.904
  384   HD11  LEU  76          HD11      LEU  76  -1.456  -7.169  -1.971
  385   HD12  LEU  76          HD12      LEU  76  -1.360  -8.836  -2.591
  386   HD13  LEU  76          HD13      LEU  76  -2.550  -8.410  -1.338
  387   HD21  LEU  76          HD21      LEU  76  -1.645  -7.887  -4.934
  388   HD22  LEU  76          HD22      LEU  76  -1.678  -6.280  -4.194
  389   HD23  LEU  76          HD23      LEU  76  -2.993  -6.770  -5.265
  390    H    ASN  77           H        ASN  77  -6.836 -10.098  -3.339
  391    HA   ASN  77           HA       ASN  77  -6.880 -12.459  -4.911
  392    HB2  ASN  77           HB2      ASN  77  -7.592 -12.104  -2.500
  393    HB3  ASN  77           HB3      ASN  77  -9.049 -11.309  -3.102
  394   HD21  ASN  77          HD21      ASN  77 -10.452 -12.884  -2.169
  395   HD22  ASN  77          HD22      ASN  77 -10.480 -14.525  -2.809
  396    H    THR  78           H        THR  78  -7.869  -9.483  -6.042
  397    HA   THR  78           HA       THR  78  -9.512 -10.759  -8.137
  398    HB   THR  78           HB       THR  78 -10.901  -8.710  -8.315
  399    HG1  THR  78           HG1      THR  78 -11.041  -7.553  -6.238
  400   HG21  THR  78          HG21      THR  78 -11.143 -10.028  -5.578
  401   HG22  THR  78          HG22      THR  78 -11.683 -10.773  -7.096
  402   HG23  THR  78          HG23      THR  78 -12.434  -9.272  -6.537
  403    HA   PRO  79           HA       PRO  79  -6.482  -8.622 -10.750
  404    HB2  PRO  79           HB2      PRO  79  -8.755  -8.720 -12.726
  405    HB3  PRO  79           HB3      PRO  79  -7.032  -9.137 -12.974
  406    HG2  PRO  79           HG2      PRO  79  -8.868 -11.089 -12.667
  407    HG3  PRO  79           HG3      PRO  79  -7.303 -11.206 -11.789
  408    HD2  PRO  79           HD2      PRO  79  -9.965 -10.249 -10.725
  409    HD3  PRO  79           HD3      PRO  79  -8.783 -11.393 -10.001
  410    H    LEU  80           H        LEU  80  -6.162  -6.525 -11.645
  411    HA   LEU  80           HA       LEU  80  -7.743  -4.359 -10.641
  412    HB2  LEU  80           HB2      LEU  80  -5.246  -4.658 -11.246
  413    HB3  LEU  80           HB3      LEU  80  -5.711  -4.333 -12.907
  414    HG   LEU  80           HG       LEU  80  -6.237  -2.415 -10.576
  415   HD11  LEU  80          HD11      LEU  80  -4.164  -1.284 -11.402
  416   HD12  LEU  80          HD12      LEU  80  -3.939  -2.574 -12.603
  417   HD13  LEU  80          HD13      LEU  80  -3.815  -2.945 -10.878
  418   HD21  LEU  80          HD21      LEU  80  -6.121  -1.952 -13.573
  419   HD22  LEU  80          HD22      LEU  80  -6.302  -0.704 -12.312
  420   HD23  LEU  80          HD23      LEU  80  -7.580  -1.890 -12.554
  421    H    ALA  81           H        ALA  81  -9.484  -3.348 -11.535
  422    HA   ALA  81           HA       ALA  81 -10.267  -3.831 -14.375
  423    HB1  ALA  81           HB1      ALA  81 -12.079  -3.881 -11.929
  424    HB2  ALA  81           HB2      ALA  81 -11.523  -5.313 -12.827
  425    HB3  ALA  81           HB3      ALA  81 -12.577  -4.129 -13.615
  426    H    GLU  82           H        GLU  82 -12.152  -2.277 -14.954
  427    HA   GLU  82           HA       GLU  82 -11.076   0.134 -15.406
  428    HB2  GLU  82           HB2      GLU  82 -13.224   0.972 -16.112
  429    HB3  GLU  82           HB3      GLU  82 -12.958  -0.686 -16.646
  430    HG2  GLU  82           HG2      GLU  82 -14.498  -1.560 -15.004
  431    HG3  GLU  82           HG3      GLU  82 -14.620  -0.001 -14.180
  432    H    ASP  83           H        ASP  83 -12.973  -0.397 -12.437
  433    HA   ASP  83           HA       ASP  83 -13.166   2.433 -11.764
  434    HB2  ASP  83           HB2      ASP  83 -13.393  -0.107 -10.100
  435    HB3  ASP  83           HB3      ASP  83 -13.750   1.515  -9.491
  436    H    ARG  84           H        ARG  84 -10.704  -0.027 -11.303
  437    HA   ARG  84           HA       ARG  84  -9.133   1.611  -9.380
  438    HB2  ARG  84           HB2      ARG  84  -8.723  -1.150 -10.616
  439    HB3  ARG  84           HB3      ARG  84  -7.684  -0.439  -9.386
  440    HG2  ARG  84           HG2      ARG  84  -9.267  -0.662  -7.678
  441    HG3  ARG  84           HG3      ARG  84 -10.633  -0.687  -8.778
  442    HD2  ARG  84           HD2      ARG  84 -10.506  -2.837  -8.012
  443    HD3  ARG  84           HD3      ARG  84  -9.862  -2.932  -9.644
  444    HE   ARG  84           HE       ARG  84  -7.570  -2.674  -8.091
  445   HH11  ARG  84          HH11      ARG  84 -10.190  -5.047  -8.046
  446   HH12  ARG  84          HH12      ARG  84  -9.303  -6.088  -6.954
  447   HH21  ARG  84          HH21      ARG  84  -6.562  -3.978  -6.866
  448   HH22  ARG  84          HH22      ARG  84  -7.315  -5.471  -6.220
  449    H    LYS  85           H        LYS  85  -9.263   0.716 -12.791
  450    HA   LYS  85           HA       LYS  85  -6.652   1.632 -13.599
  451    HB2  LYS  85           HB2      LYS  85  -9.299   1.383 -15.062
  452    HB3  LYS  85           HB3      LYS  85  -7.809   1.896 -15.842
  453    HG2  LYS  85           HG2      LYS  85  -6.700  -0.226 -15.109
  454    HG3  LYS  85           HG3      LYS  85  -8.269  -0.776 -14.475
  455    HD2  LYS  85           HD2      LYS  85  -9.246  -0.512 -16.735
  456    HD3  LYS  85           HD3      LYS  85  -7.641  -0.043 -17.341
  457    HE2  LYS  85           HE2      LYS  85  -6.731  -2.242 -16.721
  458    HE3  LYS  85           HE3      LYS  85  -8.279  -2.706 -15.986
  459    HZ1  LYS  85           HZ1      LYS  85  -9.312  -2.554 -18.146
  460    HZ2  LYS  85           HZ2      LYS  85  -8.060  -3.606 -18.232
  461    HZ3  LYS  85           HZ3      LYS  85  -7.918  -2.069 -18.856
  462    H    ASN  86           H        ASN  86  -9.578   3.393 -12.891
  463    HA   ASN  86           HA       ASN  86  -8.400   5.910 -14.009
  464    HB2  ASN  86           HB2      ASN  86 -11.245   4.836 -13.908
  465    HB3  ASN  86           HB3      ASN  86 -10.792   6.407 -14.550
  466   HD21  ASN  86          HD21      ASN  86 -11.448   3.278 -15.397
  467   HD22  ASN  86          HD22      ASN  86 -10.845   3.430 -17.053
  468    H    VAL  87           H        VAL  87  -9.199   4.636 -10.991
  469    HA   VAL  87           HA       VAL  87 -10.199   7.062  -9.734
  470    HB   VAL  87           HB       VAL  87 -10.433   4.753  -8.806
  471   HG11  VAL  87          HG11      VAL  87  -8.694   3.673  -7.589
  472   HG12  VAL  87          HG12      VAL  87  -7.542   4.987  -7.903
  473   HG13  VAL  87          HG13      VAL  87  -8.097   3.951  -9.233
  474   HG21  VAL  87          HG21      VAL  87  -9.056   6.673  -6.908
  475   HG22  VAL  87          HG22      VAL  87 -10.167   5.349  -6.504
  476   HG23  VAL  87          HG23      VAL  87 -10.766   6.749  -7.407
  477    H    GLU  88           H        GLU  88  -9.045   8.745  -8.826
  478    HA   GLU  88           HA       GLU  88  -6.067   8.680  -9.084
  479    HB2  GLU  88           HB2      GLU  88  -8.010  11.001  -8.951
  480    HB3  GLU  88           HB3      GLU  88  -6.262  11.167  -8.734
  481    HG2  GLU  88           HG2      GLU  88  -5.859  10.128 -10.941
  482    HG3  GLU  88           HG3      GLU  88  -7.604  10.038 -11.215
  483    H    LEU  89           H        LEU  89  -4.779   8.990  -7.478
  484    HA   LEU  89           HA       LEU  89  -5.629   8.511  -4.732
  485    HB2  LEU  89           HB2      LEU  89  -2.972   9.039  -6.123
  486    HB3  LEU  89           HB3      LEU  89  -3.083   8.555  -4.454
  487    HG   LEU  89           HG       LEU  89  -4.126   6.861  -6.785
  488   HD11  LEU  89          HD11      LEU  89  -2.117   5.516  -6.562
  489   HD12  LEU  89          HD12      LEU  89  -1.482   6.624  -5.318
  490   HD13  LEU  89          HD13      LEU  89  -1.707   7.178  -6.988
  491   HD21  LEU  89          HD21      LEU  89  -5.117   6.265  -4.589
  492   HD22  LEU  89          HD22      LEU  89  -3.479   6.095  -3.909
  493   HD23  LEU  89          HD23      LEU  89  -4.034   5.006  -5.200
  494    H    LEU  90           H        LEU  90  -5.419   9.927  -2.983
  495    HA   LEU  90           HA       LEU  90  -5.461  12.772  -3.371
  496    HB2  LEU  90           HB2      LEU  90  -5.390  10.862  -1.055
  497    HB3  LEU  90           HB3      LEU  90  -4.949  12.520  -0.717
  498    HG   LEU  90           HG       LEU  90  -7.533  11.848  -2.169
  499   HD11  LEU  90          HD11      LEU  90  -8.653  12.139   0.021
  500   HD12  LEU  90          HD12      LEU  90  -7.066  12.209   0.823
  501   HD13  LEU  90          HD13      LEU  90  -7.603  10.723  -0.004
  502   HD21  LEU  90          HD21      LEU  90  -8.219  14.062  -1.372
  503   HD22  LEU  90          HD22      LEU  90  -6.733  14.214  -2.311
  504   HD23  LEU  90          HD23      LEU  90  -6.662  14.279  -0.537
  505    H    GLY  91           H        GLY  91  -2.753  10.587  -2.921
  506    HA2  GLY  91           HA2      GLY  91  -0.873  12.729  -3.498
  507    HA3  GLY  91           HA3      GLY  91  -0.793  12.122  -1.844
  508    H    LYS  92           H        LYS  92   1.454  11.877  -2.962
  509    HA   LYS  92           HA       LYS  92   1.976   9.493  -4.438
  510    HB2  LYS  92           HB2      LYS  92   3.391  11.683  -3.953
  511    HB3  LYS  92           HB3      LYS  92   3.983  10.759  -2.586
  512    HG2  LYS  92           HG2      LYS  92   5.514  10.337  -4.315
  513    HG3  LYS  92           HG3      LYS  92   4.458   8.916  -4.393
  514    HD2  LYS  92           HD2      LYS  92   3.155  10.175  -6.225
  515    HD3  LYS  92           HD3      LYS  92   4.483  11.358  -6.199
  516    HE2  LYS  92           HE2      LYS  92   6.093   9.474  -6.623
  517    HE3  LYS  92           HE3      LYS  92   4.719   8.359  -6.716
  518    HZ1  LYS  92           HZ1      LYS  92   5.275  10.618  -8.554
  519    HZ2  LYS  92           HZ2      LYS  92   3.874   9.779  -8.569
  520    HZ3  LYS  92           HZ3      LYS  92   5.284   9.008  -8.928
  521    H    MET  93           H        MET  93   3.136   7.648  -3.790
  522    HA   MET  93           HA       MET  93   1.790   6.076  -1.828
  523    HB2  MET  93           HB2      MET  93   2.661   5.342  -4.092
  524    HB3  MET  93           HB3      MET  93   4.301   5.499  -3.473
  525    HG2  MET  93           HG2      MET  93   3.498   3.733  -1.670
  526    HG3  MET  93           HG3      MET  93   2.197   3.440  -2.808
  527    HE1  MET  93           HE1      MET  93   6.156   1.420  -2.798
  528    HE2  MET  93           HE2      MET  93   4.795   1.488  -1.655
  529    HE3  MET  93           HE3      MET  93   5.872   2.893  -1.842
  530    H    TYR  94           H        TYR  94   2.586   7.732   0.007
  531    HA   TYR  94           HA       TYR  94   5.194   7.519   0.977
  532    HB2  TYR  94           HB2      TYR  94   3.647   9.250   1.725
  533    HB3  TYR  94           HB3      TYR  94   2.640   8.062   2.519
  534    HD1  TYR  94           HD1      TYR  94   6.346   8.754   2.429
  535    HD2  TYR  94           HD2      TYR  94   2.846   8.104   4.875
  536    HE1  TYR  94           HE1      TYR  94   7.753   8.761   4.460
  537    HE2  TYR  94           HE2      TYR  94   4.275   8.155   6.916
  538    HH   TYR  94           HH       TYR  94   7.842   8.354   6.663
  539    H    LYS  95           H        LYS  95   2.441   5.419   1.991
  540    HA   LYS  95           HA       LYS  95   4.406   3.311   2.781
  541    HB2  LYS  95           HB2      LYS  95   2.080   4.232   4.521
  542    HB3  LYS  95           HB3      LYS  95   3.050   2.797   4.819
  543    HG2  LYS  95           HG2      LYS  95   4.118   5.633   4.904
  544    HG3  LYS  95           HG3      LYS  95   3.554   4.706   6.294
  545    HD2  LYS  95           HD2      LYS  95   5.333   3.035   5.953
  546    HD3  LYS  95           HD3      LYS  95   5.892   3.900   4.514
  547    HE2  LYS  95           HE2      LYS  95   6.168   5.964   6.045
  548    HE3  LYS  95           HE3      LYS  95   5.904   4.865   7.406
  549    HZ1  LYS  95           HZ1      LYS  95   8.125   4.845   5.462
  550    HZ2  LYS  95           HZ2      LYS  95   7.824   3.555   6.465
  551    HZ3  LYS  95           HZ3      LYS  95   8.229   5.011   7.093
  552    H    THR  96           H        THR  96   3.536   1.168   2.782
  553    HA   THR  96           HA       THR  96   0.676   0.812   2.144
  554    HB   THR  96           HB       THR  96   2.792  -0.644   0.507
  555    HG1  THR  96           HG1      THR  96   2.181   1.646   0.086
  556   HG21  THR  96          HG21      THR  96   0.843  -1.422  -0.821
  557   HG22  THR  96          HG22      THR  96  -0.263  -0.643   0.324
  558   HG23  THR  96          HG23      THR  96   0.734  -2.023   0.820
  559    H    TYR  97           H        TYR  97  -0.143  -1.039   2.865
  560    HA   TYR  97           HA       TYR  97   1.473  -2.793   4.671
  561    HB2  TYR  97           HB2      TYR  97  -1.312  -1.621   5.161
  562    HB3  TYR  97           HB3      TYR  97  -0.427  -2.677   6.238
  563    HD1  TYR  97           HD1      TYR  97  -0.567   0.776   4.840
  564    HD2  TYR  97           HD2      TYR  97   1.352  -1.860   7.650
  565    HE1  TYR  97           HE1      TYR  97   0.644   2.700   5.845
  566    HE2  TYR  97           HE2      TYR  97   2.587   0.051   8.611
  567    HH   TYR  97           HH       TYR  97   2.850   2.352   8.633
  568    H    PHE  98           H        PHE  98   1.015  -4.965   4.510
  569    HA   PHE  98           HA       PHE  98  -1.136  -5.822   2.579
  570    HB2  PHE  98           HB2      PHE  98   1.699  -6.773   2.956
  571    HB3  PHE  98           HB3      PHE  98   0.532  -7.576   1.935
  572    HD1  PHE  98           HD1      PHE  98   2.526  -4.413   2.285
  573    HD2  PHE  98           HD2      PHE  98   0.030  -6.843  -0.242
  574    HE1  PHE  98           HE1      PHE  98   3.198  -3.068   0.299
  575    HE2  PHE  98           HE2      PHE  98   0.796  -5.570  -2.234
  576    HZ   PHE  98           HZ       PHE  98   2.407  -3.706  -1.961
  577    H    PHE  99           H        PHE  99  -2.252  -7.670   2.926
  578    HA   PHE  99           HA       PHE  99  -2.107  -8.800   5.693
  579    HB2  PHE  99           HB2      PHE  99  -4.529  -8.049   3.994
  580    HB3  PHE  99           HB3      PHE  99  -4.558  -8.709   5.624
  581    HD1  PHE  99           HD1      PHE  99  -3.576  -5.733   3.593
  582    HD2  PHE  99           HD2      PHE  99  -4.279  -7.298   7.544
  583    HE1  PHE  99           HE1      PHE  99  -3.207  -3.475   4.544
  584    HE2  PHE  99           HE2      PHE  99  -4.023  -5.016   8.472
  585    HZ   PHE  99           HZ       PHE  99  -3.383  -3.124   6.996
  586    H    LYS 100           H        LYS 100  -2.160 -10.956   5.917
  587    HA   LYS 100           HA       LYS 100  -2.259 -12.631   3.518
  588    HB2  LYS 100           HB2      LYS 100  -1.887 -13.357   6.429
  589    HB3  LYS 100           HB3      LYS 100  -1.794 -14.503   5.071
  590    HG2  LYS 100           HG2      LYS 100   0.233 -13.929   4.442
  591    HG3  LYS 100           HG3      LYS 100   0.007 -12.202   4.672
  592    HD2  LYS 100           HD2      LYS 100   0.403 -12.385   7.044
  593    HD3  LYS 100           HD3      LYS 100   0.335 -14.151   6.976
  594    HE2  LYS 100           HE2      LYS 100   2.359 -13.993   5.383
  595    HE3  LYS 100           HE3      LYS 100   2.520 -12.320   5.906
  596    HZ1  LYS 100           HZ1      LYS 100   2.396 -14.548   7.854
  597    HZ2  LYS 100           HZ2      LYS 100   2.958 -13.034   8.105
  598    HZ3  LYS 100           HZ3      LYS 100   3.817 -14.093   7.166
  599    H    LYS 101           H        LYS 101  -3.483 -14.587   3.394
  600    HA   LYS 101           HA       LYS 101  -6.226 -14.404   3.217
  601    HB2  LYS 101           HB2      LYS 101  -4.539 -16.835   3.837
  602    HB3  LYS 101           HB3      LYS 101  -6.257 -16.915   3.440
  603    HG2  LYS 101           HG2      LYS 101  -5.816 -15.890   1.229
  604    HG3  LYS 101           HG3      LYS 101  -4.089 -15.784   1.615
  605    HD2  LYS 101           HD2      LYS 101  -4.047 -18.264   1.972
  606    HD3  LYS 101           HD3      LYS 101  -5.745 -18.330   1.465
  607    HE2  LYS 101           HE2      LYS 101  -5.053 -17.326  -0.744
  608    HE3  LYS 101           HE3      LYS 101  -3.363 -17.415  -0.213
  609    HZ1  LYS 101           HZ1      LYS 101  -3.767 -19.859   0.104
  610    HZ2  LYS 101           HZ2      LYS 101  -3.851 -19.383  -1.469
  611    HZ3  LYS 101           HZ3      LYS 101  -5.232 -19.679  -0.627
  612    H    GLY 102           H        GLY 102  -7.633 -13.663   4.690
  613    HA2  GLY 102           HA2      GLY 102  -9.117 -13.845   6.436
  614    HA3  GLY 102           HA3      GLY 102  -8.371 -15.367   6.924
  615    H    GLU 103           H        GLU 103  -6.395 -12.431   6.705
  616    HA   GLU 103           HA       GLU 103  -6.410 -12.134   9.699
  617    HB2  GLU 103           HB2      GLU 103  -4.123 -12.006   7.707
  618    HB3  GLU 103           HB3      GLU 103  -3.980 -11.391   9.336
  619    HG2  GLU 103           HG2      GLU 103  -4.840 -14.273   8.877
  620    HG3  GLU 103           HG3      GLU 103  -3.154 -13.793   8.759
  621    H    SER 104           H        SER 104  -5.906 -10.010  10.514
  622    HA   SER 104           HA       SER 104  -6.911  -7.807   8.753
  623    HB2  SER 104           HB2      SER 104  -8.312  -7.170  10.715
  624    HB3  SER 104           HB3      SER 104  -8.754  -8.705   9.957
  625    HG   SER 104           HG       SER 104  -8.692  -9.007  12.175
  626    H    LYS 105           H        LYS 105  -4.318  -8.586  10.632
  627    HA   LYS 105           HA       LYS 105  -3.578  -5.690  10.587
  628    HB2  LYS 105           HB2      LYS 105  -3.873  -6.436  12.901
  629    HB3  LYS 105           HB3      LYS 105  -2.679  -7.724  12.646
  630    HG2  LYS 105           HG2      LYS 105  -0.925  -6.188  12.463
  631    HG3  LYS 105           HG3      LYS 105  -1.944  -4.796  12.254
  632    HD2  LYS 105           HD2      LYS 105  -1.103  -4.748  14.531
  633    HD3  LYS 105           HD3      LYS 105  -2.822  -5.126  14.591
  634    HE2  LYS 105           HE2      LYS 105  -2.286  -7.530  14.802
  635    HE3  LYS 105           HE3      LYS 105  -0.553  -7.139  14.800
  636    HZ1  LYS 105           HZ1      LYS 105  -1.626  -7.399  17.070
  637    HZ2  LYS 105           HZ2      LYS 105  -2.468  -6.033  16.785
  638    HZ3  LYS 105           HZ3      LYS 105  -0.849  -5.951  16.863
  639    H    SER 106           H        SER 106  -1.741  -5.243   9.504
  640    HA   SER 106           HA       SER 106  -1.111  -7.102   7.457
  641    HB2  SER 106           HB2      SER 106   0.314  -5.456   6.527
  642    HB3  SER 106           HB3      SER 106  -1.028  -4.603   7.287
  643    HG   SER 106           HG       SER 106   1.684  -4.736   7.989
  644    H    SER 107           H        SER 107   0.959  -7.877   6.749
  645    HA   SER 107           HA       SER 107   2.949  -8.496   8.922
  646    HB2  SER 107           HB2      SER 107   1.482 -10.407   8.564
  647    HB3  SER 107           HB3      SER 107   1.789 -10.358   6.821
  648    HG   SER 107           HG       SER 107   3.817 -10.702   8.780
  649    H    TYR 108           H        TYR 108   2.482  -7.331   5.741
  650    HA   TYR 108           HA       TYR 108   5.426  -7.084   5.463
  651    HB2  TYR 108           HB2      TYR 108   4.406  -8.783   3.800
  652    HB3  TYR 108           HB3      TYR 108   3.676  -7.408   3.009
  653    HD1  TYR 108           HD1      TYR 108   6.837  -8.887   4.102
  654    HD2  TYR 108           HD2      TYR 108   5.001  -6.126   1.389
  655    HE1  TYR 108           HE1      TYR 108   8.973  -8.777   2.776
  656    HE2  TYR 108           HE2      TYR 108   7.149  -6.035   0.056
  657    HH   TYR 108           HH       TYR 108   9.343  -6.741  -0.091
  658    H    VAL 109           H        VAL 109   6.059  -5.052   4.986
  659    HA   VAL 109           HA       VAL 109   4.057  -3.055   4.156
  660    HB   VAL 109           HB       VAL 109   4.648  -1.447   5.790
  661   HG11  VAL 109          HG11      VAL 109   3.681  -2.313   7.785
  662   HG12  VAL 109          HG12      VAL 109   4.041  -3.985   7.291
  663   HG13  VAL 109          HG13      VAL 109   2.861  -3.004   6.360
  664   HG21  VAL 109          HG21      VAL 109   6.656  -3.357   6.829
  665   HG22  VAL 109          HG22      VAL 109   5.973  -2.046   7.838
  666   HG23  VAL 109          HG23      VAL 109   6.765  -1.624   6.324
  667    H    ILE 110           H        ILE 110   4.920  -1.134   3.361
  668    HA   ILE 110           HA       ILE 110   7.730  -1.318   2.365
  669    HB   ILE 110           HB       ILE 110   5.311  -1.025   0.623
  670   HG12  ILE 110          HG12      ILE 110   6.772  -3.553   1.346
  671   HG13  ILE 110          HG13      ILE 110   5.072  -3.243   1.360
  672   HG21  ILE 110          HG21      ILE 110   6.846  -1.384  -1.284
  673   HG22  ILE 110          HG22      ILE 110   8.205  -1.586  -0.167
  674   HG23  ILE 110          HG23      ILE 110   7.375  -0.024  -0.319
  675   HD11  ILE 110          HD11      ILE 110   5.431  -4.717  -0.427
  676   HD12  ILE 110          HD12      ILE 110   6.843  -3.814  -1.003
  677   HD13  ILE 110          HD13      ILE 110   5.192  -3.139  -1.200
  678    H    ASN 111           H        ASN 111   8.639   0.544   1.954
  679    HA   ASN 111           HA       ASN 111   7.192   3.035   2.736
  680    HB2  ASN 111           HB2      ASN 111  10.082   2.097   2.959
  681    HB3  ASN 111           HB3      ASN 111   9.529   3.688   3.451
  682   HD21  ASN 111          HD21      ASN 111  10.805   2.058   5.302
  683   HD22  ASN 111          HD22      ASN 111   9.575   1.703   6.529
  684    H    GLY 112           H        GLY 112   7.182   4.777   1.388
  685    HA2  GLY 112           HA2      GLY 112   8.852   4.770  -1.078
  686    HA3  GLY 112           HA3      GLY 112   7.099   4.635  -1.204
  687    HA   PRO 113           HA       PRO 113   8.539   9.030  -1.282
  688    HB2  PRO 113           HB2      PRO 113   7.538   9.822  -3.668
  689    HB3  PRO 113           HB3      PRO 113   9.038   8.872  -3.517
  690    HG2  PRO 113           HG2      PRO 113   6.263   7.795  -4.104
  691    HG3  PRO 113           HG3      PRO 113   7.767   7.496  -5.007
  692    HD2  PRO 113           HD2      PRO 113   6.821   5.806  -3.077
  693    HD3  PRO 113           HD3      PRO 113   8.579   6.077  -3.273
  694    H    GLY 114           H        GLY 114   7.467  10.573  -0.372
  695    HA2  GLY 114           HA2      GLY 114   5.197  11.903  -0.781
  696    HA3  GLY 114           HA3      GLY 114   4.555  10.536   0.131
  697    H    LYS 115           H        LYS 115   7.424  10.763   1.560
  698    HA   LYS 115           HA       LYS 115   8.307  11.523   3.469
  699    HB2  LYS 115           HB2      LYS 115   8.508  13.520   2.092
  700    HB3  LYS 115           HB3      LYS 115   6.974  14.145   2.709
  701    HG2  LYS 115           HG2      LYS 115   7.918  14.249   4.993
  702    HG3  LYS 115           HG3      LYS 115   9.442  13.588   4.393
  703    HD2  LYS 115           HD2      LYS 115   8.187  16.238   3.567
  704    HD3  LYS 115           HD3      LYS 115   9.528  16.034   4.704
  705    HE2  LYS 115           HE2      LYS 115  10.920  15.040   2.901
  706    HE3  LYS 115           HE3      LYS 115   9.594  15.258   1.752
  707    HZ1  LYS 115           HZ1      LYS 115   9.716  17.660   2.184
  708    HZ2  LYS 115           HZ2      LYS 115  11.178  17.086   1.624
  709    HZ3  LYS 115           HZ3      LYS 115  10.980  17.431   3.206
  710    H    THR 116           H        THR 116   4.817  12.251   3.429
  711    HA   THR 116           HA       THR 116   4.410  11.187   6.080
  712    HB   THR 116           HB       THR 116   5.367  13.275   6.838
  713    HG1  THR 116           HG1      THR 116   3.363  12.568   7.811
  714   HG21  THR 116          HG21      THR 116   3.459  14.660   4.912
  715   HG22  THR 116          HG22      THR 116   5.236  14.729   4.943
  716   HG23  THR 116          HG23      THR 116   4.301  15.483   6.236
  717    H    ASN 117           H        ASN 117   2.148  11.077   6.603
  718    HA   ASN 117           HA       ASN 117   0.348  11.261   4.316
  719    HB2  ASN 117           HB2      ASN 117  -0.141  10.578   7.250
  720    HB3  ASN 117           HB3      ASN 117  -1.295  10.396   5.924
  721   HD21  ASN 117          HD21      ASN 117  -0.316   9.187   3.952
  722   HD22  ASN 117          HD22      ASN 117   0.672   7.781   4.331
  723    H    GLU 118           H        GLU 118   1.218  13.390   6.947
  724    HA   GLU 118           HA       GLU 118  -1.187  14.973   7.064
  725    HB2  GLU 118           HB2      GLU 118   1.639  15.723   7.888
  726    HB3  GLU 118           HB3      GLU 118   0.153  16.454   8.466
  727    HG2  GLU 118           HG2      GLU 118   1.148  13.647   9.043
  728    HG3  GLU 118           HG3      GLU 118   1.114  15.010  10.142
  729    H    TYR 119           H        TYR 119  -0.008  14.713   4.364
  730    HA   TYR 119           HA       TYR 119   0.725  15.656   2.548
  731    HB2  TYR 119           HB2      TYR 119  -0.448  17.237   1.672
  732    HB3  TYR 119           HB3      TYR 119  -1.419  17.055   3.110
  733    HD1  TYR 119           HD1      TYR 119   1.067  19.155   1.343
  734    HD2  TYR 119           HD2      TYR 119  -1.693  18.910   4.651
  735    HE1  TYR 119           HE1      TYR 119   1.227  21.601   1.651
  736    HE2  TYR 119           HE2      TYR 119  -1.538  21.380   4.953
  737    HH   TYR 119           HH       TYR 119   0.549  23.401   2.832
  738    H    ALA 120           H        ALA 120   2.155  16.956   1.391
  739    HA   ALA 120           HA       ALA 120   4.463  18.101   2.850
  740    HB1  ALA 120           HB1      ALA 120   4.767  15.683   2.965
  741    HB2  ALA 120           HB2      ALA 120   5.913  16.353   1.791
  742    HB3  ALA 120           HB3      ALA 120   4.437  15.513   1.242
  743    H    TYR 121           H        TYR 121   3.593  19.988   1.657
  744    HA   TYR 121           HA       TYR 121   4.777  20.153  -1.047
  745    HB2  TYR 121           HB2      TYR 121   2.300  19.632  -1.257
  746    HB3  TYR 121           HB3      TYR 121   1.979  21.210  -0.555
  747    HD1  TYR 121           HD1      TYR 121   2.609  23.295  -1.813
  748    HD2  TYR 121           HD2      TYR 121   3.143  19.371  -3.511
  749    HE1  TYR 121           HE1      TYR 121   2.868  24.301  -4.085
  750    HE2  TYR 121           HE2      TYR 121   3.414  20.373  -5.769
  751    HH   TYR 121           HH       TYR 121   3.459  22.305  -7.000
  752    H1   ACE   6           H1       ACE   6  10.178  10.157  -5.120
  753    H2   ACE   6           H2       ACE   6  11.810  10.748  -5.492
  754    H3   ACE   6           H3       ACE   6  10.687  10.350  -6.809
  755    H    THR   7           H        THR   7  11.472   8.594  -3.801
  756    HA   THR   7           HA       THR   7  13.243   6.734  -5.026
  757    HB   THR   7           HB       THR   7  13.235   7.340  -2.624
  758    HG1  THR   7           HG1      THR   7  13.702   5.164  -1.986
  759   HG21  THR   7          HG21      THR   7  10.779   7.054  -2.160
  760   HG22  THR   7          HG22      THR   7  10.987   5.294  -2.341
  761   HG23  THR   7          HG23      THR   7  11.827   6.170  -1.045
  762    H    THR   8           H        THR   8  13.094   4.435  -5.111
  763    HA   THR   8           HA       THR   8  10.525   3.109  -5.087
  764    HB   THR   8           HB       THR   8  10.544   4.136  -7.324
  765    HG1  THR   8           HG1      THR   8  10.524   1.323  -7.465
  766   HG21  THR   8          HG21      THR   8  12.670   2.078  -8.007
  767   HG22  THR   8          HG22      THR   8  12.847   3.853  -8.046
  768   HG23  THR   8          HG23      THR   8  11.734   3.051  -9.159
  769    HA   PRO   9           HA       PRO   9  13.643  -0.374  -5.578
  770    HB2  PRO   9           HB2      PRO   9  16.297  -0.152  -5.588
  771    HB3  PRO   9           HB3      PRO   9  15.249   0.460  -6.912
  772    HG2  PRO   9           HG2      PRO   9  16.300   2.061  -4.544
  773    HG3  PRO   9           HG3      PRO   9  16.585   2.419  -6.282
  774    HD2  PRO   9           HD2      PRO   9  14.556   3.523  -4.886
  775    HD3  PRO   9           HD3      PRO   9  14.351   3.031  -6.610
  776    H    ASP  10           H        ASP  10  12.484   0.131  -3.483
  777    HA   ASP  10           HA       ASP  10  14.054  -1.155  -1.294
  778    HB2  ASP  10           HB2      ASP  10  13.978   1.256  -0.754
  779    HB3  ASP  10           HB3      ASP  10  12.222   1.245  -0.903
  780    H2   TYS  11           H2       TYS  11  13.143  -3.109  -1.728
  781    HA   TYS  11           HA       TYS  11  10.347  -3.247  -2.635
  782    HB2  TYS  11           HB2      TYS  11  12.833  -4.785  -3.272
  783    HB3  TYS  11           HB3      TYS  11  11.342  -5.710  -3.243
  784    HD1  TYS  11           HD1      TYS  11   9.484  -5.233  -4.655
  785    HD2  TYS  11           HD2      TYS  11  12.876  -2.601  -4.639
  786    HE1  TYS  11           HE1      TYS  11   8.512  -4.000  -6.463
  787    HE2  TYS  11           HE2      TYS  11  11.728  -1.176  -6.236
  788    H    GLY  12           H        GLY  12  10.566  -2.719  -0.355
  789    HA2  GLY  12           HA2      GLY  12   9.048  -2.944   1.381
  790    HA3  GLY  12           HA3      GLY  12   8.499  -4.433   0.599
  791    H    HIS  13           H        HIS  13   8.450  -4.550   3.359
  792    HA   HIS  13           HA       HIS  13  10.363  -6.739   3.783
  793    HB2  HIS  13           HB2      HIS  13  11.089  -5.821   5.989
  794    HB3  HIS  13           HB3      HIS  13  11.786  -4.991   4.600
  795    HD1  HIS  13           HD1      HIS  13  10.930  -2.518   4.035
  796    HD2  HIS  13           HD2      HIS  13   9.056  -4.347   7.354
  797    HE1  HIS  13           HE1      HIS  13   9.103  -0.894   4.943
  798    HE2  HIS  13           HE2      HIS  13   8.533  -1.777   7.300
  799    H2   TYS  14           H2       TYS  14   9.914  -8.046   5.565
  800    HA   TYS  14           HA       TYS  14   7.117  -7.992   6.453
  801    HB2  TYS  14           HB2      TYS  14   9.421  -9.877   7.074
  802    HB3  TYS  14           HB3      TYS  14   7.874  -9.981   7.878
  803    HD1  TYS  14           HD1      TYS  14   9.431 -10.178   4.402
  804    HD2  TYS  14           HD2      TYS  14   5.922 -10.927   6.814
  805    HE1  TYS  14           HE1      TYS  14   8.609 -11.680   2.731
  806    HE2  TYS  14           HE2      TYS  14   5.133 -12.510   5.122
  807    H    ASP  15           H        ASP  15   6.260  -7.470   8.268
  808    HA   ASP  15           HA       ASP  15   7.908  -6.245  10.432
  809    HB2  ASP  15           HB2      ASP  15   7.492  -4.377   8.999
  810    HB3  ASP  15           HB3      ASP  15   5.826  -4.878   8.698
  811    H    ASP  16           H        ASP  16   6.769  -5.882  12.370
  812    HA   ASP  16           HA       ASP  16   3.973  -6.757  12.573
  813    HB2  ASP  16           HB2      ASP  16   6.264  -8.154  13.922
  814    HB3  ASP  16           HB3      ASP  16   4.873  -7.828  14.936
  815    H    LYS  17           H        LYS  17   6.109  -4.297  13.135
  816    HA   LYS  17           HA       LYS  17   4.737  -3.365  15.646
  817    HB2  LYS  17           HB2      LYS  17   6.738  -2.219  16.262
  818    HB3  LYS  17           HB3      LYS  17   7.114  -3.923  15.974
  819    HG2  LYS  17           HG2      LYS  17   8.071  -3.347  13.770
  820    HG3  LYS  17           HG3      LYS  17   7.654  -1.637  14.011
  821    HD2  LYS  17           HD2      LYS  17   9.137  -1.603  16.017
  822    HD3  LYS  17           HD3      LYS  17   9.598  -3.286  15.654
  823    HE2  LYS  17           HE2      LYS  17  10.377  -2.519  13.396
  824    HE3  LYS  17           HE3      LYS  17  10.004  -0.850  13.855
  825    HZ1  LYS  17           HZ1      LYS  17  11.950  -2.608  15.249
  826    HZ2  LYS  17           HZ2      LYS  17  11.621  -1.040  15.630
  827    HZ3  LYS  17           HZ3      LYS  17  12.348  -1.404  14.196
  828    H    ASP  18           H        ASP  18   5.565  -2.486  12.376
  829    HA   ASP  18           HA       ASP  18   4.488   0.277  12.760
  830    HB2  ASP  18           HB2      ASP  18   5.935  -1.067  10.456
  831    HB3  ASP  18           HB3      ASP  18   5.283   0.563  10.406
  832    H    THR  19           H        THR  19   3.544  -2.801  11.627
  833    HA   THR  19           HA       THR  19   1.720  -2.728   9.817
  834    HB   THR  19           HB       THR  19   2.011  -4.769  11.139
  835    HG1  THR  19           HG1      THR  19   0.337  -4.761   9.946
  836   HG21  THR  19          HG21      THR  19   0.359  -3.521  13.322
  837   HG22  THR  19          HG22      THR  19   2.115  -3.785  13.408
  838   HG23  THR  19          HG23      THR  19   1.042  -5.173  13.242
  839    H    LEU  20           H        LEU  20  -0.427  -2.411   9.328
  840    HA   LEU  20           HA       LEU  20  -1.954  -0.442  10.940
  841    HB2  LEU  20           HB2      LEU  20  -1.617   0.155   8.543
  842    HB3  LEU  20           HB3      LEU  20  -2.220  -1.442   8.072
  843    HG   LEU  20           HG       LEU  20  -4.436  -0.871   9.011
  844   HD11  LEU  20          HD11      LEU  20  -3.203   1.883   9.452
  845   HD12  LEU  20          HD12      LEU  20  -3.843   0.800  10.710
  846   HD13  LEU  20          HD13      LEU  20  -4.941   1.511   9.524
  847   HD21  LEU  20          HD21      LEU  20  -3.886  -0.527   6.647
  848   HD22  LEU  20          HD22      LEU  20  -3.262   1.099   6.998
  849   HD23  LEU  20          HD23      LEU  20  -4.993   0.744   7.216
  850    H    ASP  21           H        ASP  21  -3.439  -1.349  12.208
  851    HA   ASP  21           HA       ASP  21  -4.598  -4.011  11.644
  852    HB2  ASP  21           HB2      ASP  21  -5.975  -3.002  13.803
  853    HB3  ASP  21           HB3      ASP  21  -4.735  -4.197  13.807
  854    H    LEU  22           H        LEU  22  -6.111  -4.103  10.261
  855    HA   LEU  22           HA       LEU  22  -7.934  -1.883   9.523
  856    HB2  LEU  22           HB2      LEU  22  -7.395  -4.715   8.677
  857    HB3  LEU  22           HB3      LEU  22  -9.010  -4.073   8.371
  858    HG   LEU  22           HG       LEU  22  -8.223  -2.447   6.859
  859   HD11  LEU  22          HD11      LEU  22  -6.338  -1.456   7.889
  860   HD12  LEU  22          HD12      LEU  22  -5.690  -2.233   6.436
  861   HD13  LEU  22          HD13      LEU  22  -5.474  -3.007   8.011
  862   HD21  LEU  22          HD21      LEU  22  -8.183  -4.818   6.089
  863   HD22  LEU  22          HD22      LEU  22  -6.455  -4.904   6.522
  864   HD23  LEU  22          HD23      LEU  22  -7.000  -3.812   5.234
  865    H    ASN  23           H        ASN  23  -7.820  -4.472  11.838
  866    HA   ASN  23           HA       ASN  23 -10.339  -3.679  13.052
  867    HB2  ASN  23           HB2      ASN  23  -9.752  -6.612  12.441
  868    HB3  ASN  23           HB3      ASN  23 -11.152  -5.956  13.264
  869   HD21  ASN  23          HD21      ASN  23  -9.480  -5.876  10.144
  870   HD22  ASN  23          HD22      ASN  23 -10.934  -5.884   9.149
  871    H    THR  24           H        THR  24 -10.213  -4.189  15.268
  872    HA   THR  24           HA       THR  24  -7.701  -5.328  16.389
  873    HB   THR  24           HB       THR  24  -7.184  -3.079  15.764
  874    HG1  THR  24           HG1      THR  24  -7.480  -3.524  18.501
  875   HG21  THR  24          HG21      THR  24  -8.308  -1.131  16.865
  876   HG22  THR  24          HG22      THR  24  -9.347  -2.011  15.735
  877   HG23  THR  24          HG23      THR  24  -9.552  -2.255  17.475
  878    HA   PRO  25           HA       PRO  25 -11.267  -5.426  19.625
  879    HB2  PRO  25           HB2      PRO  25 -12.783  -7.593  19.095
  880    HB3  PRO  25           HB3      PRO  25 -13.079  -6.031  18.282
  881    HG2  PRO  25           HG2      PRO  25 -11.533  -8.416  17.208
  882    HG3  PRO  25           HG3      PRO  25 -12.815  -7.438  16.398
  883    HD2  PRO  25           HD2      PRO  25 -10.154  -6.943  15.995
  884    HD3  PRO  25           HD3      PRO  25 -11.427  -5.693  15.987
  885    H    VAL  26           H        VAL  26 -11.501  -7.003  21.333
  886    HA   VAL  26           HA       VAL  26  -9.966  -9.507  21.291
  887    HB   VAL  26           HB       VAL  26  -8.370  -7.645  22.026
  888   HG11  VAL  26          HG11      VAL  26  -8.428  -6.892  24.323
  889   HG12  VAL  26          HG12      VAL  26  -9.926  -7.787  24.640
  890   HG13  VAL  26          HG13      VAL  26  -9.927  -6.405  23.528
  891   HG21  VAL  26          HG21      VAL  26  -7.926 -10.021  22.435
  892   HG22  VAL  26          HG22      VAL  26  -8.773  -9.918  24.000
  893   HG23  VAL  26          HG23      VAL  26  -7.300  -8.981  23.720
  894    H    ASP  27           H        ASP  27 -10.478 -10.962  22.889
  895    HA   ASP  27           HA       ASP  27 -12.696 -10.322  24.750
  896    HB2  ASP  27           HB2      ASP  27 -12.710 -12.434  22.569
  897    HB3  ASP  27           HB3      ASP  27 -13.529 -12.749  24.094
  898    H    LYS  28           H        LYS  28 -12.855 -11.705  26.475
  899    HA   LYS  28           HA       LYS  28 -10.677 -13.635  27.078
  900    HB2  LYS  28           HB2      LYS  28 -10.041 -11.207  27.799
  901    HB3  LYS  28           HB3      LYS  28 -11.272 -11.397  29.050
  902    HG2  LYS  28           HG2      LYS  28 -10.011 -13.611  29.634
  903    HG3  LYS  28           HG3      LYS  28  -8.705 -12.972  28.640
  904    HD2  LYS  28           HD2      LYS  28  -9.895 -11.700  31.147
  905    HD3  LYS  28           HD3      LYS  28  -8.353 -12.548  31.013
  906    HE2  LYS  28           HE2      LYS  28  -7.556 -10.790  29.411
  907    HE3  LYS  28           HE3      LYS  28  -9.055  -9.890  29.699
  908    HZ1  LYS  28           HZ1      LYS  28  -8.423  -9.831  32.092
  909    HZ2  LYS  28           HZ2      LYS  28  -7.285  -9.097  31.175
  910    HZ3  LYS  28           HZ3      LYS  28  -7.027 -10.607  31.757
  911    HN1  NH2  29           HN1      NH2  29 -11.523 -15.422  28.018
  912    HN2  NH2  29           HN2      NH2  29 -13.023 -15.452  28.921
  Start of MODEL    6
    1    H1   ASN  31           H1       ASN  31   6.822  17.675 -17.205
    2    H2   ASN  31           H2       ASN  31   7.127  17.664 -18.821
    3    H3   ASN  31           H3       ASN  31   8.125  18.485 -17.821
    4    HA   ASN  31           HA       ASN  31   9.264  16.545 -18.396
    5    HB2  ASN  31           HB2      ASN  31   8.101  16.346 -15.577
    6    HB3  ASN  31           HB3      ASN  31   9.432  15.380 -16.149
    7   HD21  ASN  31          HD21      ASN  31  10.843  16.265 -14.535
    8   HD22  ASN  31          HD22      ASN  31  11.459  17.908 -14.726
    9    H    SER  32           H        SER  32   9.340  14.076 -18.000
   10    HA   SER  32           HA       SER  32   7.662  12.967 -19.888
   11    HB2  SER  32           HB2      SER  32   9.867  12.119 -19.200
   12    HB3  SER  32           HB3      SER  32   9.169  11.521 -17.682
   13    HG   SER  32           HG       SER  32   9.112  10.461 -20.207
   14    H    GLY  33           H        GLY  33   7.041  12.865 -16.369
   15    HA2  GLY  33           HA2      GLY  33   4.538  12.951 -16.027
   16    HA3  GLY  33           HA3      GLY  33   4.466  11.404 -16.857
   17    H    LEU  34           H        LEU  34   3.430  11.765 -14.352
   18    HA   LEU  34           HA       LEU  34   4.849   9.665 -12.818
   19    HB2  LEU  34           HB2      LEU  34   3.985  12.411 -11.780
   20    HB3  LEU  34           HB3      LEU  34   4.167  11.041 -10.704
   21    HG   LEU  34           HG       LEU  34   6.420  12.243 -12.366
   22   HD11  LEU  34          HD11      LEU  34   5.797  12.390  -9.388
   23   HD12  LEU  34          HD12      LEU  34   5.643  13.717 -10.557
   24   HD13  LEU  34          HD13      LEU  34   7.239  13.051 -10.190
   25   HD21  LEU  34          HD21      LEU  34   6.416  10.043 -10.241
   26   HD22  LEU  34          HD22      LEU  34   7.867  10.841 -10.876
   27   HD23  LEU  34          HD23      LEU  34   6.869   9.869 -11.954
   28    HA   PRO  35           HA       PRO  35   0.706   8.225 -12.620
   29    HB2  PRO  35           HB2      PRO  35   0.586   6.667 -10.399
   30    HB3  PRO  35           HB3      PRO  35   1.580   6.242 -11.831
   31    HG2  PRO  35           HG2      PRO  35   2.526   7.573  -9.279
   32    HG3  PRO  35           HG3      PRO  35   3.263   6.191 -10.149
   33    HD2  PRO  35           HD2      PRO  35   4.135   8.767 -10.470
   34    HD3  PRO  35           HD3      PRO  35   4.151   7.605 -11.822
   35    H    THR  36           H        THR  36  -1.186   9.043 -12.058
   36    HA   THR  36           HA       THR  36  -1.664  10.206  -9.348
   37    HB   THR  36           HB       THR  36  -1.123  11.962 -11.006
   38    HG1  THR  36           HG1      THR  36  -2.655  13.308 -10.379
   39   HG21  THR  36          HG21      THR  36  -3.793  11.227 -12.281
   40   HG22  THR  36          HG22      THR  36  -2.193  11.046 -13.032
   41   HG23  THR  36          HG23      THR  36  -2.812  12.657 -12.652
   42    H    THR  37           H        THR  37  -2.372   7.733 -11.202
   43    HA   THR  37           HA       THR  37  -5.103   7.494 -10.117
   44    HB   THR  37           HB       THR  37  -5.682   6.053 -12.104
   45    HG1  THR  37           HG1      THR  37  -4.420   6.013 -13.814
   46   HG21  THR  37          HG21      THR  37  -6.504   8.398 -11.800
   47   HG22  THR  37          HG22      THR  37  -6.389   7.873 -13.486
   48   HG23  THR  37          HG23      THR  37  -5.149   8.956 -12.808
   49    H    LEU  38           H        LEU  38  -5.605   5.597  -9.218
   50    HA   LEU  38           HA       LEU  38  -3.594   4.213  -7.930
   51    HB2  LEU  38           HB2      LEU  38  -6.220   4.438  -7.653
   52    HB3  LEU  38           HB3      LEU  38  -6.237   2.863  -8.447
   53    HG   LEU  38           HG       LEU  38  -4.951   3.663  -5.824
   54   HD11  LEU  38          HD11      LEU  38  -6.613   2.097  -4.853
   55   HD12  LEU  38          HD12      LEU  38  -7.262   1.788  -6.477
   56   HD13  LEU  38          HD13      LEU  38  -7.387   3.406  -5.755
   57   HD21  LEU  38          HD21      LEU  38  -4.527   1.199  -5.473
   58   HD22  LEU  38          HD22      LEU  38  -3.501   1.929  -6.698
   59   HD23  LEU  38          HD23      LEU  38  -4.899   0.938  -7.189
   60    H    GLY  39           H        GLY  39  -5.175   3.189 -10.973
   61    HA2  GLY  39           HA2      GLY  39  -4.287   0.541 -11.170
   62    HA3  GLY  39           HA3      GLY  39  -4.587   1.616 -12.543
   63    H    LYS  40           H        LYS  40  -2.369   3.460 -11.897
   64    HA   LYS  40           HA       LYS  40  -0.156   1.929 -13.112
   65    HB2  LYS  40           HB2      LYS  40  -0.367   4.831 -12.213
   66    HB3  LYS  40           HB3      LYS  40   1.048   4.104 -12.996
   67    HG2  LYS  40           HG2      LYS  40  -0.512   3.458 -14.931
   68    HG3  LYS  40           HG3      LYS  40  -1.713   4.535 -14.192
   69    HD2  LYS  40           HD2      LYS  40  -0.064   6.423 -14.360
   70    HD3  LYS  40           HD3      LYS  40   1.088   5.313 -15.129
   71    HE2  LYS  40           HE2      LYS  40  -0.581   4.869 -16.932
   72    HE3  LYS  40           HE3      LYS  40  -1.672   6.054 -16.212
   73    HZ1  LYS  40           HZ1      LYS  40  -0.175   7.778 -16.716
   74    HZ2  LYS  40           HZ2      LYS  40  -0.235   6.876 -18.077
   75    HZ3  LYS  40           HZ3      LYS  40   1.079   6.760 -17.091
   76    H    LEU  41           H        LEU  41  -1.032   3.029  -9.900
   77    HA   LEU  41           HA       LEU  41   1.606   2.517  -8.721
   78    HB2  LEU  41           HB2      LEU  41  -0.193   4.223  -7.912
   79    HB3  LEU  41           HB3      LEU  41  -1.060   2.822  -7.290
   80    HG   LEU  41           HG       LEU  41   1.232   2.244  -6.095
   81   HD11  LEU  41          HD11      LEU  41   2.531   4.238  -5.515
   82   HD12  LEU  41          HD12      LEU  41   1.532   5.242  -6.582
   83   HD13  LEU  41          HD13      LEU  41   2.583   3.971  -7.260
   84   HD21  LEU  41          HD21      LEU  41  -0.439   4.615  -5.182
   85   HD22  LEU  41          HD22      LEU  41   0.611   3.587  -4.164
   86   HD23  LEU  41          HD23      LEU  41  -0.823   2.896  -4.932
   87    H    ASP  42           H        ASP  42  -1.593   0.901  -8.778
   88    HA   ASP  42           HA       ASP  42  -1.069  -1.373  -7.199
   89    HB2  ASP  42           HB2      ASP  42  -3.299  -0.839  -7.999
   90    HB3  ASP  42           HB3      ASP  42  -2.800  -1.042  -9.680
   91    H    GLU  43           H        GLU  43  -0.459  -0.930 -10.693
   92    HA   GLU  43           HA       GLU  43   0.592  -3.451 -11.286
   93    HB2  GLU  43           HB2      GLU  43   0.049  -1.694 -12.914
   94    HB3  GLU  43           HB3      GLU  43   1.419  -0.726 -12.364
   95    HG2  GLU  43           HG2      GLU  43   2.993  -2.451 -13.152
   96    HG3  GLU  43           HG3      GLU  43   1.638  -3.511 -13.581
   97    H    ARG  44           H        ARG  44   2.316  -0.735  -9.686
   98    HA   ARG  44           HA       ARG  44   4.863  -2.211  -9.670
   99    HB2  ARG  44           HB2      ARG  44   4.396   0.425  -9.496
  100    HB3  ARG  44           HB3      ARG  44   4.323   0.072  -7.770
  101    HG2  ARG  44           HG2      ARG  44   6.574  -1.115  -8.001
  102    HG3  ARG  44           HG3      ARG  44   6.622  -0.590  -9.680
  103    HD2  ARG  44           HD2      ARG  44   6.588   1.196  -7.225
  104    HD3  ARG  44           HD3      ARG  44   7.974   0.884  -8.288
  105    HE   ARG  44           HE       ARG  44   6.000   1.881  -9.972
  106   HH11  ARG  44          HH11      ARG  44   7.871   3.200  -7.244
  107   HH12  ARG  44          HH12      ARG  44   7.370   4.839  -7.667
  108   HH21  ARG  44          HH21      ARG  44   5.274   3.992 -10.181
  109   HH22  ARG  44          HH22      ARG  44   6.071   5.259  -9.256
  110    H    LEU  45           H        LEU  45   2.279  -1.490  -7.304
  111    HA   LEU  45           HA       LEU  45   3.530  -2.731  -5.056
  112    HB2  LEU  45           HB2      LEU  45   0.626  -2.143  -5.717
  113    HB3  LEU  45           HB3      LEU  45   1.169  -2.698  -4.141
  114    HG   LEU  45           HG       LEU  45   2.127  -0.111  -5.450
  115   HD11  LEU  45          HD11      LEU  45   0.664   0.953  -3.727
  116   HD12  LEU  45          HD12      LEU  45   0.019  -0.654  -3.331
  117   HD13  LEU  45          HD13      LEU  45  -0.238   0.030  -4.947
  118   HD21  LEU  45          HD21      LEU  45   2.879   0.411  -3.122
  119   HD22  LEU  45          HD22      LEU  45   3.788  -0.899  -3.876
  120   HD23  LEU  45          HD23      LEU  45   2.536  -1.264  -2.664
  121    H    ARG  46           H        ARG  46   1.262  -4.069  -7.414
  122    HA   ARG  46           HA       ARG  46   0.878  -6.661  -6.220
  123    HB2  ARG  46           HB2      ARG  46  -0.557  -5.368  -7.834
  124    HB3  ARG  46           HB3      ARG  46   0.606  -5.717  -9.113
  125    HG2  ARG  46           HG2      ARG  46   0.111  -8.117  -8.929
  126    HG3  ARG  46           HG3      ARG  46  -0.960  -7.823  -7.545
  127    HD2  ARG  46           HD2      ARG  46  -1.348  -6.570 -10.303
  128    HD3  ARG  46           HD3      ARG  46  -2.128  -8.055  -9.806
  129    HE   ARG  46           HE       ARG  46  -2.733  -5.292  -8.935
  130   HH11  ARG  46          HH11      ARG  46  -3.630  -8.682  -8.527
  131   HH12  ARG  46          HH12      ARG  46  -5.094  -8.220  -7.671
  132   HH21  ARG  46          HH21      ARG  46  -4.343  -4.896  -7.524
  133   HH22  ARG  46          HH22      ARG  46  -5.349  -6.217  -6.890
  134    H    ASN  47           H        ASN  47   3.220  -5.382  -8.559
  135    HA   ASN  47           HA       ASN  47   4.702  -7.907  -8.804
  136    HB2  ASN  47           HB2      ASN  47   5.210  -5.042  -9.639
  137    HB3  ASN  47           HB3      ASN  47   6.470  -6.258  -9.695
  138   HD21  ASN  47          HD21      ASN  47   3.907  -4.932 -11.474
  139   HD22  ASN  47          HD22      ASN  47   3.866  -6.157 -12.728
  140    H    TYR  48           H        TYR  48   5.107  -4.998  -6.739
  141    HA   TYR  48           HA       TYR  48   7.438  -5.744  -5.475
  142    HB2  TYR  48           HB2      TYR  48   5.153  -4.009  -4.865
  143    HB3  TYR  48           HB3      TYR  48   5.854  -4.635  -3.438
  144    HD1  TYR  48           HD1      TYR  48   8.217  -4.080  -2.868
  145    HD2  TYR  48           HD2      TYR  48   5.973  -2.048  -5.902
  146    HE1  TYR  48           HE1      TYR  48   9.611  -2.031  -2.540
  147    HE2  TYR  48           HE2      TYR  48   7.371  -0.011  -5.577
  148    HH   TYR  48           HH       TYR  48   9.909   0.121  -3.064
  149    H    LEU  49           H        LEU  49   4.239  -7.007  -4.701
  150    HA   LEU  49           HA       LEU  49   5.155  -8.365  -2.358
  151    HB2  LEU  49           HB2      LEU  49   2.693  -8.021  -3.802
  152    HB3  LEU  49           HB3      LEU  49   2.948  -9.752  -3.729
  153    HG   LEU  49           HG       LEU  49   2.879  -7.821  -1.386
  154   HD11  LEU  49          HD11      LEU  49   1.000 -10.054  -2.255
  155   HD12  LEU  49          HD12      LEU  49   0.704  -8.305  -2.431
  156   HD13  LEU  49          HD13      LEU  49   0.807  -9.032  -0.810
  157   HD21  LEU  49          HD21      LEU  49   2.886  -9.786   0.084
  158   HD22  LEU  49          HD22      LEU  49   4.374  -9.591  -0.812
  159   HD23  LEU  49          HD23      LEU  49   3.212 -10.833  -1.326
  160    H    LYS  50           H        LYS  50   4.959  -9.529  -5.715
  161    HA   LYS  50           HA       LYS  50   5.969 -12.197  -5.117
  162    HB2  LYS  50           HB2      LYS  50   6.186 -10.633  -7.709
  163    HB3  LYS  50           HB3      LYS  50   6.372 -12.374  -7.471
  164    HG2  LYS  50           HG2      LYS  50   4.027 -12.657  -6.968
  165    HG3  LYS  50           HG3      LYS  50   3.746 -10.912  -6.964
  166    HD2  LYS  50           HD2      LYS  50   4.620 -12.531  -9.401
  167    HD3  LYS  50           HD3      LYS  50   2.965 -12.003  -9.053
  168    HE2  LYS  50           HE2      LYS  50   3.701  -9.634  -9.095
  169    HE3  LYS  50           HE3      LYS  50   5.358 -10.143  -9.467
  170    HZ1  LYS  50           HZ1      LYS  50   4.447 -11.155 -11.537
  171    HZ2  LYS  50           HZ2      LYS  50   4.247  -9.508 -11.450
  172    HZ3  LYS  50           HZ3      LYS  50   2.978 -10.512 -11.183
  173    H    LYS  51           H        LYS  51   7.468  -9.214  -6.381
  174    HA   LYS  51           HA       LYS  51  10.120 -10.145  -6.534
  175    HB2  LYS  51           HB2      LYS  51   8.981  -8.390  -7.854
  176    HB3  LYS  51           HB3      LYS  51   9.113  -7.307  -6.466
  177    HG2  LYS  51           HG2      LYS  51  11.528  -7.415  -6.556
  178    HG3  LYS  51           HG3      LYS  51  11.477  -8.782  -7.667
  179    HD2  LYS  51           HD2      LYS  51  10.579  -7.418  -9.455
  180    HD3  LYS  51           HD3      LYS  51  10.501  -6.027  -8.372
  181    HE2  LYS  51           HE2      LYS  51  12.972  -6.095  -8.101
  182    HE3  LYS  51           HE3      LYS  51  13.047  -7.516  -9.151
  183    HZ1  LYS  51           HZ1      LYS  51  12.137  -4.805  -9.983
  184    HZ2  LYS  51           HZ2      LYS  51  13.557  -5.517 -10.413
  185    HZ3  LYS  51           HZ3      LYS  51  12.125  -6.121 -10.951
  186    H    GLY  52           H        GLY  52   8.419  -8.912  -3.706
  187    HA2  GLY  52           HA2      GLY  52  11.056  -8.497  -2.360
  188    HA3  GLY  52           HA3      GLY  52   9.554  -7.698  -2.006
  189    H    THR  53           H        THR  53   8.274 -10.676  -2.067
  190    HA   THR  53           HA       THR  53   9.068 -11.353   0.710
  191    HB   THR  53           HB       THR  53   7.082 -12.637   0.811
  192    HG1  THR  53           HG1      THR  53   6.334 -11.700  -1.774
  193   HG21  THR  53          HG21      THR  53   5.393 -10.954   0.652
  194   HG22  THR  53          HG22      THR  53   6.438  -9.955  -0.413
  195   HG23  THR  53          HG23      THR  53   6.876 -10.236   1.265
  196    H    LYS  54           H        LYS  54   9.094 -13.704   1.316
  197    HA   LYS  54           HA       LYS  54  10.644 -15.323  -0.548
  198    HB2  LYS  54           HB2      LYS  54   9.393 -16.040   2.135
  199    HB3  LYS  54           HB3      LYS  54  10.500 -17.063   1.227
  200    HG2  LYS  54           HG2      LYS  54  12.323 -15.501   1.463
  201    HG3  LYS  54           HG3      LYS  54  11.264 -14.250   2.119
  202    HD2  LYS  54           HD2      LYS  54  10.806 -15.671   4.109
  203    HD3  LYS  54           HD3      LYS  54  11.976 -16.869   3.495
  204    HE2  LYS  54           HE2      LYS  54  13.755 -15.151   3.514
  205    HE3  LYS  54           HE3      LYS  54  12.587 -13.923   4.033
  206    HZ1  LYS  54           HZ1      LYS  54  13.345 -16.320   5.609
  207    HZ2  LYS  54           HZ2      LYS  54  12.290 -15.170   6.105
  208    HZ3  LYS  54           HZ3      LYS  54  13.893 -14.805   5.883
  209    H    ASN  55           H        ASN  55   7.273 -15.341   0.651
  210    HA   ASN  55           HA       ASN  55   6.406 -16.634  -1.817
  211    HB2  ASN  55           HB2      ASN  55   4.840 -18.026  -0.227
  212    HB3  ASN  55           HB3      ASN  55   6.460 -18.636  -0.598
  213   HD21  ASN  55          HD21      ASN  55   4.145 -18.255   1.674
  214   HD22  ASN  55          HD22      ASN  55   5.142 -18.224   3.115
  215    H    SER  56           H        SER  56   5.370 -14.934  -2.566
  216    HA   SER  56           HA       SER  56   3.561 -13.192  -1.223
  217    HB2  SER  56           HB2      SER  56   4.681 -12.759  -3.373
  218    HB3  SER  56           HB3      SER  56   3.700 -14.011  -4.152
  219    HG   SER  56           HG       SER  56   2.212 -12.553  -4.383
  220    H    ALA  57           H        ALA  57   3.053 -16.463  -2.446
  221    HA   ALA  57           HA       ALA  57   0.404 -16.384  -3.178
  222    HB1  ALA  57           HB1      ALA  57   0.454 -18.835  -2.886
  223    HB2  ALA  57           HB2      ALA  57   1.907 -18.689  -1.873
  224    HB3  ALA  57           HB3      ALA  57   1.964 -18.246  -3.596
  225    H    GLN  58           H        GLN  58   1.398 -16.146   0.137
  226    HA   GLN  58           HA       GLN  58  -1.102 -17.151   1.288
  227    HB2  GLN  58           HB2      GLN  58  -0.070 -16.491   3.407
  228    HB3  GLN  58           HB3      GLN  58   0.994 -17.514   2.448
  229    HG2  GLN  58           HG2      GLN  58   2.231 -15.424   1.703
  230    HG3  GLN  58           HG3      GLN  58   1.242 -14.489   2.790
  231   HE21  GLN  58          HE21      GLN  58   4.314 -15.488   2.630
  232   HE22  GLN  58          HE22      GLN  58   4.537 -15.993   4.287
  233    H    PHE  59           H        PHE  59  -0.042 -14.130  -0.033
  234    HA   PHE  59           HA       PHE  59  -1.666 -12.429   1.689
  235    HB2  PHE  59           HB2      PHE  59   0.030 -11.895  -0.741
  236    HB3  PHE  59           HB3      PHE  59  -0.925 -10.664   0.074
  237    HD1  PHE  59           HD1      PHE  59   2.035 -12.907   0.461
  238    HD2  PHE  59           HD2      PHE  59  -0.394  -9.881   2.308
  239    HE1  PHE  59           HE1      PHE  59   3.752 -12.608   2.213
  240    HE2  PHE  59           HE2      PHE  59   1.311  -9.594   4.088
  241    HZ   PHE  59           HZ       PHE  59   3.391 -10.958   4.035
  242    H    GLU  60           H        GLU  60  -3.379 -11.095   1.067
  243    HA   GLU  60           HA       GLU  60  -5.170 -12.230  -1.068
  244    HB2  GLU  60           HB2      GLU  60  -5.615 -13.399   0.976
  245    HB3  GLU  60           HB3      GLU  60  -5.687 -11.899   1.912
  246    HG2  GLU  60           HG2      GLU  60  -7.749 -11.241   0.901
  247    HG3  GLU  60           HG3      GLU  60  -7.615 -12.480  -0.359
  248    H    LYS  61           H        LYS  61  -4.350  -9.418   0.974
  249    HA   LYS  61           HA       LYS  61  -5.355  -7.721  -1.169
  250    HB2  LYS  61           HB2      LYS  61  -6.900  -6.403   0.065
  251    HB3  LYS  61           HB3      LYS  61  -7.387  -8.079   0.239
  252    HG2  LYS  61           HG2      LYS  61  -6.496  -8.160   2.520
  253    HG3  LYS  61           HG3      LYS  61  -5.813  -6.533   2.358
  254    HD2  LYS  61           HD2      LYS  61  -7.907  -5.497   2.241
  255    HD3  LYS  61           HD3      LYS  61  -8.769  -6.999   1.901
  256    HE2  LYS  61           HE2      LYS  61  -7.218  -6.544   4.478
  257    HE3  LYS  61           HE3      LYS  61  -8.892  -6.022   4.284
  258    HZ1  LYS  61           HZ1      LYS  61  -7.950  -8.845   4.135
  259    HZ2  LYS  61           HZ2      LYS  61  -9.493  -8.337   3.800
  260    HZ3  LYS  61           HZ3      LYS  61  -8.883  -8.149   5.291
  261    H    MET  62           H        MET  62  -5.120  -5.380  -0.541
  262    HA   MET  62           HA       MET  62  -2.878  -4.776   1.272
  263    HB2  MET  62           HB2      MET  62  -1.532  -3.685  -0.381
  264    HB3  MET  62           HB3      MET  62  -1.863  -5.337  -0.918
  265    HG2  MET  62           HG2      MET  62  -3.591  -4.515  -2.466
  266    HG3  MET  62           HG3      MET  62  -3.280  -2.852  -1.943
  267    HE1  MET  62           HE1      MET  62  -3.253  -3.844  -4.986
  268    HE2  MET  62           HE2      MET  62  -1.837  -2.972  -5.600
  269    HE3  MET  62           HE3      MET  62  -2.969  -2.155  -4.498
  270    H    VAL  63           H        VAL  63  -2.635  -2.557   1.778
  271    HA   VAL  63           HA       VAL  63  -4.812  -0.707   0.989
  272    HB   VAL  63           HB       VAL  63  -4.088  -1.312   3.891
  273   HG11  VAL  63          HG11      VAL  63  -4.578   1.097   3.605
  274   HG12  VAL  63          HG12      VAL  63  -5.888   0.279   4.455
  275   HG13  VAL  63          HG13      VAL  63  -6.088   0.690   2.753
  276   HG21  VAL  63          HG21      VAL  63  -6.561  -1.861   2.215
  277   HG22  VAL  63          HG22      VAL  63  -6.589  -1.861   3.977
  278   HG23  VAL  63          HG23      VAL  63  -5.578  -3.029   3.113
  279    H    ILE  64           H        ILE  64  -4.188   1.383   0.860
  280    HA   ILE  64           HA       ILE  64  -1.228   1.892   0.964
  281    HB   ILE  64           HB       ILE  64  -3.319   2.809  -1.040
  282   HG12  ILE  64          HG12      ILE  64  -1.077   0.915  -1.766
  283   HG13  ILE  64          HG13      ILE  64  -2.558   0.257  -1.091
  284   HG21  ILE  64          HG21      ILE  64  -0.284   3.137  -1.050
  285   HG22  ILE  64          HG22      ILE  64  -1.486   4.433  -0.861
  286   HG23  ILE  64          HG23      ILE  64  -1.354   3.578  -2.391
  287   HD11  ILE  64          HD11      ILE  64  -3.907   1.262  -2.861
  288   HD12  ILE  64          HD12      ILE  64  -2.647   0.200  -3.516
  289   HD13  ILE  64          HD13      ILE  64  -2.451   1.960  -3.600
  290    H    LEU  65           H        LEU  65  -0.557   3.800   1.837
  291    HA   LEU  65           HA       LEU  65  -2.587   5.838   2.675
  292    HB2  LEU  65           HB2      LEU  65  -0.114   4.863   4.168
  293    HB3  LEU  65           HB3      LEU  65  -1.060   6.269   4.616
  294    HG   LEU  65           HG       LEU  65  -1.919   3.348   4.701
  295   HD11  LEU  65          HD11      LEU  65  -2.083   3.680   7.081
  296   HD12  LEU  65          HD12      LEU  65  -1.824   5.431   6.926
  297   HD13  LEU  65          HD13      LEU  65  -0.503   4.302   6.596
  298   HD21  LEU  65          HD21      LEU  65  -3.627   5.810   5.269
  299   HD22  LEU  65          HD22      LEU  65  -4.030   4.137   5.727
  300   HD23  LEU  65          HD23      LEU  65  -3.913   4.574   4.024
  301    H    THR  66           H        THR  66  -2.177   7.871   2.051
  302    HA   THR  66           HA       THR  66   0.431   8.396   0.672
  303    HB   THR  66           HB       THR  66  -0.792   9.692  -0.956
  304    HG1  THR  66           HG1      THR  66  -2.463  10.486   0.221
  305   HG21  THR  66          HG21      THR  66  -0.609   7.240  -1.357
  306   HG22  THR  66          HG22      THR  66  -2.027   7.987  -2.120
  307   HG23  THR  66          HG23      THR  66  -2.227   7.033  -0.635
  308    H    GLU  67           H        GLU  67   0.797  10.756   0.155
  309    HA   GLU  67           HA       GLU  67   0.669  12.537   2.383
  310    HB2  GLU  67           HB2      GLU  67   0.433  13.381  -0.503
  311    HB3  GLU  67           HB3      GLU  67   1.072  14.316   0.808
  312    HG2  GLU  67           HG2      GLU  67   3.022  12.772   0.947
  313    HG3  GLU  67           HG3      GLU  67   2.385  11.866  -0.428
  314    H    ASN  68           H        ASN  68  -0.745  14.536   2.443
  315    HA   ASN  68           HA       ASN  68  -2.818  15.497   2.665
  316    HB2  ASN  68           HB2      ASN  68  -3.245  14.335  -0.108
  317    HB3  ASN  68           HB3      ASN  68  -4.101  15.704   0.560
  318   HD21  ASN  68          HD21      ASN  68  -1.704  15.028  -1.578
  319   HD22  ASN  68          HD22      ASN  68  -0.601  16.375  -1.233
  320    H    LYS  69           H        LYS  69  -2.525  12.916   3.769
  321    HA   LYS  69           HA       LYS  69  -3.613  11.395   5.007
  322    HB2  LYS  69           HB2      LYS  69  -5.965  13.290   4.761
  323    HB3  LYS  69           HB3      LYS  69  -5.679  12.103   6.033
  324    HG2  LYS  69           HG2      LYS  69  -3.489  13.306   6.544
  325    HG3  LYS  69           HG3      LYS  69  -4.025  14.603   5.467
  326    HD2  LYS  69           HD2      LYS  69  -5.359  13.643   8.012
  327    HD3  LYS  69           HD3      LYS  69  -4.475  15.149   7.806
  328    HE2  LYS  69           HE2      LYS  69  -7.058  14.433   6.343
  329    HE3  LYS  69           HE3      LYS  69  -6.971  15.385   7.822
  330    HZ1  LYS  69           HZ1      LYS  69  -5.561  16.992   6.600
  331    HZ2  LYS  69           HZ2      LYS  69  -7.082  16.869   5.987
  332    HZ3  LYS  69           HZ3      LYS  69  -5.833  16.182   5.195
  333    H    GLY  70           H        GLY  70  -4.139  11.115   1.903
  334    HA2  GLY  70           HA2      GLY  70  -6.613   9.747   1.650
  335    HA3  GLY  70           HA3      GLY  70  -5.244   9.583   0.561
  336    H    TYR  71           H        TYR  71  -7.228   7.663   1.557
  337    HA   TYR  71           HA       TYR  71  -5.433   5.416   2.354
  338    HB2  TYR  71           HB2      TYR  71  -6.580   6.169   4.367
  339    HB3  TYR  71           HB3      TYR  71  -8.122   6.190   3.544
  340    HD1  TYR  71           HD1      TYR  71  -8.914   3.770   2.554
  341    HD2  TYR  71           HD2      TYR  71  -6.233   4.385   5.889
  342    HE1  TYR  71           HE1      TYR  71  -9.604   1.605   3.510
  343    HE2  TYR  71           HE2      TYR  71  -7.006   2.259   6.874
  344    HH   TYR  71           HH       TYR  71  -8.533   0.575   6.753
  345    H    TYR  72           H        TYR  72  -5.710   3.681   1.005
  346    HA   TYR  72           HA       TYR  72  -8.234   3.371  -0.583
  347    HB2  TYR  72           HB2      TYR  72  -5.427   3.228  -1.751
  348    HB3  TYR  72           HB3      TYR  72  -6.934   2.989  -2.608
  349    HD1  TYR  72           HD1      TYR  72  -4.741   5.514  -0.974
  350    HD2  TYR  72           HD2      TYR  72  -8.215   4.858  -3.454
  351    HE1  TYR  72           HE1      TYR  72  -4.802   7.942  -1.538
  352    HE2  TYR  72           HE2      TYR  72  -8.253   7.269  -4.038
  353    HH   TYR  72           HH       TYR  72  -7.383   9.338  -3.583
  354    H    THR  73           H        THR  73  -8.757   1.198  -1.104
  355    HA   THR  73           HA       THR  73  -6.925  -0.931  -0.049
  356    HB   THR  73           HB       THR  73  -8.478  -0.552   1.686
  357    HG1  THR  73           HG1      THR  73  -9.553  -2.785   0.345
  358   HG21  THR  73          HG21      THR  73 -10.907  -0.903   1.471
  359   HG22  THR  73          HG22      THR  73 -10.755  -0.920  -0.299
  360   HG23  THR  73          HG23      THR  73 -10.358   0.548   0.623
  361    H    VAL  74           H        VAL  74  -6.691  -2.737  -1.206
  362    HA   VAL  74           HA       VAL  74  -8.364  -3.198  -3.637
  363    HB   VAL  74           HB       VAL  74  -5.342  -2.782  -3.617
  364   HG11  VAL  74          HG11      VAL  74  -5.592  -3.075  -6.109
  365   HG12  VAL  74          HG12      VAL  74  -7.251  -3.647  -5.818
  366   HG13  VAL  74          HG13      VAL  74  -5.848  -4.547  -5.187
  367   HG21  VAL  74          HG21      VAL  74  -7.570  -1.179  -4.950
  368   HG22  VAL  74          HG22      VAL  74  -5.832  -0.955  -5.246
  369   HG23  VAL  74          HG23      VAL  74  -6.494  -0.619  -3.649
  370    H    TYR  75           H        TYR  75  -8.529  -5.376  -4.225
  371    HA   TYR  75           HA       TYR  75  -7.310  -7.294  -2.330
  372    HB2  TYR  75           HB2      TYR  75  -9.495  -7.513  -4.406
  373    HB3  TYR  75           HB3      TYR  75  -8.813  -8.912  -3.589
  374    HD1  TYR  75           HD1      TYR  75  -9.000  -9.202  -1.110
  375    HD2  TYR  75           HD2      TYR  75 -11.026  -6.019  -3.213
  376    HE1  TYR  75           HE1      TYR  75 -10.493  -8.854   0.847
  377    HE2  TYR  75           HE2      TYR  75 -12.519  -5.683  -1.249
  378    HH   TYR  75           HH       TYR  75 -12.900  -6.206   0.943
  379    H    LEU  76           H        LEU  76  -6.223  -9.086  -2.903
  380    HA   LEU  76           HA       LEU  76  -4.742  -9.086  -5.503
  381    HB2  LEU  76           HB2      LEU  76  -4.021 -10.253  -2.796
  382    HB3  LEU  76           HB3      LEU  76  -3.009 -10.306  -4.230
  383    HG   LEU  76           HG       LEU  76  -3.892  -7.666  -2.953
  384   HD11  LEU  76          HD11      LEU  76  -1.402  -9.307  -2.491
  385   HD12  LEU  76          HD12      LEU  76  -2.662  -8.938  -1.301
  386   HD13  LEU  76          HD13      LEU  76  -1.660  -7.626  -1.938
  387   HD21  LEU  76          HD21      LEU  76  -3.118  -7.475  -5.289
  388   HD22  LEU  76          HD22      LEU  76  -1.628  -8.356  -4.877
  389   HD23  LEU  76          HD23      LEU  76  -1.958  -6.755  -4.173
  390    H    ASN  77           H        ASN  77  -7.299 -10.675  -4.016
  391    HA   ASN  77           HA       ASN  77  -7.021 -13.371  -4.939
  392    HB2  ASN  77           HB2      ASN  77  -9.426 -11.504  -4.686
  393    HB3  ASN  77           HB3      ASN  77  -9.573 -13.188  -5.167
  394   HD21  ASN  77          HD21      ASN  77 -10.542 -11.635  -2.734
  395   HD22  ASN  77          HD22      ASN  77 -10.049 -12.734  -1.444
  396    H    THR  78           H        THR  78  -7.759 -10.358  -6.701
  397    HA   THR  78           HA       THR  78  -7.381 -11.702  -9.289
  398    HB   THR  78           HB       THR  78  -9.345 -10.782 -10.280
  399    HG1  THR  78           HG1      THR  78 -10.074  -9.663  -7.787
  400   HG21  THR  78          HG21      THR  78 -10.303 -11.901  -7.614
  401   HG22  THR  78          HG22      THR  78  -9.784 -12.879  -9.007
  402   HG23  THR  78          HG23      THR  78 -11.201 -11.821  -9.139
  403    HA   PRO  79           HA       PRO  79  -5.661  -7.536 -10.225
  404    HB2  PRO  79           HB2      PRO  79  -7.159  -7.742 -12.823
  405    HB3  PRO  79           HB3      PRO  79  -5.440  -7.327 -12.530
  406    HG2  PRO  79           HG2      PRO  79  -6.074  -9.783 -13.471
  407    HG3  PRO  79           HG3      PRO  79  -4.879  -9.628 -12.129
  408    HD2  PRO  79           HD2      PRO  79  -7.835 -10.233 -11.878
  409    HD3  PRO  79           HD3      PRO  79  -6.438 -11.137 -11.208
  410    H    LEU  80           H        LEU  80  -6.522  -5.545  -9.674
  411    HA   LEU  80           HA       LEU  80  -9.186  -5.333  -8.812
  412    HB2  LEU  80           HB2      LEU  80  -8.710  -3.148  -8.189
  413    HB3  LEU  80           HB3      LEU  80  -7.192  -4.017  -8.032
  414    HG   LEU  80           HG       LEU  80  -7.928  -2.118 -10.300
  415   HD11  LEU  80          HD11      LEU  80  -6.308  -0.601  -9.311
  416   HD12  LEU  80          HD12      LEU  80  -5.941  -1.770  -8.030
  417   HD13  LEU  80          HD13      LEU  80  -7.544  -1.008  -8.109
  418   HD21  LEU  80          HD21      LEU  80  -5.386  -3.675  -9.700
  419   HD22  LEU  80          HD22      LEU  80  -5.416  -2.284 -10.781
  420   HD23  LEU  80          HD23      LEU  80  -6.361  -3.728 -11.181
  421    H    ALA  81           H        ALA  81 -10.906  -3.955  -9.430
  422    HA   ALA  81           HA       ALA  81 -11.760  -4.158 -12.116
  423    HB1  ALA  81           HB1      ALA  81 -12.666  -2.294  -9.872
  424    HB2  ALA  81           HB2      ALA  81 -13.267  -3.939 -10.187
  425    HB3  ALA  81           HB3      ALA  81 -13.579  -2.642 -11.354
  426    H    GLU  82           H        GLU  82 -11.948  -2.685 -13.835
  427    HA   GLU  82           HA       GLU  82  -9.868  -0.754 -14.245
  428    HB2  GLU  82           HB2      GLU  82 -12.551  -1.024 -15.637
  429    HB3  GLU  82           HB3      GLU  82 -11.180  -0.110 -16.230
  430    HG2  GLU  82           HG2      GLU  82 -11.226  -3.141 -15.837
  431    HG3  GLU  82           HG3      GLU  82 -11.487  -2.303 -17.360
  432    H    ASP  83           H        ASP  83 -13.083  -0.486 -12.865
  433    HA   ASP  83           HA       ASP  83 -13.419   2.374 -12.910
  434    HB2  ASP  83           HB2      ASP  83 -14.503   0.347 -10.925
  435    HB3  ASP  83           HB3      ASP  83 -15.189   1.937 -11.288
  436    H    ARG  84           H        ARG  84 -11.525   0.255 -10.932
  437    HA   ARG  84           HA       ARG  84 -10.919   2.338  -8.855
  438    HB2  ARG  84           HB2      ARG  84 -10.251  -0.641  -9.023
  439    HB3  ARG  84           HB3      ARG  84  -9.761   0.448  -7.731
  440    HG2  ARG  84           HG2      ARG  84 -12.117   0.862  -7.125
  441    HG3  ARG  84           HG3      ARG  84 -12.655  -0.176  -8.458
  442    HD2  ARG  84           HD2      ARG  84 -11.367  -2.075  -7.410
  443    HD3  ARG  84           HD3      ARG  84 -11.064  -1.054  -6.009
  444    HE   ARG  84           HE       ARG  84 -13.547  -2.407  -6.765
  445   HH11  ARG  84          HH11      ARG  84 -12.225   0.007  -4.537
  446   HH12  ARG  84          HH12      ARG  84 -13.762   0.081  -3.678
  447   HH21  ARG  84          HH21      ARG  84 -15.481  -1.989  -5.723
  448   HH22  ARG  84          HH22      ARG  84 -15.448  -1.011  -4.256
  449    H    LYS  85           H        LYS  85  -9.495   0.587 -11.613
  450    HA   LYS  85           HA       LYS  85  -6.784   1.466 -11.203
  451    HB2  LYS  85           HB2      LYS  85  -8.328   0.840 -13.757
  452    HB3  LYS  85           HB3      LYS  85  -6.615   1.259 -13.733
  453    HG2  LYS  85           HG2      LYS  85  -6.196  -0.671 -12.178
  454    HG3  LYS  85           HG3      LYS  85  -7.893  -1.154 -12.394
  455    HD2  LYS  85           HD2      LYS  85  -7.486  -1.260 -14.863
  456    HD3  LYS  85           HD3      LYS  85  -5.770  -0.934 -14.569
  457    HE2  LYS  85           HE2      LYS  85  -5.577  -3.000 -13.236
  458    HE3  LYS  85           HE3      LYS  85  -7.320  -3.300 -13.422
  459    HZ1  LYS  85           HZ1      LYS  85  -6.039  -4.573 -15.045
  460    HZ2  LYS  85           HZ2      LYS  85  -5.338  -3.227 -15.633
  461    HZ3  LYS  85           HZ3      LYS  85  -6.979  -3.432 -15.806
  462    H    ASN  86           H        ASN  86  -9.503   2.985 -12.877
  463    HA   ASN  86           HA       ASN  86  -7.995   5.339 -13.654
  464    HB2  ASN  86           HB2      ASN  86 -10.910   4.456 -13.810
  465    HB3  ASN  86           HB3      ASN  86 -10.393   6.034 -14.360
  466   HD21  ASN  86          HD21      ASN  86 -10.339   2.626 -15.085
  467   HD22  ASN  86          HD22      ASN  86  -9.591   2.790 -16.663
  468    H    VAL  87           H        VAL  87  -8.816   4.724 -10.484
  469    HA   VAL  87           HA       VAL  87 -10.300   7.216  -9.988
  470    HB   VAL  87           HB       VAL  87 -10.672   4.909  -8.888
  471   HG11  VAL  87          HG11      VAL  87  -8.332   4.642  -8.091
  472   HG12  VAL  87          HG12      VAL  87  -9.562   4.446  -6.833
  473   HG13  VAL  87          HG13      VAL  87  -8.597   5.945  -6.921
  474   HG21  VAL  87          HG21      VAL  87 -11.605   5.953  -6.910
  475   HG22  VAL  87          HG22      VAL  87 -11.881   6.994  -8.311
  476   HG23  VAL  87          HG23      VAL  87 -10.603   7.398  -7.135
  477    H    GLU  88           H        GLU  88  -9.600   8.926  -8.693
  478    HA   GLU  88           HA       GLU  88  -6.952   9.829  -9.301
  479    HB2  GLU  88           HB2      GLU  88  -9.070  10.895  -7.386
  480    HB3  GLU  88           HB3      GLU  88  -7.635  11.787  -7.896
  481    HG2  GLU  88           HG2      GLU  88  -8.408  11.888 -10.187
  482    HG3  GLU  88           HG3      GLU  88  -9.761  10.803  -9.847
  483    H    LEU  89           H        LEU  89  -5.181  10.278  -8.037
  484    HA   LEU  89           HA       LEU  89  -5.033   9.132  -5.284
  485    HB2  LEU  89           HB2      LEU  89  -2.914   9.914  -7.318
  486    HB3  LEU  89           HB3      LEU  89  -2.543   9.407  -5.681
  487    HG   LEU  89           HG       LEU  89  -3.940   7.687  -7.778
  488   HD11  LEU  89          HD11      LEU  89  -1.853   6.413  -7.812
  489   HD12  LEU  89          HD12      LEU  89  -1.134   7.508  -6.606
  490   HD13  LEU  89          HD13      LEU  89  -1.528   8.101  -8.229
  491   HD21  LEU  89          HD21      LEU  89  -2.987   7.031  -4.948
  492   HD22  LEU  89          HD22      LEU  89  -3.491   5.825  -6.150
  493   HD23  LEU  89          HD23      LEU  89  -4.666   6.988  -5.541
  494    H    LEU  90           H        LEU  90  -5.370  10.463  -3.682
  495    HA   LEU  90           HA       LEU  90  -5.341  13.298  -3.665
  496    HB2  LEU  90           HB2      LEU  90  -5.194  11.147  -1.532
  497    HB3  LEU  90           HB3      LEU  90  -5.142  12.844  -1.086
  498    HG   LEU  90           HG       LEU  90  -7.410  11.727  -2.774
  499   HD11  LEU  90          HD11      LEU  90  -7.373  10.488  -0.666
  500   HD12  LEU  90          HD12      LEU  90  -8.713  11.635  -0.665
  501   HD13  LEU  90          HD13      LEU  90  -7.237  12.004   0.257
  502   HD21  LEU  90          HD21      LEU  90  -7.161  14.207  -1.012
  503   HD22  LEU  90          HD22      LEU  90  -8.609  13.703  -1.908
  504   HD23  LEU  90          HD23      LEU  90  -7.162  14.194  -2.790
  505    H    GLY  91           H        GLY  91  -2.639  11.099  -3.262
  506    HA2  GLY  91           HA2      GLY  91  -0.696  13.221  -3.429
  507    HA3  GLY  91           HA3      GLY  91  -0.888  12.608  -1.784
  508    H    LYS  92           H        LYS  92   1.538  12.376  -2.646
  509    HA   LYS  92           HA       LYS  92   2.231  10.093  -4.202
  510    HB2  LYS  92           HB2      LYS  92   3.539  12.299  -3.317
  511    HB3  LYS  92           HB3      LYS  92   4.090  11.180  -2.096
  512    HG2  LYS  92           HG2      LYS  92   5.717  10.882  -3.673
  513    HG3  LYS  92           HG3      LYS  92   4.567   9.710  -4.342
  514    HD2  LYS  92           HD2      LYS  92   3.681  11.703  -5.771
  515    HD3  LYS  92           HD3      LYS  92   5.088  12.595  -5.171
  516    HE2  LYS  92           HE2      LYS  92   5.894  11.736  -7.183
  517    HE3  LYS  92           HE3      LYS  92   6.499  10.585  -5.982
  518    HZ1  LYS  92           HZ1      LYS  92   5.505   9.381  -7.814
  519    HZ2  LYS  92           HZ2      LYS  92   4.556   9.169  -6.521
  520    HZ3  LYS  92           HZ3      LYS  92   4.076  10.237  -7.675
  521    H    MET  93           H        MET  93   3.479   8.212  -3.501
  522    HA   MET  93           HA       MET  93   1.944   6.571  -1.684
  523    HB2  MET  93           HB2      MET  93   2.872   5.820  -3.876
  524    HB3  MET  93           HB3      MET  93   4.505   5.955  -3.227
  525    HG2  MET  93           HG2      MET  93   3.899   4.205  -1.503
  526    HG3  MET  93           HG3      MET  93   2.337   4.035  -2.294
  527    HE1  MET  93           HE1      MET  93   5.833   1.451  -3.140
  528    HE2  MET  93           HE2      MET  93   4.825   1.758  -1.710
  529    HE3  MET  93           HE3      MET  93   6.064   2.941  -2.198
  530    H    TYR  94           H        TYR  94   2.476   7.946   0.311
  531    HA   TYR  94           HA       TYR  94   4.996   7.838   1.577
  532    HB2  TYR  94           HB2      TYR  94   3.631   9.268   2.655
  533    HB3  TYR  94           HB3      TYR  94   2.204   8.320   2.395
  534    HD1  TYR  94           HD1      TYR  94   5.267   8.531   4.547
  535    HD2  TYR  94           HD2      TYR  94   1.281   6.977   4.112
  536    HE1  TYR  94           HE1      TYR  94   5.234   7.959   6.964
  537    HE2  TYR  94           HE2      TYR  94   1.249   6.383   6.546
  538    HH   TYR  94           HH       TYR  94   4.034   7.010   8.692
  539    H    LYS  95           H        LYS  95   2.322   5.409   2.133
  540    HA   LYS  95           HA       LYS  95   4.373   3.274   2.278
  541    HB2  LYS  95           HB2      LYS  95   3.047   4.420   4.672
  542    HB3  LYS  95           HB3      LYS  95   2.843   2.683   4.544
  543    HG2  LYS  95           HG2      LYS  95   5.186   2.257   4.531
  544    HG3  LYS  95           HG3      LYS  95   5.586   3.978   4.339
  545    HD2  LYS  95           HD2      LYS  95   4.532   4.461   6.523
  546    HD3  LYS  95           HD3      LYS  95   4.221   2.743   6.761
  547    HE2  LYS  95           HE2      LYS  95   6.988   3.982   6.423
  548    HE3  LYS  95           HE3      LYS  95   6.213   3.678   7.982
  549    HZ1  LYS  95           HZ1      LYS  95   7.005   1.635   6.003
  550    HZ2  LYS  95           HZ2      LYS  95   6.115   1.290   7.357
  551    HZ3  LYS  95           HZ3      LYS  95   7.645   1.859   7.496
  552    H    THR  96           H        THR  96   3.471   1.110   2.384
  553    HA   THR  96           HA       THR  96   0.569   0.817   1.837
  554    HB   THR  96           HB       THR  96   2.667  -0.539   0.092
  555    HG1  THR  96           HG1      THR  96   2.158   1.718  -0.249
  556   HG21  THR  96          HG21      THR  96   0.691  -1.260  -1.246
  557   HG22  THR  96          HG22      THR  96  -0.388  -0.567  -0.025
  558   HG23  THR  96          HG23      THR  96   0.638  -1.957   0.365
  559    H    TYR  97           H        TYR  97  -0.251  -1.025   2.519
  560    HA   TYR  97           HA       TYR  97   1.400  -2.777   4.299
  561    HB2  TYR  97           HB2      TYR  97  -1.436  -1.743   4.787
  562    HB3  TYR  97           HB3      TYR  97  -0.483  -2.738   5.854
  563    HD1  TYR  97           HD1      TYR  97  -0.682   0.663   4.324
  564    HD2  TYR  97           HD2      TYR  97   1.071  -1.783   7.406
  565    HE1  TYR  97           HE1      TYR  97   0.352   2.668   5.351
  566    HE2  TYR  97           HE2      TYR  97   2.005   0.228   8.487
  567    HH   TYR  97           HH       TYR  97   2.288   2.532   8.352
  568    H    PHE  98           H        PHE  98   1.023  -4.932   4.176
  569    HA   PHE  98           HA       PHE  98  -1.098  -5.911   2.289
  570    HB2  PHE  98           HB2      PHE  98   1.779  -6.768   2.648
  571    HB3  PHE  98           HB3      PHE  98   0.612  -7.619   1.660
  572    HD1  PHE  98           HD1      PHE  98   2.544  -4.427   1.954
  573    HD2  PHE  98           HD2      PHE  98   0.022  -6.882  -0.523
  574    HE1  PHE  98           HE1      PHE  98   3.101  -3.030  -0.025
  575    HE2  PHE  98           HE2      PHE  98   0.679  -5.553  -2.519
  576    HZ   PHE  98           HZ       PHE  98   2.227  -3.633  -2.267
  577    H    PHE  99           H        PHE  99  -2.098  -7.794   2.663
  578    HA   PHE  99           HA       PHE  99  -1.978  -8.795   5.474
  579    HB2  PHE  99           HB2      PHE  99  -4.366  -8.151   3.713
  580    HB3  PHE  99           HB3      PHE  99  -4.439  -8.782   5.349
  581    HD1  PHE  99           HD1      PHE  99  -3.462  -5.812   3.300
  582    HD2  PHE  99           HD2      PHE  99  -4.278  -7.311   7.260
  583    HE1  PHE  99           HE1      PHE  99  -3.288  -3.516   4.200
  584    HE2  PHE  99           HE2      PHE  99  -4.191  -4.992   8.136
  585    HZ   PHE  99           HZ       PHE  99  -3.618  -3.107   6.629
  586    H    LYS 100           H        LYS 100  -1.900 -10.946   5.760
  587    HA   LYS 100           HA       LYS 100  -2.065 -12.835   3.542
  588    HB2  LYS 100           HB2      LYS 100  -1.970 -13.303   6.512
  589    HB3  LYS 100           HB3      LYS 100  -1.871 -14.568   5.263
  590    HG2  LYS 100           HG2      LYS 100   0.226 -14.145   4.694
  591    HG3  LYS 100           HG3      LYS 100   0.135 -12.407   4.898
  592    HD2  LYS 100           HD2      LYS 100   0.239 -12.720   7.380
  593    HD3  LYS 100           HD3      LYS 100   0.344 -14.480   7.129
  594    HE2  LYS 100           HE2      LYS 100   2.404 -14.011   5.672
  595    HE3  LYS 100           HE3      LYS 100   2.369 -12.359   6.303
  596    HZ1  LYS 100           HZ1      LYS 100   2.599 -14.819   7.954
  597    HZ2  LYS 100           HZ2      LYS 100   2.597 -13.292   8.547
  598    HZ3  LYS 100           HZ3      LYS 100   3.837 -13.821   7.586
  599    H    LYS 101           H        LYS 101  -3.520 -14.640   3.427
  600    HA   LYS 101           HA       LYS 101  -6.221 -13.919   3.219
  601    HB2  LYS 101           HB2      LYS 101  -6.703 -16.305   2.920
  602    HB3  LYS 101           HB3      LYS 101  -5.351 -15.717   1.955
  603    HG2  LYS 101           HG2      LYS 101  -3.741 -16.794   3.486
  604    HG3  LYS 101           HG3      LYS 101  -5.070 -17.317   4.522
  605    HD2  LYS 101           HD2      LYS 101  -4.313 -19.172   3.161
  606    HD3  LYS 101           HD3      LYS 101  -5.966 -18.734   2.712
  607    HE2  LYS 101           HE2      LYS 101  -5.112 -17.516   0.726
  608    HE3  LYS 101           HE3      LYS 101  -3.446 -17.899   1.197
  609    HZ1  LYS 101           HZ1      LYS 101  -5.495 -19.956   0.532
  610    HZ2  LYS 101           HZ2      LYS 101  -3.918 -20.247   0.855
  611    HZ3  LYS 101           HZ3      LYS 101  -4.332 -19.452  -0.498
  612    H    GLY 102           H        GLY 102  -7.857 -13.610   4.489
  613    HA2  GLY 102           HA2      GLY 102  -9.274 -13.718   6.312
  614    HA3  GLY 102           HA3      GLY 102  -8.348 -15.081   6.927
  615    H    GLU 103           H        GLU 103  -6.064 -12.640   6.684
  616    HA   GLU 103           HA       GLU 103  -6.324 -11.981   9.559
  617    HB2  GLU 103           HB2      GLU 103  -4.155 -11.316   7.523
  618    HB3  GLU 103           HB3      GLU 103  -4.124 -10.902   9.240
  619    HG2  GLU 103           HG2      GLU 103  -4.493 -13.407   9.701
  620    HG3  GLU 103           HG3      GLU 103  -4.073 -13.679   8.005
  621    H    SER 104           H        SER 104  -5.954  -9.769  10.313
  622    HA   SER 104           HA       SER 104  -7.124  -7.617   8.603
  623    HB2  SER 104           HB2      SER 104  -8.347  -6.913  10.787
  624    HB3  SER 104           HB3      SER 104  -9.025  -8.163   9.750
  625    HG   SER 104           HG       SER 104  -8.762  -9.591  11.210
  626    H    LYS 105           H        LYS 105  -4.470  -8.408  10.474
  627    HA   LYS 105           HA       LYS 105  -3.733  -5.508  10.412
  628    HB2  LYS 105           HB2      LYS 105  -4.049  -6.239  12.734
  629    HB3  LYS 105           HB3      LYS 105  -2.845  -7.520  12.503
  630    HG2  LYS 105           HG2      LYS 105  -1.098  -5.961  12.268
  631    HG3  LYS 105           HG3      LYS 105  -2.149  -4.586  12.076
  632    HD2  LYS 105           HD2      LYS 105  -1.329  -4.440  14.319
  633    HD3  LYS 105           HD3      LYS 105  -2.988  -4.990  14.455
  634    HE2  LYS 105           HE2      LYS 105  -2.228  -7.315  14.695
  635    HE3  LYS 105           HE3      LYS 105  -0.542  -6.798  14.488
  636    HZ1  LYS 105           HZ1      LYS 105  -1.118  -7.084  16.820
  637    HZ2  LYS 105           HZ2      LYS 105  -2.327  -5.985  16.721
  638    HZ3  LYS 105           HZ3      LYS 105  -0.763  -5.501  16.555
  639    H    SER 106           H        SER 106  -1.911  -5.039   9.326
  640    HA   SER 106           HA       SER 106  -1.148  -6.954   7.363
  641    HB2  SER 106           HB2      SER 106   0.230  -5.297   6.405
  642    HB3  SER 106           HB3      SER 106  -1.162  -4.461   7.100
  643    HG   SER 106           HG       SER 106   1.507  -4.286   7.704
  644    H    SER 107           H        SER 107   0.833  -7.880   6.809
  645    HA   SER 107           HA       SER 107   2.788  -8.325   9.063
  646    HB2  SER 107           HB2      SER 107   1.244 -10.250   8.532
  647    HB3  SER 107           HB3      SER 107   1.905 -10.270   6.889
  648    HG   SER 107           HG       SER 107   3.224 -10.750   9.354
  649    H    TYR 108           H        TYR 108   2.460  -7.225   5.888
  650    HA   TYR 108           HA       TYR 108   5.395  -7.067   5.495
  651    HB2  TYR 108           HB2      TYR 108   4.674  -9.001   4.232
  652    HB3  TYR 108           HB3      TYR 108   3.315  -8.132   3.556
  653    HD1  TYR 108           HD1      TYR 108   7.052  -8.031   3.663
  654    HD2  TYR 108           HD2      TYR 108   3.514  -7.373   1.331
  655    HE1  TYR 108           HE1      TYR 108   8.473  -7.591   1.640
  656    HE2  TYR 108           HE2      TYR 108   4.907  -6.993  -0.678
  657    HH   TYR 108           HH       TYR 108   7.046  -7.093  -1.594
  658    H    VAL 109           H        VAL 109   5.970  -5.037   4.974
  659    HA   VAL 109           HA       VAL 109   3.980  -3.233   3.717
  660    HB   VAL 109           HB       VAL 109   4.360  -1.460   5.120
  661   HG11  VAL 109          HG11      VAL 109   2.781  -3.102   6.022
  662   HG12  VAL 109          HG12      VAL 109   3.529  -2.055   7.250
  663   HG13  VAL 109          HG13      VAL 109   4.113  -3.731   7.052
  664   HG21  VAL 109          HG21      VAL 109   6.697  -2.737   6.054
  665   HG22  VAL 109          HG22      VAL 109   5.829  -1.759   7.256
  666   HG23  VAL 109          HG23      VAL 109   6.366  -1.027   5.723
  667    H    ILE 110           H        ILE 110   4.834  -1.262   2.942
  668    HA   ILE 110           HA       ILE 110   7.642  -1.385   1.953
  669    HB   ILE 110           HB       ILE 110   5.239  -1.202   0.153
  670   HG12  ILE 110          HG12      ILE 110   6.752  -3.721   0.918
  671   HG13  ILE 110          HG13      ILE 110   5.026  -3.425   1.017
  672   HG21  ILE 110          HG21      ILE 110   8.132  -1.865  -0.522
  673   HG22  ILE 110          HG22      ILE 110   7.386  -0.256  -0.712
  674   HG23  ILE 110          HG23      ILE 110   6.793  -1.592  -1.666
  675   HD11  ILE 110          HD11      ILE 110   5.185  -4.830  -0.762
  676   HD12  ILE 110          HD12      ILE 110   6.706  -4.149  -1.324
  677   HD13  ILE 110          HD13      ILE 110   5.158  -3.268  -1.589
  678    H    ASN 111           H        ASN 111   8.439   0.569   1.393
  679    HA   ASN 111           HA       ASN 111   6.856   2.968   2.202
  680    HB2  ASN 111           HB2      ASN 111   9.848   2.383   2.122
  681    HB3  ASN 111           HB3      ASN 111   9.126   3.842   2.746
  682   HD21  ASN 111          HD21      ASN 111  10.830   2.594   4.326
  683   HD22  ASN 111          HD22      ASN 111  10.044   1.680   5.599
  684    H    GLY 112           H        GLY 112   6.968   4.880   0.973
  685    HA2  GLY 112           HA2      GLY 112   8.667   4.932  -1.470
  686    HA3  GLY 112           HA3      GLY 112   6.919   5.064  -1.672
  687    HA   PRO 113           HA       PRO 113   8.756   9.278  -0.927
  688    HB2  PRO 113           HB2      PRO 113   7.843  10.561  -3.147
  689    HB3  PRO 113           HB3      PRO 113   9.328   9.573  -3.127
  690    HG2  PRO 113           HG2      PRO 113   6.566   8.679  -4.020
  691    HG3  PRO 113           HG3      PRO 113   8.104   8.526  -4.904
  692    HD2  PRO 113           HD2      PRO 113   7.050   6.512  -3.384
  693    HD3  PRO 113           HD3      PRO 113   8.819   6.771  -3.459
  694    H    GLY 114           H        GLY 114   7.635  10.481   0.415
  695    HA2  GLY 114           HA2      GLY 114   5.300  11.831   0.171
  696    HA3  GLY 114           HA3      GLY 114   4.730  10.278   0.786
  697    H    LYS 115           H        LYS 115   6.965   9.749   2.519
  698    HA   LYS 115           HA       LYS 115   7.492   9.818   4.681
  699    HB2  LYS 115           HB2      LYS 115   8.274  12.472   3.567
  700    HB3  LYS 115           HB3      LYS 115   8.392  12.291   5.313
  701    HG2  LYS 115           HG2      LYS 115   9.786  10.285   5.080
  702    HG3  LYS 115           HG3      LYS 115   9.582  10.326   3.341
  703    HD2  LYS 115           HD2      LYS 115  11.777  11.169   3.901
  704    HD3  LYS 115           HD3      LYS 115  10.805  12.454   3.193
  705    HE2  LYS 115           HE2      LYS 115  12.133  13.306   5.041
  706    HE3  LYS 115           HE3      LYS 115  10.412  13.432   5.423
  707    HZ1  LYS 115           HZ1      LYS 115  12.091  11.168   6.362
  708    HZ2  LYS 115           HZ2      LYS 115  11.891  12.530   7.248
  709    HZ3  LYS 115           HZ3      LYS 115  10.604  11.570   6.888
  710    H    THR 116           H        THR 116   4.718  11.813   4.179
  711    HA   THR 116           HA       THR 116   3.888  11.415   6.965
  712    HB   THR 116           HB       THR 116   5.268  13.380   7.213
  713    HG1  THR 116           HG1      THR 116   3.806  14.691   8.057
  714   HG21  THR 116          HG21      THR 116   5.273  14.241   4.853
  715   HG22  THR 116          HG22      THR 116   4.913  15.479   6.052
  716   HG23  THR 116          HG23      THR 116   3.599  14.790   5.089
  717    H    ASN 117           H        ASN 117   1.648  11.619   7.219
  718    HA   ASN 117           HA       ASN 117   0.013  11.790   4.774
  719    HB2  ASN 117           HB2      ASN 117  -0.686  11.468   7.732
  720    HB3  ASN 117           HB3      ASN 117  -1.826  11.370   6.401
  721   HD21  ASN 117          HD21      ASN 117  -0.573   9.726   4.512
  722   HD22  ASN 117          HD22      ASN 117  -0.081   8.238   5.306
  723    H    GLU 118           H        GLU 118   1.240  14.003   7.120
  724    HA   GLU 118           HA       GLU 118  -0.994  15.769   7.366
  725    HB2  GLU 118           HB2      GLU 118   1.919  16.179   8.130
  726    HB3  GLU 118           HB3      GLU 118   0.552  17.172   8.641
  727    HG2  GLU 118           HG2      GLU 118  -0.452  15.218   9.787
  728    HG3  GLU 118           HG3      GLU 118   0.935  14.228   9.318
  729    H    TYR 119           H        TYR 119  -1.082  15.838   4.830
  730    HA   TYR 119           HA       TYR 119  -1.223  17.202   3.022
  731    HB2  TYR 119           HB2      TYR 119  -2.841  17.890   4.723
  732    HB3  TYR 119           HB3      TYR 119  -1.721  19.094   5.332
  733    HD1  TYR 119           HD1      TYR 119  -3.596  18.126   2.194
  734    HD2  TYR 119           HD2      TYR 119  -1.941  21.296   4.597
  735    HE1  TYR 119           HE1      TYR 119  -4.668  19.815   0.704
  736    HE2  TYR 119           HE2      TYR 119  -3.060  22.978   3.157
  737    HH   TYR 119           HH       TYR 119  -5.059  22.052   0.326
  738    H    ALA 120           H        ALA 120   1.389  16.853   3.314
  739    HA   ALA 120           HA       ALA 120   3.513  17.705   3.098
  740    HB1  ALA 120           HB1      ALA 120   2.517  17.149   0.913
  741    HB2  ALA 120           HB2      ALA 120   3.767  18.401   0.778
  742    HB3  ALA 120           HB3      ALA 120   2.050  18.855   0.698
  743    H    TYR 121           H        TYR 121   2.502  19.453   4.995
  744    HA   TYR 121           HA       TYR 121   3.948  21.986   4.315
  745    HB2  TYR 121           HB2      TYR 121   1.410  22.167   4.222
  746    HB3  TYR 121           HB3      TYR 121   1.387  21.878   5.948
  747    HD1  TYR 121           HD1      TYR 121   2.478  23.571   7.517
  748    HD2  TYR 121           HD2      TYR 121   1.983  24.276   3.291
  749    HE1  TYR 121           HE1      TYR 121   2.930  25.999   7.868
  750    HE2  TYR 121           HE2      TYR 121   2.416  26.704   3.648
  751    HH   TYR 121           HH       TYR 121   3.214  28.052   6.863
  752    H1   ACE   6           H1       ACE   6  18.679  -1.184 -15.382
  753    H2   ACE   6           H2       ACE   6  19.853   0.147 -15.353
  754    H3   ACE   6           H3       ACE   6  20.418  -1.542 -15.385
  755    H    THR   7           H        THR   7  17.839  -0.018 -13.490
  756    HA   THR   7           HA       THR   7  19.056  -1.021 -10.954
  757    HB   THR   7           HB       THR   7  19.722   1.367 -11.402
  758    HG1  THR   7           HG1      THR   7  19.419   1.891  -9.343
  759   HG21  THR   7          HG21      THR   7  16.816   2.009 -10.708
  760   HG22  THR   7          HG22      THR   7  17.499   2.155 -12.341
  761   HG23  THR   7          HG23      THR   7  18.134   3.146 -11.022
  762    H    THR   8           H        THR   8  17.457  -0.717  -9.062
  763    HA   THR   8           HA       THR   8  14.636  -0.793  -9.836
  764    HB   THR   8           HB       THR   8  15.866  -3.130 -10.154
  765    HG1  THR   8           HG1      THR   8  13.878  -2.864 -10.759
  766   HG21  THR   8          HG21      THR   8  15.442  -4.706  -8.422
  767   HG22  THR   8          HG22      THR   8  16.471  -3.428  -7.754
  768   HG23  THR   8          HG23      THR   8  14.730  -3.461  -7.379
  769    HA   PRO   9           HA       PRO   9  13.704   0.607  -5.699
  770    HB2  PRO   9           HB2      PRO   9  11.547  -1.482  -5.964
  771    HB3  PRO   9           HB3      PRO   9  11.418   0.165  -5.249
  772    HG2  PRO   9           HG2      PRO   9  10.584  -0.234  -7.762
  773    HG3  PRO   9           HG3      PRO   9  11.638   1.179  -7.414
  774    HD2  PRO   9           HD2      PRO   9  12.386  -1.482  -8.609
  775    HD3  PRO   9           HD3      PRO   9  12.920   0.154  -9.065
  776    H    ASP  10           H        ASP  10  12.845  -0.186  -3.514
  777    HA   ASP  10           HA       ASP  10  14.811  -1.768  -2.268
  778    HB2  ASP  10           HB2      ASP  10  13.648  -1.268  -0.196
  779    HB3  ASP  10           HB3      ASP  10  13.604   0.189  -1.191
  780    H2   TYS  11           H2       TYS  11  11.677  -2.507  -3.052
  781    HA   TYS  11           HA       TYS  11  10.292  -4.319  -3.007
  782    HB2  TYS  11           HB2      TYS  11  12.819  -5.788  -3.737
  783    HB3  TYS  11           HB3      TYS  11  11.257  -6.581  -3.555
  784    HD1  TYS  11           HD1      TYS  11   9.212  -5.515  -4.592
  785    HD2  TYS  11           HD2      TYS  11  13.205  -4.650  -5.907
  786    HE1  TYS  11           HE1      TYS  11   8.323  -4.209  -6.399
  787    HE2  TYS  11           HE2      TYS  11  12.279  -3.464  -7.847
  788    H    GLY  12           H        GLY  12   9.995  -3.518  -1.204
  789    HA2  GLY  12           HA2      GLY  12   8.928  -3.625   0.728
  790    HA3  GLY  12           HA3      GLY  12   8.587  -5.254   0.227
  791    H    HIS  13           H        HIS  13   8.443  -4.687   2.986
  792    HA   HIS  13           HA       HIS  13  10.416  -6.711   3.846
  793    HB2  HIS  13           HB2      HIS  13  11.018  -5.435   5.860
  794    HB3  HIS  13           HB3      HIS  13  11.689  -4.754   4.385
  795    HD1  HIS  13           HD1      HIS  13  10.602  -2.484   3.439
  796    HD2  HIS  13           HD2      HIS  13   8.969  -3.848   7.118
  797    HE1  HIS  13           HE1      HIS  13   8.923  -0.696   4.298
  798    HE2  HIS  13           HE2      HIS  13   8.362  -1.386   6.725
  799    H2   TYS  14           H2       TYS  14   9.971  -7.536   5.993
  800    HA   TYS  14           HA       TYS  14   7.053  -7.491   6.611
  801    HB2  TYS  14           HB2      TYS  14   9.238  -9.550   7.050
  802    HB3  TYS  14           HB3      TYS  14   7.713  -9.637   7.873
  803    HD1  TYS  14           HD1      TYS  14   9.085  -9.557   4.290
  804    HD2  TYS  14           HD2      TYS  14   5.814 -10.683   6.922
  805    HE1  TYS  14           HE1      TYS  14   8.338 -11.156   2.708
  806    HE2  TYS  14           HE2      TYS  14   5.016 -12.210   5.232
  807    H    ASP  15           H        ASP  15   6.207  -7.021   8.377
  808    HA   ASP  15           HA       ASP  15   7.899  -5.732  10.464
  809    HB2  ASP  15           HB2      ASP  15   5.225  -4.902   9.237
  810    HB3  ASP  15           HB3      ASP  15   6.221  -3.945  10.364
  811    H    ASP  16           H        ASP  16   7.061  -5.291  12.446
  812    HA   ASP  16           HA       ASP  16   4.876  -7.110  13.472
  813    HB2  ASP  16           HB2      ASP  16   7.657  -6.712  14.643
  814    HB3  ASP  16           HB3      ASP  16   6.357  -7.583  15.429
  815    H    LYS  17           H        LYS  17   6.348  -3.981  13.633
  816    HA   LYS  17           HA       LYS  17   4.366  -3.093  15.675
  817    HB2  LYS  17           HB2      LYS  17   6.087  -1.795  16.823
  818    HB3  LYS  17           HB3      LYS  17   6.274  -3.525  17.009
  819    HG2  LYS  17           HG2      LYS  17   7.927  -1.940  15.007
  820    HG3  LYS  17           HG3      LYS  17   8.363  -2.053  16.710
  821    HD2  LYS  17           HD2      LYS  17   8.437  -4.555  16.524
  822    HD3  LYS  17           HD3      LYS  17   8.160  -4.397  14.781
  823    HE2  LYS  17           HE2      LYS  17  10.193  -2.881  14.689
  824    HE3  LYS  17           HE3      LYS  17  10.526  -3.352  16.363
  825    HZ1  LYS  17           HZ1      LYS  17  11.741  -4.777  14.915
  826    HZ2  LYS  17           HZ2      LYS  17  10.524  -5.708  15.527
  827    HZ3  LYS  17           HZ3      LYS  17  10.431  -5.144  13.988
  828    H    ASP  18           H        ASP  18   5.093  -2.754  12.705
  829    HA   ASP  18           HA       ASP  18   4.290   0.107  12.523
  830    HB2  ASP  18           HB2      ASP  18   6.408  -1.259  10.807
  831    HB3  ASP  18           HB3      ASP  18   5.783   0.375  10.597
  832    H    THR  19           H        THR  19   2.306  -1.483  12.566
  833    HA   THR  19           HA       THR  19   1.622  -2.360   9.779
  834    HB   THR  19           HB       THR  19   1.814  -4.402  11.062
  835    HG1  THR  19           HG1      THR  19   0.186  -4.493   9.839
  836   HG21  THR  19          HG21      THR  19   0.134  -3.156  13.217
  837   HG22  THR  19          HG22      THR  19   1.869  -3.523  13.337
  838   HG23  THR  19          HG23      THR  19   0.736  -4.843  13.127
  839    H    LEU  20           H        LEU  20  -0.673  -2.335   9.239
  840    HA   LEU  20           HA       LEU  20  -2.272  -0.255  10.636
  841    HB2  LEU  20           HB2      LEU  20  -1.819   0.240   8.243
  842    HB3  LEU  20           HB3      LEU  20  -2.363  -1.391   7.809
  843    HG   LEU  20           HG       LEU  20  -4.634  -0.818   8.595
  844   HD11  LEU  20          HD11      LEU  20  -5.223   1.574   8.921
  845   HD12  LEU  20          HD12      LEU  20  -3.495   1.991   8.908
  846   HD13  LEU  20          HD13      LEU  20  -4.166   0.973  10.202
  847   HD21  LEU  20          HD21      LEU  20  -3.951  -0.597   6.232
  848   HD22  LEU  20          HD22      LEU  20  -3.405   1.067   6.527
  849   HD23  LEU  20          HD23      LEU  20  -5.130   0.655   6.663
  850    H    ASP  21           H        ASP  21  -3.612  -1.240  12.031
  851    HA   ASP  21           HA       ASP  21  -4.836  -3.873  11.424
  852    HB2  ASP  21           HB2      ASP  21  -6.302  -3.258  13.454
  853    HB3  ASP  21           HB3      ASP  21  -4.781  -4.009  13.633
  854    H    LEU  22           H        LEU  22  -6.270  -3.915  10.032
  855    HA   LEU  22           HA       LEU  22  -8.167  -1.751   9.315
  856    HB2  LEU  22           HB2      LEU  22  -7.572  -4.587   8.504
  857    HB3  LEU  22           HB3      LEU  22  -9.202  -3.990   8.215
  858    HG   LEU  22           HG       LEU  22  -8.476  -2.396   6.638
  859   HD11  LEU  22          HD11      LEU  22  -5.658  -2.880   7.678
  860   HD12  LEU  22          HD12      LEU  22  -6.576  -1.354   7.630
  861   HD13  LEU  22          HD13      LEU  22  -6.000  -2.087   6.128
  862   HD21  LEU  22          HD21      LEU  22  -8.379  -4.814   5.989
  863   HD22  LEU  22          HD22      LEU  22  -6.629  -4.800   6.345
  864   HD23  LEU  22          HD23      LEU  22  -7.288  -3.793   5.035
  865    H    ASN  23           H        ASN  23  -7.901  -4.451  11.509
  866    HA   ASN  23           HA       ASN  23 -10.072  -3.592  13.163
  867    HB2  ASN  23           HB2      ASN  23 -10.137  -6.521  12.314
  868    HB3  ASN  23           HB3      ASN  23 -11.318  -5.619  13.236
  869   HD21  ASN  23          HD21      ASN  23  -9.836  -5.802  10.080
  870   HD22  ASN  23          HD22      ASN  23 -11.302  -5.439   9.138
  871    H    THR  24           H        THR  24  -9.778  -4.630  15.223
  872    HA   THR  24           HA       THR  24  -7.097  -5.879  15.655
  873    HB   THR  24           HB       THR  24  -6.925  -3.542  15.888
  874    HG1  THR  24           HG1      THR  24  -6.926  -3.779  18.526
  875   HG21  THR  24          HG21      THR  24  -9.251  -3.674  17.815
  876   HG22  THR  24          HG22      THR  24  -8.170  -2.268  17.646
  877   HG23  THR  24          HG23      THR  24  -9.144  -2.788  16.274
  878    HA   PRO  25           HA       PRO  25  -9.701  -7.756  19.151
  879    HB2  PRO  25           HB2      PRO  25 -12.056  -8.901  18.488
  880    HB3  PRO  25           HB3      PRO  25 -11.945  -7.159  18.873
  881    HG2  PRO  25           HG2      PRO  25 -12.052  -8.451  16.152
  882    HG3  PRO  25           HG3      PRO  25 -12.941  -7.016  16.747
  883    HD2  PRO  25           HD2      PRO  25 -10.596  -6.921  15.282
  884    HD3  PRO  25           HD3      PRO  25 -11.123  -5.639  16.415
  885    H    VAL  26           H        VAL  26  -9.892 -10.047  19.602
  886    HA   VAL  26           HA       VAL  26  -9.454 -11.924  17.356
  887    HB   VAL  26           HB       VAL  26  -7.199 -11.237  18.007
  888   HG11  VAL  26          HG11      VAL  26  -7.530 -10.777  20.413
  889   HG12  VAL  26          HG12      VAL  26  -6.176 -11.871  20.110
  890   HG13  VAL  26          HG13      VAL  26  -7.711 -12.519  20.714
  891   HG21  VAL  26          HG21      VAL  26  -7.566 -13.480  17.091
  892   HG22  VAL  26          HG22      VAL  26  -7.781 -14.132  18.736
  893   HG23  VAL  26          HG23      VAL  26  -6.226 -13.451  18.232
  894    H    ASP  27           H        ASP  27 -10.436 -13.784  17.575
  895    HA   ASP  27           HA       ASP  27 -11.471 -14.719  20.219
  896    HB2  ASP  27           HB2      ASP  27 -13.130 -14.027  17.771
  897    HB3  ASP  27           HB3      ASP  27 -13.715 -15.081  19.044
  898    H    LYS  28           H        LYS  28  -9.724 -15.567  17.576
  899    HA   LYS  28           HA       LYS  28  -9.066 -17.504  16.599
  900    HB2  LYS  28           HB2      LYS  28  -8.578 -17.949  19.037
  901    HB3  LYS  28           HB3      LYS  28 -10.070 -18.885  19.099
  902    HG2  LYS  28           HG2      LYS  28  -9.048 -20.276  17.127
  903    HG3  LYS  28           HG3      LYS  28  -7.547 -19.415  17.477
  904    HD2  LYS  28           HD2      LYS  28  -7.386 -21.454  18.672
  905    HD3  LYS  28           HD3      LYS  28  -7.793 -20.246  19.903
  906    HE2  LYS  28           HE2      LYS  28 -10.238 -20.930  19.638
  907    HE3  LYS  28           HE3      LYS  28  -9.705 -22.186  18.517
  908    HZ1  LYS  28           HZ1      LYS  28  -9.945 -23.135  20.684
  909    HZ2  LYS  28           HZ2      LYS  28  -9.022 -21.973  21.386
  910    HZ3  LYS  28           HZ3      LYS  28  -8.327 -23.077  20.377
  911    HN1  NH2  29           HN1      NH2  29 -10.781 -17.106  14.973
  912    HN2  NH2  29           HN2      NH2  29 -12.088 -18.254  14.851
  Start of MODEL    7
    1    H1   ASN  31           H1       ASN  31   0.407  12.298 -10.525
    2    H2   ASN  31           H2       ASN  31   1.925  12.319 -11.102
    3    H3   ASN  31           H3       ASN  31   1.575  11.317  -9.844
    4    HA   ASN  31           HA       ASN  31   1.490  14.240  -9.819
    5    HB2  ASN  31           HB2      ASN  31   1.372  13.891  -7.252
    6    HB3  ASN  31           HB3      ASN  31  -0.066  13.847  -8.234
    7   HD21  ASN  31          HD21      ASN  31  -0.878  12.815  -6.153
    8   HD22  ASN  31          HD22      ASN  31  -0.783  11.070  -6.112
    9    H    SER  32           H        SER  32   3.356  14.848 -10.359
   10    HA   SER  32           HA       SER  32   5.639  15.070 -10.480
   11    HB2  SER  32           HB2      SER  32   4.978  15.706  -7.597
   12    HB3  SER  32           HB3      SER  32   6.336  16.357  -8.535
   13    HG   SER  32           HG       SER  32   4.643  17.793  -8.559
   14    H    GLY  33           H        GLY  33   5.651  12.391 -10.452
   15    HA2  GLY  33           HA2      GLY  33   8.187  11.625 -10.056
   16    HA3  GLY  33           HA3      GLY  33   7.591  11.458  -8.400
   17    H    LEU  34           H        LEU  34   4.871  10.616  -9.370
   18    HA   LEU  34           HA       LEU  34   5.392   7.934 -10.525
   19    HB2  LEU  34           HB2      LEU  34   3.952   8.480  -7.898
   20    HB3  LEU  34           HB3      LEU  34   3.964   6.932  -8.734
   21    HG   LEU  34           HG       LEU  34   6.459   8.270  -7.599
   22   HD11  LEU  34          HD11      LEU  34   4.764   5.992  -6.509
   23   HD12  LEU  34          HD12      LEU  34   4.898   7.625  -5.826
   24   HD13  LEU  34          HD13      LEU  34   6.312   6.556  -5.843
   25   HD21  LEU  34          HD21      LEU  34   5.975   5.456  -8.692
   26   HD22  LEU  34          HD22      LEU  34   7.462   6.020  -7.897
   27   HD23  LEU  34          HD23      LEU  34   6.978   6.708  -9.442
   28    HA   PRO  35           HA       PRO  35   1.644   8.853 -12.799
   29    HB2  PRO  35           HB2      PRO  35   0.954   5.957 -12.331
   30    HB3  PRO  35           HB3      PRO  35   0.883   6.881 -13.841
   31    HG2  PRO  35           HG2      PRO  35   2.962   5.217 -13.384
   32    HG3  PRO  35           HG3      PRO  35   3.228   6.820 -14.136
   33    HD2  PRO  35           HD2      PRO  35   3.743   5.986 -11.287
   34    HD3  PRO  35           HD3      PRO  35   4.677   7.069 -12.355
   35    H    THR  36           H        THR  36  -0.363   9.566 -12.309
   36    HA   THR  36           HA       THR  36  -1.239   9.558  -9.569
   37    HB   THR  36           HB       THR  36  -1.472  11.476 -10.777
   38    HG1  THR  36           HG1      THR  36  -4.138  10.957 -10.973
   39   HG21  THR  36          HG21      THR  36  -3.021  11.779 -12.736
   40   HG22  THR  36          HG22      THR  36  -3.182  10.008 -12.826
   41   HG23  THR  36          HG23      THR  36  -1.621  10.794 -13.115
   42    H    THR  37           H        THR  37  -2.055   7.165 -11.987
   43    HA   THR  37           HA       THR  37  -4.699   6.791 -10.666
   44    HB   THR  37           HB       THR  37  -5.154   5.114 -12.378
   45    HG1  THR  37           HG1      THR  37  -2.738   6.032 -13.535
   46   HG21  THR  37          HG21      THR  37  -5.843   7.441 -12.711
   47   HG22  THR  37          HG22      THR  37  -5.367   6.706 -14.250
   48   HG23  THR  37          HG23      THR  37  -4.275   7.837 -13.435
   49    H    LEU  38           H        LEU  38  -5.340   5.186  -9.443
   50    HA   LEU  38           HA       LEU  38  -3.620   3.540  -7.973
   51    HB2  LEU  38           HB2      LEU  38  -6.161   4.288  -7.803
   52    HB3  LEU  38           HB3      LEU  38  -6.469   2.689  -8.482
   53    HG   LEU  38           HG       LEU  38  -5.116   3.482  -5.911
   54   HD11  LEU  38          HD11      LEU  38  -6.979   2.265  -4.831
   55   HD12  LEU  38          HD12      LEU  38  -7.667   1.916  -6.429
   56   HD13  LEU  38          HD13      LEU  38  -7.544   3.592  -5.842
   57   HD21  LEU  38          HD21      LEU  38  -3.923   1.472  -6.597
   58   HD22  LEU  38          HD22      LEU  38  -5.452   0.662  -7.022
   59   HD23  LEU  38          HD23      LEU  38  -5.060   1.021  -5.329
   60    H    GLY  39           H        GLY  39  -5.384   2.739 -10.995
   61    HA2  GLY  39           HA2      GLY  39  -4.880   0.046 -11.279
   62    HA3  GLY  39           HA3      GLY  39  -4.868   1.173 -12.631
   63    H    LYS  40           H        LYS  40  -2.586   2.649 -12.329
   64    HA   LYS  40           HA       LYS  40  -0.449   0.797 -12.973
   65    HB2  LYS  40           HB2      LYS  40  -0.518   3.813 -12.537
   66    HB3  LYS  40           HB3      LYS  40   0.897   2.941 -13.111
   67    HG2  LYS  40           HG2      LYS  40  -1.788   3.135 -14.539
   68    HG3  LYS  40           HG3      LYS  40  -0.311   3.982 -14.960
   69    HD2  LYS  40           HD2      LYS  40   0.786   1.761 -15.416
   70    HD3  LYS  40           HD3      LYS  40  -0.775   0.968 -15.097
   71    HE2  LYS  40           HE2      LYS  40  -1.807   2.350 -16.916
   72    HE3  LYS  40           HE3      LYS  40  -0.198   2.991 -17.291
   73    HZ1  LYS  40           HZ1      LYS  40  -0.714   1.147 -18.730
   74    HZ2  LYS  40           HZ2      LYS  40  -1.040   0.140 -17.479
   75    HZ3  LYS  40           HZ3      LYS  40   0.490   0.644 -17.741
   76    H    LEU  41           H        LEU  41  -1.232   2.600 -10.003
   77    HA   LEU  41           HA       LEU  41   1.182   1.879  -8.629
   78    HB2  LEU  41           HB2      LEU  41  -0.240   3.605  -7.734
   79    HB3  LEU  41           HB3      LEU  41  -1.604   2.493  -7.608
   80    HG   LEU  41           HG       LEU  41  -0.442   1.198  -5.871
   81   HD11  LEU  41          HD11      LEU  41   1.956   1.737  -6.498
   82   HD12  LEU  41          HD12      LEU  41   1.565   1.963  -4.795
   83   HD13  LEU  41          HD13      LEU  41   1.678   3.380  -5.846
   84   HD21  LEU  41          HD21      LEU  41  -0.514   4.174  -5.295
   85   HD22  LEU  41          HD22      LEU  41  -0.532   2.853  -4.099
   86   HD23  LEU  41          HD23      LEU  41  -1.893   3.053  -5.235
   87    H    ASP  42           H        ASP  42  -1.926   0.097  -8.947
   88    HA   ASP  42           HA       ASP  42  -1.175  -2.152  -7.332
   89    HB2  ASP  42           HB2      ASP  42  -3.466  -1.777  -7.885
   90    HB3  ASP  42           HB3      ASP  42  -3.137  -1.694  -9.609
   91    H    GLU  43           H        GLU  43  -0.462  -1.473 -10.728
   92    HA   GLU  43           HA       GLU  43   0.755  -4.039 -11.328
   93    HB2  GLU  43           HB2      GLU  43  -0.014  -2.419 -13.038
   94    HB3  GLU  43           HB3      GLU  43   1.197  -1.268 -12.502
   95    HG2  GLU  43           HG2      GLU  43   2.996  -2.905 -13.146
   96    HG3  GLU  43           HG3      GLU  43   1.735  -3.959 -13.804
   97    H    ARG  44           H        ARG  44   2.072  -0.913 -10.049
   98    HA   ARG  44           HA       ARG  44   4.781  -1.877  -9.777
   99    HB2  ARG  44           HB2      ARG  44   3.240   0.393  -8.437
  100    HB3  ARG  44           HB3      ARG  44   4.903  -0.004  -8.067
  101    HG2  ARG  44           HG2      ARG  44   5.321   0.200 -10.643
  102    HG3  ARG  44           HG3      ARG  44   3.769   1.040 -10.663
  103    HD2  ARG  44           HD2      ARG  44   6.299   1.794  -9.141
  104    HD3  ARG  44           HD3      ARG  44   5.616   2.663 -10.501
  105    HE   ARG  44           HE       ARG  44   4.937   2.944  -7.732
  106   HH11  ARG  44          HH11      ARG  44   3.470   3.396 -10.930
  107   HH12  ARG  44          HH12      ARG  44   2.083   4.225 -10.206
  108   HH21  ARG  44          HH21      ARG  44   3.308   4.226  -7.025
  109   HH22  ARG  44          HH22      ARG  44   2.223   4.982  -8.144
  110    H    LEU  45           H        LEU  45   2.058  -1.763  -7.392
  111    HA   LEU  45           HA       LEU  45   3.654  -2.841  -5.284
  112    HB2  LEU  45           HB2      LEU  45   0.653  -2.770  -5.720
  113    HB3  LEU  45           HB3      LEU  45   1.399  -3.340  -4.229
  114    HG   LEU  45           HG       LEU  45   1.808  -0.544  -5.387
  115   HD11  LEU  45          HD11      LEU  45   0.054  -1.516  -3.113
  116   HD12  LEU  45          HD12      LEU  45  -0.498  -0.876  -4.668
  117   HD13  LEU  45          HD13      LEU  45   0.355   0.184  -3.527
  118   HD21  LEU  45          HD21      LEU  45   2.649  -1.749  -2.727
  119   HD22  LEU  45          HD22      LEU  45   2.673  -0.019  -3.105
  120   HD23  LEU  45          HD23      LEU  45   3.712  -1.116  -4.006
  121    H    ARG  46           H        ARG  46   1.770  -4.599  -7.789
  122    HA   ARG  46           HA       ARG  46   2.285  -7.256  -6.739
  123    HB2  ARG  46           HB2      ARG  46   1.712  -6.133  -9.515
  124    HB3  ARG  46           HB3      ARG  46   1.956  -7.854  -9.219
  125    HG2  ARG  46           HG2      ARG  46   0.020  -8.055  -7.860
  126    HG3  ARG  46           HG3      ARG  46  -0.117  -6.313  -7.666
  127    HD2  ARG  46           HD2      ARG  46  -0.549  -6.111 -10.142
  128    HD3  ARG  46           HD3      ARG  46  -0.619  -7.869 -10.228
  129    HE   ARG  46           HE       ARG  46  -2.635  -6.007  -9.203
  130   HH11  ARG  46          HH11      ARG  46  -1.709  -9.437  -9.089
  131   HH12  ARG  46          HH12      ARG  46  -3.323  -9.882  -8.571
  132   HH21  ARG  46          HH21      ARG  46  -4.675  -6.832  -8.883
  133   HH22  ARG  46          HH22      ARG  46  -4.878  -8.529  -8.474
  134    H    ASN  47           H        ASN  47   4.181  -5.010  -8.754
  135    HA   ASN  47           HA       ASN  47   6.336  -6.922  -9.239
  136    HB2  ASN  47           HB2      ASN  47   5.920  -3.972  -9.738
  137    HB3  ASN  47           HB3      ASN  47   7.556  -4.599  -9.690
  138   HD21  ASN  47          HD21      ASN  47   4.426  -4.867 -11.385
  139   HD22  ASN  47          HD22      ASN  47   5.115  -5.733 -12.767
  140    H    TYR  48           H        TYR  48   5.966  -4.233  -6.826
  141    HA   TYR  48           HA       TYR  48   8.320  -4.658  -5.337
  142    HB2  TYR  48           HB2      TYR  48   5.539  -3.741  -4.654
  143    HB3  TYR  48           HB3      TYR  48   6.644  -4.047  -3.385
  144    HD1  TYR  48           HD1      TYR  48   6.413  -1.928  -6.507
  145    HD2  TYR  48           HD2      TYR  48   7.896  -2.310  -2.499
  146    HE1  TYR  48           HE1      TYR  48   6.755   0.524  -6.411
  147    HE2  TYR  48           HE2      TYR  48   8.380   0.120  -2.453
  148    HH   TYR  48           HH       TYR  48   7.553   2.291  -5.169
  149    H    LEU  49           H        LEU  49   5.141  -6.336  -5.026
  150    HA   LEU  49           HA       LEU  49   5.953  -7.942  -2.821
  151    HB2  LEU  49           HB2      LEU  49   3.706  -7.913  -4.833
  152    HB3  LEU  49           HB3      LEU  49   3.998  -9.458  -4.077
  153    HG   LEU  49           HG       LEU  49   3.565  -6.931  -2.479
  154   HD11  LEU  49          HD11      LEU  49   1.628  -9.169  -3.275
  155   HD12  LEU  49          HD12      LEU  49   1.525  -7.466  -3.777
  156   HD13  LEU  49          HD13      LEU  49   1.270  -7.925  -2.080
  157   HD21  LEU  49          HD21      LEU  49   3.510  -9.874  -1.722
  158   HD22  LEU  49          HD22      LEU  49   3.059  -8.524  -0.650
  159   HD23  LEU  49          HD23      LEU  49   4.715  -8.675  -1.228
  160    H    LYS  50           H        LYS  50   5.730  -8.996  -6.267
  161    HA   LYS  50           HA       LYS  50   6.724 -11.616  -5.613
  162    HB2  LYS  50           HB2      LYS  50   6.810 -10.139  -8.266
  163    HB3  LYS  50           HB3      LYS  50   7.112 -11.870  -8.007
  164    HG2  LYS  50           HG2      LYS  50   4.851 -12.271  -7.269
  165    HG3  LYS  50           HG3      LYS  50   4.454 -10.550  -7.300
  166    HD2  LYS  50           HD2      LYS  50   5.232 -12.197  -9.743
  167    HD3  LYS  50           HD3      LYS  50   3.587 -11.800  -9.276
  168    HE2  LYS  50           HE2      LYS  50   4.085  -9.382  -9.437
  169    HE3  LYS  50           HE3      LYS  50   5.740  -9.739  -9.955
  170    HZ1  LYS  50           HZ1      LYS  50   3.333 -10.666 -11.417
  171    HZ2  LYS  50           HZ2      LYS  50   4.873 -10.751 -11.959
  172    HZ3  LYS  50           HZ3      LYS  50   4.095  -9.289 -11.770
  173    H    LYS  51           H        LYS  51   8.444  -8.720  -6.805
  174    HA   LYS  51           HA       LYS  51  11.073 -10.007  -6.805
  175    HB2  LYS  51           HB2      LYS  51  10.250  -7.116  -6.938
  176    HB3  LYS  51           HB3      LYS  51  11.889  -7.730  -7.229
  177    HG2  LYS  51           HG2      LYS  51  10.825  -9.105  -9.120
  178    HG3  LYS  51           HG3      LYS  51   9.367  -8.131  -8.838
  179    HD2  LYS  51           HD2      LYS  51  11.142  -6.116  -9.069
  180    HD3  LYS  51           HD3      LYS  51  12.031  -7.323 -10.001
  181    HE2  LYS  51           HE2      LYS  51  10.057  -7.670 -11.456
  182    HE3  LYS  51           HE3      LYS  51   9.103  -6.597 -10.417
  183    HZ1  LYS  51           HZ1      LYS  51  11.418  -5.733 -12.061
  184    HZ2  LYS  51           HZ2      LYS  51  10.514  -4.759 -11.047
  185    HZ3  LYS  51           HZ3      LYS  51   9.865  -5.411 -12.384
  186    H    GLY  52           H        GLY  52   9.119  -8.674  -4.257
  187    HA2  GLY  52           HA2      GLY  52  11.469  -7.906  -2.653
  188    HA3  GLY  52           HA3      GLY  52   9.786  -7.496  -2.387
  189    H    THR  53           H        THR  53   8.757 -10.340  -2.521
  190    HA   THR  53           HA       THR  53   9.435 -10.902   0.302
  191    HB   THR  53           HB       THR  53   7.199 -11.647   0.490
  192    HG1  THR  53           HG1      THR  53   6.861 -10.971  -2.278
  193   HG21  THR  53          HG21      THR  53   6.048  -9.622   0.349
  194   HG22  THR  53          HG22      THR  53   7.016  -9.052  -1.043
  195   HG23  THR  53          HG23      THR  53   7.749  -9.178   0.557
  196    H    LYS  54           H        LYS  54   8.764 -13.118   1.048
  197    HA   LYS  54           HA       LYS  54  10.293 -15.098  -0.317
  198    HB2  LYS  54           HB2      LYS  54   8.216 -15.448   1.876
  199    HB3  LYS  54           HB3      LYS  54   9.344 -16.685   1.320
  200    HG2  LYS  54           HG2      LYS  54  11.263 -15.163   1.925
  201    HG3  LYS  54           HG3      LYS  54  10.084 -14.028   2.624
  202    HD2  LYS  54           HD2      LYS  54   9.275 -15.829   4.132
  203    HD3  LYS  54           HD3      LYS  54  10.508 -16.922   3.464
  204    HE2  LYS  54           HE2      LYS  54  12.281 -15.308   4.206
  205    HE3  LYS  54           HE3      LYS  54  11.012 -14.286   4.912
  206    HZ1  LYS  54           HZ1      LYS  54  11.938 -15.722   6.606
  207    HZ2  LYS  54           HZ2      LYS  54  11.613 -17.082   5.696
  208    HZ3  LYS  54           HZ3      LYS  54  10.383 -16.185   6.308
  209    H    ASN  55           H        ASN  55   6.714 -14.692  -0.089
  210    HA   ASN  55           HA       ASN  55   6.525 -16.460  -2.461
  211    HB2  ASN  55           HB2      ASN  55   4.365 -16.312  -0.321
  212    HB3  ASN  55           HB3      ASN  55   4.610 -17.600  -1.477
  213   HD21  ASN  55          HD21      ASN  55   3.853 -18.099   0.912
  214   HD22  ASN  55          HD22      ASN  55   5.111 -18.488   2.079
  215    H    SER  56           H        SER  56   5.075 -13.736  -0.903
  216    HA   SER  56           HA       SER  56   3.386 -12.305  -1.395
  217    HB2  SER  56           HB2      SER  56   4.563 -11.641  -3.315
  218    HB3  SER  56           HB3      SER  56   4.083 -13.067  -4.237
  219    HG   SER  56           HG       SER  56   2.153 -12.316  -4.570
  220    H    ALA  57           H        ALA  57   2.869 -15.490  -2.879
  221    HA   ALA  57           HA       ALA  57   0.202 -15.255  -3.545
  222    HB1  ALA  57           HB1      ALA  57   0.280 -17.711  -3.742
  223    HB2  ALA  57           HB2      ALA  57   1.758 -17.751  -2.761
  224    HB3  ALA  57           HB3      ALA  57   1.769 -16.974  -4.359
  225    H    GLN  58           H        GLN  58   1.210 -15.390  -0.283
  226    HA   GLN  58           HA       GLN  58  -1.344 -16.603   0.613
  227    HB2  GLN  58           HB2      GLN  58  -0.379 -16.560   2.834
  228    HB3  GLN  58           HB3      GLN  58   0.601 -17.467   1.682
  229    HG2  GLN  58           HG2      GLN  58   2.230 -15.685   1.526
  230    HG3  GLN  58           HG3      GLN  58   1.300 -14.640   2.552
  231   HE21  GLN  58          HE21      GLN  58   3.946 -15.370   3.179
  232   HE22  GLN  58          HE22      GLN  58   3.961 -16.499   4.543
  233    H    PHE  59           H        PHE  59  -0.222 -13.447  -0.103
  234    HA   PHE  59           HA       PHE  59  -1.858 -12.051   1.863
  235    HB2  PHE  59           HB2      PHE  59  -0.645 -11.077  -0.728
  236    HB3  PHE  59           HB3      PHE  59  -1.462 -10.071   0.467
  237    HD1  PHE  59           HD1      PHE  59  -0.563 -10.533   3.026
  238    HD2  PHE  59           HD2      PHE  59   1.703 -11.007  -0.603
  239    HE1  PHE  59           HE1      PHE  59   1.537 -10.361   4.324
  240    HE2  PHE  59           HE2      PHE  59   3.813 -10.864   0.710
  241    HZ   PHE  59           HZ       PHE  59   3.719 -10.564   3.162
  242    H    GLU  60           H        GLU  60  -3.801 -11.126   1.663
  243    HA   GLU  60           HA       GLU  60  -5.645 -12.202  -0.458
  244    HB2  GLU  60           HB2      GLU  60  -5.945 -13.415   1.554
  245    HB3  GLU  60           HB3      GLU  60  -5.834 -11.965   2.557
  246    HG2  GLU  60           HG2      GLU  60  -7.988 -11.166   1.675
  247    HG3  GLU  60           HG3      GLU  60  -8.125 -12.623   0.667
  248    H    LYS  61           H        LYS  61  -4.946  -9.462   1.744
  249    HA   LYS  61           HA       LYS  61  -5.843  -7.720  -0.414
  250    HB2  LYS  61           HB2      LYS  61  -7.273  -6.299   0.798
  251    HB3  LYS  61           HB3      LYS  61  -7.895  -7.924   0.975
  252    HG2  LYS  61           HG2      LYS  61  -7.298  -8.010   3.297
  253    HG3  LYS  61           HG3      LYS  61  -6.207  -6.630   3.159
  254    HD2  LYS  61           HD2      LYS  61  -7.884  -5.071   3.080
  255    HD3  LYS  61           HD3      LYS  61  -9.078  -6.155   2.391
  256    HE2  LYS  61           HE2      LYS  61  -8.069  -6.668   5.187
  257    HE3  LYS  61           HE3      LYS  61  -9.206  -5.353   4.908
  258    HZ1  LYS  61           HZ1      LYS  61  -9.712  -8.171   4.148
  259    HZ2  LYS  61           HZ2      LYS  61 -10.777  -6.914   3.967
  260    HZ3  LYS  61           HZ3      LYS  61 -10.354  -7.449   5.456
  261    H    MET  62           H        MET  62  -5.371  -5.463   0.014
  262    HA   MET  62           HA       MET  62  -3.133  -4.913   1.845
  263    HB2  MET  62           HB2      MET  62  -1.758  -3.917   0.138
  264    HB3  MET  62           HB3      MET  62  -2.107  -5.587  -0.316
  265    HG2  MET  62           HG2      MET  62  -3.704  -4.894  -1.982
  266    HG3  MET  62           HG3      MET  62  -3.669  -3.221  -1.405
  267    HE1  MET  62           HE1      MET  62  -3.265  -3.996  -4.547
  268    HE2  MET  62           HE2      MET  62  -2.103  -2.693  -4.855
  269    HE3  MET  62           HE3      MET  62  -3.478  -2.405  -3.770
  270    H    VAL  63           H        VAL  63  -2.690  -2.618   2.044
  271    HA   VAL  63           HA       VAL  63  -4.905  -0.804   1.285
  272    HB   VAL  63           HB       VAL  63  -5.282  -1.798   3.583
  273   HG11  VAL  63          HG11      VAL  63  -2.798  -1.740   4.122
  274   HG12  VAL  63          HG12      VAL  63  -3.992  -1.383   5.378
  275   HG13  VAL  63          HG13      VAL  63  -3.067  -0.058   4.584
  276   HG21  VAL  63          HG21      VAL  63  -5.829   0.281   4.700
  277   HG22  VAL  63          HG22      VAL  63  -6.339   0.327   3.008
  278   HG23  VAL  63          HG23      VAL  63  -4.883   1.214   3.524
  279    H    ILE  64           H        ILE  64  -4.314   1.287   0.966
  280    HA   ILE  64           HA       ILE  64  -1.369   1.817   0.670
  281    HB   ILE  64           HB       ILE  64  -3.755   2.452  -1.099
  282   HG12  ILE  64          HG12      ILE  64  -1.344   0.782  -1.887
  283   HG13  ILE  64          HG13      ILE  64  -2.738   0.040  -1.113
  284   HG21  ILE  64          HG21      ILE  64  -2.207   3.474  -2.681
  285   HG22  ILE  64          HG22      ILE  64  -0.825   3.142  -1.606
  286   HG23  ILE  64          HG23      ILE  64  -2.087   4.311  -1.154
  287   HD11  ILE  64          HD11      ILE  64  -2.861   1.572  -3.731
  288   HD12  ILE  64          HD12      ILE  64  -4.226   0.801  -2.896
  289   HD13  ILE  64          HD13      ILE  64  -2.891  -0.182  -3.529
  290    H    LEU  65           H        LEU  65  -0.684   3.535   1.790
  291    HA   LEU  65           HA       LEU  65  -2.583   5.658   2.653
  292    HB2  LEU  65           HB2      LEU  65  -0.328   4.142   4.020
  293    HB3  LEU  65           HB3      LEU  65  -0.680   5.790   4.492
  294    HG   LEU  65           HG       LEU  65  -3.072   5.153   4.775
  295   HD11  LEU  65          HD11      LEU  65  -3.349   3.084   3.706
  296   HD12  LEU  65          HD12      LEU  65  -3.486   2.738   5.414
  297   HD13  LEU  65          HD13      LEU  65  -1.971   2.348   4.569
  298   HD21  LEU  65          HD21      LEU  65  -1.140   3.743   6.679
  299   HD22  LEU  65          HD22      LEU  65  -2.779   4.267   7.045
  300   HD23  LEU  65          HD23      LEU  65  -1.532   5.475   6.711
  301    H    THR  66           H        THR  66  -2.281   7.469   1.534
  302    HA   THR  66           HA       THR  66   0.435   8.114   0.449
  303    HB   THR  66           HB       THR  66  -0.652   9.399  -1.263
  304    HG1  THR  66           HG1      THR  66  -2.426  10.170  -0.118
  305   HG21  THR  66          HG21      THR  66  -1.813   7.731  -2.536
  306   HG22  THR  66          HG22      THR  66  -2.178   6.782  -1.079
  307   HG23  THR  66          HG23      THR  66  -0.498   6.939  -1.649
  308    H    GLU  67           H        GLU  67   0.796  10.562   0.093
  309    HA   GLU  67           HA       GLU  67   0.359  12.231   2.358
  310    HB2  GLU  67           HB2      GLU  67   0.259  13.275  -0.470
  311    HB3  GLU  67           HB3      GLU  67   0.761  14.120   0.972
  312    HG2  GLU  67           HG2      GLU  67   2.850  12.888   1.064
  313    HG3  GLU  67           HG3      GLU  67   2.340  11.823  -0.250
  314    H    ASN  68           H        ASN  68  -1.149  14.104   2.494
  315    HA   ASN  68           HA       ASN  68  -3.165  15.115   2.533
  316    HB2  ASN  68           HB2      ASN  68  -3.488  14.016  -0.271
  317    HB3  ASN  68           HB3      ASN  68  -4.213  15.477   0.369
  318   HD21  ASN  68          HD21      ASN  68  -2.205  14.876  -1.871
  319   HD22  ASN  68          HD22      ASN  68  -0.808  15.901  -1.490
  320    H    LYS  69           H        LYS  69  -3.160  12.494   3.666
  321    HA   LYS  69           HA       LYS  69  -4.521  11.021   4.667
  322    HB2  LYS  69           HB2      LYS  69  -6.613  13.165   4.144
  323    HB3  LYS  69           HB3      LYS  69  -6.781  11.832   5.294
  324    HG2  LYS  69           HG2      LYS  69  -4.857  12.576   6.574
  325    HG3  LYS  69           HG3      LYS  69  -4.484  13.834   5.404
  326    HD2  LYS  69           HD2      LYS  69  -6.580  15.008   5.906
  327    HD3  LYS  69           HD3      LYS  69  -6.989  13.767   7.125
  328    HE2  LYS  69           HE2      LYS  69  -4.868  14.221   8.302
  329    HE3  LYS  69           HE3      LYS  69  -4.428  15.414   7.064
  330    HZ1  LYS  69           HZ1      LYS  69  -5.318  16.503   9.007
  331    HZ2  LYS  69           HZ2      LYS  69  -6.718  15.634   8.948
  332    HZ3  LYS  69           HZ3      LYS  69  -6.343  16.738   7.750
  333    H    GLY  70           H        GLY  70  -4.212  10.794   1.737
  334    HA2  GLY  70           HA2      GLY  70  -6.518   9.290   0.781
  335    HA3  GLY  70           HA3      GLY  70  -4.893   9.222   0.117
  336    H    TYR  71           H        TYR  71  -7.156   7.406   1.396
  337    HA   TYR  71           HA       TYR  71  -5.325   5.286   2.341
  338    HB2  TYR  71           HB2      TYR  71  -6.116   6.461   4.362
  339    HB3  TYR  71           HB3      TYR  71  -7.779   6.186   3.883
  340    HD1  TYR  71           HD1      TYR  71  -8.411   3.585   3.488
  341    HD2  TYR  71           HD2      TYR  71  -5.186   5.002   6.007
  342    HE1  TYR  71           HE1      TYR  71  -8.555   1.534   4.864
  343    HE2  TYR  71           HE2      TYR  71  -5.454   3.032   7.446
  344    HH   TYR  71           HH       TYR  71  -6.785   1.244   7.940
  345    H    TYR  72           H        TYR  72  -5.784   3.550   1.115
  346    HA   TYR  72           HA       TYR  72  -8.527   3.146  -0.036
  347    HB2  TYR  72           HB2      TYR  72  -5.909   2.925  -1.568
  348    HB3  TYR  72           HB3      TYR  72  -7.520   2.718  -2.209
  349    HD1  TYR  72           HD1      TYR  72  -8.960   4.667  -2.675
  350    HD2  TYR  72           HD2      TYR  72  -4.939   5.142  -1.185
  351    HE1  TYR  72           HE1      TYR  72  -8.971   7.040  -3.406
  352    HE2  TYR  72           HE2      TYR  72  -4.943   7.522  -1.945
  353    HH   TYR  72           HH       TYR  72  -7.847   8.993  -3.443
  354    H    THR  73           H        THR  73  -9.141   0.974  -0.212
  355    HA   THR  73           HA       THR  73  -7.083  -1.090   0.522
  356    HB   THR  73           HB       THR  73  -8.645  -0.797   2.327
  357    HG1  THR  73           HG1      THR  73  -9.254  -2.950   2.469
  358   HG21  THR  73          HG21      THR  73 -10.841  -1.694   0.415
  359   HG22  THR  73          HG22      THR  73 -10.679  -0.069   1.129
  360   HG23  THR  73          HG23      THR  73 -10.983  -1.449   2.171
  361    H    VAL  74           H        VAL  74  -7.019  -3.005  -0.522
  362    HA   VAL  74           HA       VAL  74  -8.551  -3.384  -3.060
  363    HB   VAL  74           HB       VAL  74  -5.535  -3.067  -2.777
  364   HG11  VAL  74          HG11      VAL  74  -5.781  -5.007  -4.179
  365   HG12  VAL  74          HG12      VAL  74  -5.458  -3.644  -5.242
  366   HG13  VAL  74          HG13      VAL  74  -7.112  -4.257  -5.083
  367   HG21  VAL  74          HG21      VAL  74  -7.560  -1.669  -4.569
  368   HG22  VAL  74          HG22      VAL  74  -5.801  -1.430  -4.619
  369   HG23  VAL  74          HG23      VAL  74  -6.708  -0.954  -3.184
  370    H    TYR  75           H        TYR  75  -9.077  -5.520  -3.314
  371    HA   TYR  75           HA       TYR  75  -7.800  -7.529  -1.529
  372    HB2  TYR  75           HB2      TYR  75 -10.356  -7.565  -3.153
  373    HB3  TYR  75           HB3      TYR  75  -9.700  -8.957  -2.308
  374    HD1  TYR  75           HD1      TYR  75 -10.934  -5.437  -1.747
  375    HD2  TYR  75           HD2      TYR  75 -10.130  -9.310  -0.012
  376    HE1  TYR  75           HE1      TYR  75 -11.904  -4.670   0.411
  377    HE2  TYR  75           HE2      TYR  75 -11.155  -8.551   2.122
  378    HH   TYR  75           HH       TYR  75 -12.322  -5.203   2.617
  379    H    LEU  76           H        LEU  76  -6.360  -8.908  -2.282
  380    HA   LEU  76           HA       LEU  76  -5.379  -8.578  -5.034
  381    HB2  LEU  76           HB2      LEU  76  -4.376 -10.026  -2.553
  382    HB3  LEU  76           HB3      LEU  76  -3.519 -10.077  -4.085
  383    HG   LEU  76           HG       LEU  76  -4.186  -7.454  -2.678
  384   HD11  LEU  76          HD11      LEU  76  -2.753  -8.795  -1.221
  385   HD12  LEU  76          HD12      LEU  76  -1.849  -7.442  -1.927
  386   HD13  LEU  76          HD13      LEU  76  -1.622  -9.082  -2.571
  387   HD21  LEU  76          HD21      LEU  76  -2.183  -8.149  -4.880
  388   HD22  LEU  76          HD22      LEU  76  -2.354  -6.564  -4.107
  389   HD23  LEU  76          HD23      LEU  76  -3.670  -7.201  -5.091
  390    H    ASN  77           H        ASN  77  -7.498 -10.769  -3.564
  391    HA   ASN  77           HA       ASN  77  -6.947 -13.217  -4.866
  392    HB2  ASN  77           HB2      ASN  77  -9.660 -12.054  -4.113
  393    HB3  ASN  77           HB3      ASN  77  -9.300 -13.758  -4.346
  394   HD21  ASN  77          HD21      ASN  77 -10.474 -12.443  -2.052
  395   HD22  ASN  77          HD22      ASN  77  -9.387 -12.764  -0.701
  396    H    THR  78           H        THR  78  -8.044 -10.301  -6.405
  397    HA   THR  78           HA       THR  78  -9.031 -11.694  -8.817
  398    HB   THR  78           HB       THR  78 -10.997 -10.135  -8.816
  399    HG1  THR  78           HG1      THR  78 -10.389  -8.522  -7.519
  400   HG21  THR  78          HG21      THR  78 -11.281 -12.431  -7.856
  401   HG22  THR  78          HG22      THR  78 -10.966 -11.758  -6.242
  402   HG23  THR  78          HG23      THR  78 -12.377 -11.215  -7.168
  403    HA   PRO  79           HA       PRO  79  -7.089  -8.188 -10.884
  404    HB2  PRO  79           HB2      PRO  79  -8.724  -7.952 -13.082
  405    HB3  PRO  79           HB3      PRO  79  -7.542  -9.283 -12.879
  406    HG2  PRO  79           HG2      PRO  79 -10.472  -9.314 -12.166
  407    HG3  PRO  79           HG3      PRO  79  -9.587 -10.500 -13.201
  408    HD2  PRO  79           HD2      PRO  79 -10.109 -10.937 -10.612
  409    HD3  PRO  79           HD3      PRO  79  -8.504 -11.386 -11.225
  410    H    LEU  80           H        LEU  80  -7.424  -5.963 -11.206
  411    HA   LEU  80           HA       LEU  80  -9.412  -4.599  -9.701
  412    HB2  LEU  80           HB2      LEU  80  -8.396  -2.641 -10.453
  413    HB3  LEU  80           HB3      LEU  80  -7.095  -3.811 -10.342
  414    HG   LEU  80           HG       LEU  80  -8.427  -2.760 -12.879
  415   HD11  LEU  80          HD11      LEU  80  -6.933  -1.165 -11.788
  416   HD12  LEU  80          HD12      LEU  80  -6.156  -1.791 -13.258
  417   HD13  LEU  80          HD13      LEU  80  -5.656  -2.394 -11.674
  418   HD21  LEU  80          HD21      LEU  80  -6.660  -3.933 -14.142
  419   HD22  LEU  80          HD22      LEU  80  -7.702  -5.081 -13.316
  420   HD23  LEU  80          HD23      LEU  80  -6.090  -4.698 -12.660
  421    H    ALA  81           H        ALA  81 -11.002  -3.050 -10.406
  422    HA   ALA  81           HA       ALA  81 -12.282  -3.522 -13.054
  423    HB1  ALA  81           HB1      ALA  81 -13.132  -1.799 -10.686
  424    HB2  ALA  81           HB2      ALA  81 -13.694  -3.459 -10.999
  425    HB3  ALA  81           HB3      ALA  81 -14.092  -2.159 -12.133
  426    H    GLU  82           H        GLU  82 -12.846  -1.614 -14.338
  427    HA   GLU  82           HA       GLU  82 -10.638   0.037 -15.018
  428    HB2  GLU  82           HB2      GLU  82 -13.589   0.480 -15.580
  429    HB3  GLU  82           HB3      GLU  82 -12.277   1.321 -16.394
  430    HG2  GLU  82           HG2      GLU  82 -12.667  -1.695 -16.476
  431    HG3  GLU  82           HG3      GLU  82 -13.331  -0.575 -17.656
  432    H    ASP  83           H        ASP  83 -13.045   0.597 -12.544
  433    HA   ASP  83           HA       ASP  83 -12.953   3.429 -12.333
  434    HB2  ASP  83           HB2      ASP  83 -14.582   1.974 -11.166
  435    HB3  ASP  83           HB3      ASP  83 -13.274   1.282 -10.195
  436    H    ARG  84           H        ARG  84 -10.872   0.898 -10.944
  437    HA   ARG  84           HA       ARG  84  -9.143   2.676  -9.424
  438    HB2  ARG  84           HB2      ARG  84  -8.777  -0.184 -10.423
  439    HB3  ARG  84           HB3      ARG  84  -7.652   0.675  -9.384
  440    HG2  ARG  84           HG2      ARG  84  -9.573   0.987  -7.713
  441    HG3  ARG  84           HG3      ARG  84 -10.503  -0.144  -8.720
  442    HD2  ARG  84           HD2      ARG  84  -8.609  -1.788  -8.482
  443    HD3  ARG  84           HD3      ARG  84  -7.837  -0.680  -7.334
  444    HE   ARG  84           HE       ARG  84 -10.069  -0.931  -6.020
  445   HH11  ARG  84          HH11      ARG  84  -8.187  -3.570  -7.429
  446   HH12  ARG  84          HH12      ARG  84  -9.151  -4.758  -6.569
  447   HH21  ARG  84          HH21      ARG  84 -11.310  -2.554  -5.199
  448   HH22  ARG  84          HH22      ARG  84 -10.730  -4.218  -5.308
  449    H    LYS  85           H        LYS  85  -9.138   1.453 -12.732
  450    HA   LYS  85           HA       LYS  85  -6.493   2.403 -13.455
  451    HB2  LYS  85           HB2      LYS  85  -8.891   1.875 -15.251
  452    HB3  LYS  85           HB3      LYS  85  -7.235   2.148 -15.784
  453    HG2  LYS  85           HG2      LYS  85  -6.503   0.127 -14.517
  454    HG3  LYS  85           HG3      LYS  85  -8.199  -0.183 -14.079
  455    HD2  LYS  85           HD2      LYS  85  -8.742  -0.237 -16.544
  456    HD3  LYS  85           HD3      LYS  85  -7.000  -0.145 -16.883
  457    HE2  LYS  85           HE2      LYS  85  -6.613  -2.237 -15.666
  458    HE3  LYS  85           HE3      LYS  85  -8.298  -2.275 -15.127
  459    HZ1  LYS  85           HZ1      LYS  85  -8.010  -3.751 -16.981
  460    HZ2  LYS  85           HZ2      LYS  85  -7.390  -2.589 -17.935
  461    HZ3  LYS  85           HZ3      LYS  85  -8.975  -2.505 -17.438
  462    H    ASN  86           H        ASN  86  -9.290   4.099 -12.696
  463    HA   ASN  86           HA       ASN  86  -8.368   6.579 -14.096
  464    HB2  ASN  86           HB2      ASN  86 -11.162   5.402 -13.744
  465    HB3  ASN  86           HB3      ASN  86 -10.873   7.065 -14.231
  466   HD21  ASN  86          HD21      ASN  86 -10.830   3.743 -15.310
  467   HD22  ASN  86          HD22      ASN  86 -10.498   4.118 -16.992
  468    H    VAL  87           H        VAL  87  -8.558   5.363 -10.921
  469    HA   VAL  87           HA       VAL  87  -9.836   7.782  -9.858
  470    HB   VAL  87           HB       VAL  87 -10.439   5.540  -9.058
  471   HG11  VAL  87          HG11      VAL  87  -9.169   4.412  -7.406
  472   HG12  VAL  87          HG12      VAL  87  -7.910   5.671  -7.413
  473   HG13  VAL  87          HG13      VAL  87  -8.136   4.626  -8.837
  474   HG21  VAL  87          HG21      VAL  87  -9.496   7.558  -6.984
  475   HG22  VAL  87          HG22      VAL  87 -10.695   6.269  -6.730
  476   HG23  VAL  87          HG23      VAL  87 -11.046   7.583  -7.860
  477    H    GLU  88           H        GLU  88  -8.803   9.507  -9.338
  478    HA   GLU  88           HA       GLU  88  -5.950   9.759  -9.655
  479    HB2  GLU  88           HB2      GLU  88  -8.174  11.668  -8.799
  480    HB3  GLU  88           HB3      GLU  88  -6.501  12.176  -9.012
  481    HG2  GLU  88           HG2      GLU  88  -8.041  10.847 -11.274
  482    HG3  GLU  88           HG3      GLU  88  -8.158  12.573 -10.941
  483    H    LEU  89           H        LEU  89  -4.698   8.872  -8.115
  484    HA   LEU  89           HA       LEU  89  -5.018   8.611  -5.364
  485    HB2  LEU  89           HB2      LEU  89  -2.560   9.110  -7.092
  486    HB3  LEU  89           HB3      LEU  89  -2.430   8.698  -5.400
  487    HG   LEU  89           HG       LEU  89  -3.841   6.915  -7.430
  488   HD11  LEU  89          HD11      LEU  89  -1.015   6.701  -6.320
  489   HD12  LEU  89          HD12      LEU  89  -1.444   7.169  -7.977
  490   HD13  LEU  89          HD13      LEU  89  -1.819   5.540  -7.404
  491   HD21  LEU  89          HD21      LEU  89  -4.525   6.461  -5.099
  492   HD22  LEU  89          HD22      LEU  89  -2.818   6.405  -4.595
  493   HD23  LEU  89          HD23      LEU  89  -3.473   5.170  -5.686
  494    H    LEU  90           H        LEU  90  -5.374  10.008  -3.780
  495    HA   LEU  90           HA       LEU  90  -5.257  12.794  -3.925
  496    HB2  LEU  90           HB2      LEU  90  -5.298  10.828  -1.634
  497    HB3  LEU  90           HB3      LEU  90  -5.214  12.552  -1.304
  498    HG   LEU  90           HG       LEU  90  -7.396  11.384  -3.072
  499   HD11  LEU  90          HD11      LEU  90  -8.858  11.512  -1.067
  500   HD12  LEU  90          HD12      LEU  90  -7.436  11.884  -0.064
  501   HD13  LEU  90          HD13      LEU  90  -7.580  10.310  -0.892
  502   HD21  LEU  90          HD21      LEU  90  -8.594  13.443  -2.446
  503   HD22  LEU  90          HD22      LEU  90  -7.078  13.830  -3.256
  504   HD23  LEU  90          HD23      LEU  90  -7.201  13.980  -1.485
  505    H    GLY  91           H        GLY  91  -2.598  10.673  -3.061
  506    HA2  GLY  91           HA2      GLY  91  -0.731  12.995  -2.991
  507    HA3  GLY  91           HA3      GLY  91  -0.861  11.931  -1.598
  508    H    LYS  92           H        LYS  92   1.546  12.205  -2.529
  509    HA   LYS  92           HA       LYS  92   2.409  10.040  -4.232
  510    HB2  LYS  92           HB2      LYS  92   3.614  12.252  -3.250
  511    HB3  LYS  92           HB3      LYS  92   4.150  11.115  -2.042
  512    HG2  LYS  92           HG2      LYS  92   5.847  10.995  -3.636
  513    HG3  LYS  92           HG3      LYS  92   4.827   9.645  -4.128
  514    HD2  LYS  92           HD2      LYS  92   5.484  10.840  -6.102
  515    HD3  LYS  92           HD3      LYS  92   3.760  11.111  -5.842
  516    HE2  LYS  92           HE2      LYS  92   4.764  13.193  -6.518
  517    HE3  LYS  92           HE3      LYS  92   4.282  13.342  -4.831
  518    HZ1  LYS  92           HZ1      LYS  92   6.497  14.228  -5.350
  519    HZ2  LYS  92           HZ2      LYS  92   6.502  13.128  -4.154
  520    HZ3  LYS  92           HZ3      LYS  92   7.054  12.692  -5.657
  521    H    MET  93           H        MET  93   3.571   8.126  -3.540
  522    HA   MET  93           HA       MET  93   1.900   6.564  -1.755
  523    HB2  MET  93           HB2      MET  93   2.757   5.810  -4.029
  524    HB3  MET  93           HB3      MET  93   4.353   5.659  -3.307
  525    HG2  MET  93           HG2      MET  93   2.990   4.147  -1.537
  526    HG3  MET  93           HG3      MET  93   1.833   4.065  -2.858
  527    HE1  MET  93           HE1      MET  93   4.832   2.667  -1.176
  528    HE2  MET  93           HE2      MET  93   5.800   3.731  -2.223
  529    HE3  MET  93           HE3      MET  93   5.872   1.965  -2.428
  530    H    TYR  94           H        TYR  94   2.681   7.926   0.219
  531    HA   TYR  94           HA       TYR  94   5.227   7.495   1.315
  532    HB2  TYR  94           HB2      TYR  94   3.772   9.183   2.219
  533    HB3  TYR  94           HB3      TYR  94   2.584   7.994   2.694
  534    HD1  TYR  94           HD1      TYR  94   6.339   8.216   3.185
  535    HD2  TYR  94           HD2      TYR  94   2.454   7.852   5.037
  536    HE1  TYR  94           HE1      TYR  94   7.419   7.950   5.396
  537    HE2  TYR  94           HE2      TYR  94   3.542   7.583   7.253
  538    HH   TYR  94           HH       TYR  94   7.114   7.603   7.641
  539    H    LYS  95           H        LYS  95   2.314   5.370   1.922
  540    HA   LYS  95           HA       LYS  95   4.212   3.154   2.475
  541    HB2  LYS  95           HB2      LYS  95   2.326   4.369   4.506
  542    HB3  LYS  95           HB3      LYS  95   2.646   2.635   4.555
  543    HG2  LYS  95           HG2      LYS  95   5.066   3.025   4.692
  544    HG3  LYS  95           HG3      LYS  95   4.779   4.790   4.736
  545    HD2  LYS  95           HD2      LYS  95   3.376   4.468   6.730
  546    HD3  LYS  95           HD3      LYS  95   3.824   2.740   6.751
  547    HE2  LYS  95           HE2      LYS  95   6.213   3.404   6.937
  548    HE3  LYS  95           HE3      LYS  95   5.733   5.108   6.964
  549    HZ1  LYS  95           HZ1      LYS  95   4.944   3.070   8.973
  550    HZ2  LYS  95           HZ2      LYS  95   4.449   4.627   8.989
  551    HZ3  LYS  95           HZ3      LYS  95   6.051   4.276   9.197
  552    H    THR  96           H        THR  96   3.261   1.056   2.780
  553    HA   THR  96           HA       THR  96   0.479   0.648   1.899
  554    HB   THR  96           HB       THR  96   2.666  -0.973   0.557
  555    HG1  THR  96           HG1      THR  96   1.673   1.510  -0.088
  556   HG21  THR  96          HG21      THR  96   0.901  -1.492  -1.051
  557   HG22  THR  96          HG22      THR  96  -0.242  -0.440  -0.196
  558   HG23  THR  96          HG23      THR  96   0.350  -1.931   0.561
  559    H    TYR  97           H        TYR  97  -0.388  -1.259   2.726
  560    HA   TYR  97           HA       TYR  97   1.392  -2.987   4.386
  561    HB2  TYR  97           HB2      TYR  97  -1.297  -2.175   5.556
  562    HB3  TYR  97           HB3      TYR  97   0.059  -2.955   6.225
  563    HD1  TYR  97           HD1      TYR  97  -0.495   0.438   4.587
  564    HD2  TYR  97           HD2      TYR  97   1.106  -1.829   7.872
  565    HE1  TYR  97           HE1      TYR  97   0.316   2.520   5.647
  566    HE2  TYR  97           HE2      TYR  97   1.866   0.244   8.948
  567    HH   TYR  97           HH       TYR  97   2.095   2.548   8.744
  568    H    PHE  98           H        PHE  98   0.762  -5.101   4.645
  569    HA   PHE  98           HA       PHE  98  -1.389  -6.090   2.796
  570    HB2  PHE  98           HB2      PHE  98   1.490  -6.978   3.098
  571    HB3  PHE  98           HB3      PHE  98   0.294  -7.793   2.114
  572    HD1  PHE  98           HD1      PHE  98   2.264  -4.618   2.422
  573    HD2  PHE  98           HD2      PHE  98  -0.200  -7.100  -0.096
  574    HE1  PHE  98           HE1      PHE  98   2.846  -3.215   0.455
  575    HE2  PHE  98           HE2      PHE  98   0.400  -5.697  -2.057
  576    HZ   PHE  98           HZ       PHE  98   1.941  -3.786  -1.794
  577    H    PHE  99           H        PHE  99  -2.365  -7.998   3.241
  578    HA   PHE  99           HA       PHE  99  -2.065  -9.097   6.018
  579    HB2  PHE  99           HB2      PHE  99  -4.616  -8.339   4.510
  580    HB3  PHE  99           HB3      PHE  99  -4.519  -8.945   6.146
  581    HD1  PHE  99           HD1      PHE  99  -3.775  -6.066   3.918
  582    HD2  PHE  99           HD2      PHE  99  -4.064  -7.397   8.001
  583    HE1  PHE  99           HE1      PHE  99  -3.432  -3.758   4.679
  584    HE2  PHE  99           HE2      PHE  99  -3.815  -5.042   8.766
  585    HZ   PHE  99           HZ       PHE  99  -3.382  -3.227   7.110
  586    H    LYS 100           H        LYS 100  -1.830 -11.298   6.037
  587    HA   LYS 100           HA       LYS 100  -2.242 -12.880   3.633
  588    HB2  LYS 100           HB2      LYS 100  -1.685 -13.701   6.490
  589    HB3  LYS 100           HB3      LYS 100  -1.661 -14.792   5.101
  590    HG2  LYS 100           HG2      LYS 100   0.267 -13.938   4.214
  591    HG3  LYS 100           HG3      LYS 100   0.136 -12.367   4.981
  592    HD2  LYS 100           HD2      LYS 100   0.546 -13.339   7.153
  593    HD3  LYS 100           HD3      LYS 100   0.675 -14.974   6.456
  594    HE2  LYS 100           HE2      LYS 100   2.648 -14.051   5.062
  595    HE3  LYS 100           HE3      LYS 100   2.568 -12.616   6.093
  596    HZ1  LYS 100           HZ1      LYS 100   3.193 -15.393   6.968
  597    HZ2  LYS 100           HZ2      LYS 100   2.850 -14.199   8.032
  598    HZ3  LYS 100           HZ3      LYS 100   4.168 -14.121   7.055
  599    H    LYS 101           H        LYS 101  -3.557 -14.845   3.599
  600    HA   LYS 101           HA       LYS 101  -6.306 -14.514   3.678
  601    HB2  LYS 101           HB2      LYS 101  -4.784 -17.098   4.184
  602    HB3  LYS 101           HB3      LYS 101  -6.501 -16.993   3.796
  603    HG2  LYS 101           HG2      LYS 101  -5.876 -15.822   1.634
  604    HG3  LYS 101           HG3      LYS 101  -4.181 -16.170   2.018
  605    HD2  LYS 101           HD2      LYS 101  -4.820 -18.636   2.148
  606    HD3  LYS 101           HD3      LYS 101  -6.413 -18.174   1.505
  607    HE2  LYS 101           HE2      LYS 101  -5.184 -17.072  -0.447
  608    HE3  LYS 101           HE3      LYS 101  -3.684 -17.758   0.199
  609    HZ1  LYS 101           HZ1      LYS 101  -4.851 -19.974   0.008
  610    HZ2  LYS 101           HZ2      LYS 101  -4.448 -19.240  -1.414
  611    HZ3  LYS 101           HZ3      LYS 101  -6.018 -19.243  -0.853
  612    H    GLY 102           H        GLY 102  -7.431 -13.608   5.318
  613    HA2  GLY 102           HA2      GLY 102  -8.843 -13.955   7.174
  614    HA3  GLY 102           HA3      GLY 102  -7.786 -15.212   7.784
  615    H    GLU 103           H        GLU 103  -5.554 -12.816   7.332
  616    HA   GLU 103           HA       GLU 103  -5.427 -12.159  10.134
  617    HB2  GLU 103           HB2      GLU 103  -4.038 -10.915   7.721
  618    HB3  GLU 103           HB3      GLU 103  -3.701 -10.476   9.396
  619    HG2  GLU 103           HG2      GLU 103  -3.136 -12.881   9.869
  620    HG3  GLU 103           HG3      GLU 103  -3.245 -13.197   8.135
  621    H    SER 104           H        SER 104  -5.461  -9.985  11.094
  622    HA   SER 104           HA       SER 104  -6.897  -7.830   9.615
  623    HB2  SER 104           HB2      SER 104  -7.913  -7.247  11.964
  624    HB3  SER 104           HB3      SER 104  -8.730  -8.281  10.829
  625    HG   SER 104           HG       SER 104  -8.170 -10.074  12.033
  626    H    LYS 105           H        LYS 105  -4.053  -8.653  11.008
  627    HA   LYS 105           HA       LYS 105  -3.409  -5.754  10.993
  628    HB2  LYS 105           HB2      LYS 105  -3.523  -6.458  13.334
  629    HB3  LYS 105           HB3      LYS 105  -2.303  -7.715  13.044
  630    HG2  LYS 105           HG2      LYS 105  -0.597  -6.181  12.815
  631    HG3  LYS 105           HG3      LYS 105  -1.635  -4.861  12.332
  632    HD2  LYS 105           HD2      LYS 105  -0.905  -4.341  14.519
  633    HD3  LYS 105           HD3      LYS 105  -2.599  -4.774  14.641
  634    HE2  LYS 105           HE2      LYS 105  -1.922  -7.066  15.378
  635    HE3  LYS 105           HE3      LYS 105  -0.228  -6.529  15.360
  636    HZ1  LYS 105           HZ1      LYS 105  -1.194  -6.313  17.592
  637    HZ2  LYS 105           HZ2      LYS 105  -2.402  -5.367  17.023
  638    HZ3  LYS 105           HZ3      LYS 105  -0.854  -4.820  16.996
  639    H    SER 106           H        SER 106  -1.559  -5.259   9.908
  640    HA   SER 106           HA       SER 106  -1.089  -7.181   7.812
  641    HB2  SER 106           HB2      SER 106   0.640  -5.250   7.133
  642    HB3  SER 106           HB3      SER 106  -1.088  -5.169   6.831
  643    HG   SER 106           HG       SER 106  -1.352  -3.898   8.670
  644    H    SER 107           H        SER 107   0.431  -8.626   7.537
  645    HA   SER 107           HA       SER 107   2.719  -8.896   9.365
  646    HB2  SER 107           HB2      SER 107   1.378 -10.851   8.614
  647    HB3  SER 107           HB3      SER 107   1.731 -10.459   6.927
  648    HG   SER 107           HG       SER 107   3.389 -11.541   8.917
  649    H    TYR 108           H        TYR 108   2.238  -7.627   6.155
  650    HA   TYR 108           HA       TYR 108   5.175  -7.127   5.905
  651    HB2  TYR 108           HB2      TYR 108   4.683  -8.971   4.493
  652    HB3  TYR 108           HB3      TYR 108   3.215  -8.224   3.895
  653    HD1  TYR 108           HD1      TYR 108   6.932  -7.686   3.934
  654    HD2  TYR 108           HD2      TYR 108   3.256  -7.301   1.766
  655    HE1  TYR 108           HE1      TYR 108   8.200  -6.903   1.906
  656    HE2  TYR 108           HE2      TYR 108   4.480  -6.482  -0.204
  657    HH   TYR 108           HH       TYR 108   6.544  -6.148  -1.150
  658    H    VAL 109           H        VAL 109   5.724  -5.165   5.321
  659    HA   VAL 109           HA       VAL 109   3.713  -3.283   4.225
  660    HB   VAL 109           HB       VAL 109   4.219  -1.534   5.744
  661   HG11  VAL 109          HG11      VAL 109   3.675  -3.971   7.434
  662   HG12  VAL 109          HG12      VAL 109   2.477  -3.090   6.432
  663   HG13  VAL 109          HG13      VAL 109   3.286  -2.270   7.795
  664   HG21  VAL 109          HG21      VAL 109   6.265  -3.301   6.969
  665   HG22  VAL 109          HG22      VAL 109   5.525  -1.941   7.865
  666   HG23  VAL 109          HG23      VAL 109   6.326  -1.607   6.334
  667    H    ILE 110           H        ILE 110   4.592  -1.276   3.519
  668    HA   ILE 110           HA       ILE 110   7.413  -1.362   2.526
  669    HB   ILE 110           HB       ILE 110   4.923  -0.938   0.869
  670   HG12  ILE 110          HG12      ILE 110   6.548  -3.463   1.187
  671   HG13  ILE 110          HG13      ILE 110   4.826  -3.251   1.369
  672   HG21  ILE 110          HG21      ILE 110   7.766  -1.409  -0.112
  673   HG22  ILE 110          HG22      ILE 110   7.016   0.206   0.034
  674   HG23  ILE 110          HG23      ILE 110   6.338  -0.949  -1.076
  675   HD11  ILE 110          HD11      ILE 110   5.091  -4.414  -0.652
  676   HD12  ILE 110          HD12      ILE 110   6.430  -3.404  -1.178
  677   HD13  ILE 110          HD13      ILE 110   4.762  -2.753  -1.161
  678    H    ASN 111           H        ASN 111   8.235   0.720   2.115
  679    HA   ASN 111           HA       ASN 111   6.458   3.042   2.627
  680    HB2  ASN 111           HB2      ASN 111   8.407   4.150   3.698
  681    HB3  ASN 111           HB3      ASN 111   7.746   2.808   4.604
  682   HD21  ASN 111          HD21      ASN 111   9.307   1.550   5.522
  683   HD22  ASN 111          HD22      ASN 111  10.921   1.327   4.818
  684    H    GLY 112           H        GLY 112   7.148   5.008   1.715
  685    HA2  GLY 112           HA2      GLY 112   9.019   5.047  -0.558
  686    HA3  GLY 112           HA3      GLY 112   7.309   4.916  -0.989
  687    HA   PRO 113           HA       PRO 113   8.656   9.316  -0.617
  688    HB2  PRO 113           HB2      PRO 113   7.811  10.293  -2.989
  689    HB3  PRO 113           HB3      PRO 113   9.264   9.266  -2.864
  690    HG2  PRO 113           HG2      PRO 113   6.447   8.342  -3.558
  691    HG3  PRO 113           HG3      PRO 113   7.932   8.059  -4.486
  692    HD2  PRO 113           HD2      PRO 113   6.937   6.259  -2.700
  693    HD3  PRO 113           HD3      PRO 113   8.701   6.484  -2.868
  694    H    GLY 114           H        GLY 114   7.522  10.820   0.329
  695    HA2  GLY 114           HA2      GLY 114   5.249  12.110  -0.008
  696    HA3  GLY 114           HA3      GLY 114   4.586  10.636   0.698
  697    H    LYS 115           H        LYS 115   7.158  10.468   2.394
  698    HA   LYS 115           HA       LYS 115   7.816  10.839   4.512
  699    HB2  LYS 115           HB2      LYS 115   8.467  12.949   3.251
  700    HB3  LYS 115           HB3      LYS 115   7.100  13.747   4.030
  701    HG2  LYS 115           HG2      LYS 115   8.095  13.274   6.256
  702    HG3  LYS 115           HG3      LYS 115   9.444  12.424   5.474
  703    HD2  LYS 115           HD2      LYS 115  10.119  14.522   4.348
  704    HD3  LYS 115           HD3      LYS 115   8.711  15.354   5.046
  705    HE2  LYS 115           HE2      LYS 115   9.567  14.785   7.333
  706    HE3  LYS 115           HE3      LYS 115  11.024  14.106   6.589
  707    HZ1  LYS 115           HZ1      LYS 115  11.283  16.450   7.334
  708    HZ2  LYS 115           HZ2      LYS 115  10.139  16.934   6.277
  709    HZ3  LYS 115           HZ3      LYS 115  11.566  16.298   5.743
  710    H    THR 116           H        THR 116   4.507  11.853   3.995
  711    HA   THR 116           HA       THR 116   3.725  11.181   6.743
  712    HB   THR 116           HB       THR 116   4.516  13.469   7.019
  713    HG1  THR 116           HG1      THR 116   2.742  14.241   7.955
  714   HG21  THR 116          HG21      THR 116   2.515  14.321   4.885
  715   HG22  THR 116          HG22      THR 116   4.286  14.396   4.743
  716   HG23  THR 116          HG23      THR 116   3.453  15.393   5.943
  717    H    ASN 117           H        ASN 117   1.352  11.157   6.977
  718    HA   ASN 117           HA       ASN 117  -0.077  10.919   4.396
  719    HB2  ASN 117           HB2      ASN 117  -0.828  10.195   7.266
  720    HB3  ASN 117           HB3      ASN 117  -1.893  10.005   5.872
  721   HD21  ASN 117          HD21      ASN 117  -0.676   8.939   3.901
  722   HD22  ASN 117          HD22      ASN 117   0.244   7.505   4.328
  723    H    GLU 118           H        GLU 118   0.718  13.443   6.422
  724    HA   GLU 118           HA       GLU 118  -1.987  14.697   6.342
  725    HB2  GLU 118           HB2      GLU 118   0.425  15.144   8.125
  726    HB3  GLU 118           HB3      GLU 118  -1.130  15.972   8.254
  727    HG2  GLU 118           HG2      GLU 118  -2.265  14.009   8.955
  728    HG3  GLU 118           HG3      GLU 118  -0.948  12.944   8.457
  729    H    TYR 119           H        TYR 119  -2.143  15.912   4.503
  730    HA   TYR 119           HA       TYR 119  -1.756  17.451   2.960
  731    HB2  TYR 119           HB2      TYR 119  -2.628  18.405   5.225
  732    HB3  TYR 119           HB3      TYR 119  -1.075  19.201   5.331
  733    HD1  TYR 119           HD1      TYR 119  -2.581  19.032   1.911
  734    HD2  TYR 119           HD2      TYR 119  -2.470  21.213   5.644
  735    HE1  TYR 119           HE1      TYR 119  -3.716  20.933   0.836
  736    HE2  TYR 119           HE2      TYR 119  -3.635  23.118   4.544
  737    HH   TYR 119           HH       TYR 119  -4.561  23.042   1.087
  738    H    ALA 120           H        ALA 120   0.610  16.062   3.228
  739    HA   ALA 120           HA       ALA 120   2.837  15.962   2.917
  740    HB1  ALA 120           HB1      ALA 120   1.963  16.444   0.658
  741    HB2  ALA 120           HB2      ALA 120   3.621  17.030   0.867
  742    HB3  ALA 120           HB3      ALA 120   2.267  18.177   0.915
  743    H    TYR 121           H        TYR 121   2.321  17.508   5.229
  744    HA   TYR 121           HA       TYR 121   4.826  19.127   5.337
  745    HB2  TYR 121           HB2      TYR 121   2.913  20.615   4.810
  746    HB3  TYR 121           HB3      TYR 121   2.143  20.140   6.319
  747    HD1  TYR 121           HD1      TYR 121   3.306  20.680   8.521
  748    HD2  TYR 121           HD2      TYR 121   4.656  22.264   4.741
  749    HE1  TYR 121           HE1      TYR 121   4.621  22.424   9.711
  750    HE2  TYR 121           HE2      TYR 121   5.907  24.047   5.939
  751    HH   TYR 121           HH       TYR 121   6.309  25.044   7.990
  752    H1   ACE   6           H1       ACE   6  15.030   5.375  -7.624
  753    H2   ACE   6           H2       ACE   6  15.961   6.881  -7.737
  754    H3   ACE   6           H3       ACE   6  14.723   6.505  -8.962
  755    H    THR   7           H        THR   7  12.579   5.798  -7.719
  756    HA   THR   7           HA       THR   7  11.948   7.357  -5.321
  757    HB   THR   7           HB       THR   7  11.635   9.072  -6.997
  758    HG1  THR   7           HG1      THR   7   9.264   7.941  -6.037
  759   HG21  THR   7          HG21      THR   7   9.909   8.941  -8.731
  760   HG22  THR   7          HG22      THR   7   9.642   7.221  -8.376
  761   HG23  THR   7          HG23      THR   7  11.200   7.768  -9.029
  762    H    THR   8           H        THR   8  12.133   4.589  -5.792
  763    HA   THR   8           HA       THR   8   9.638   3.627  -4.844
  764    HB   THR   8           HB       THR   8   9.867   3.677  -7.757
  765    HG1  THR   8           HG1      THR   8   8.262   4.481  -6.461
  766   HG21  THR   8          HG21      THR   8   9.159   0.986  -6.561
  767   HG22  THR   8          HG22      THR   8  10.338   1.327  -7.822
  768   HG23  THR   8          HG23      THR   8   8.621   1.551  -8.154
  769    HA   PRO   9           HA       PRO   9  12.085  -0.273  -5.440
  770    HB2  PRO   9           HB2      PRO   9  14.720  -0.426  -6.161
  771    HB3  PRO   9           HB3      PRO   9  13.294  -0.378  -7.235
  772    HG2  PRO   9           HG2      PRO   9  15.025   1.960  -6.336
  773    HG3  PRO   9           HG3      PRO   9  14.589   1.516  -8.026
  774    HD2  PRO   9           HD2      PRO   9  13.215   3.397  -6.711
  775    HD3  PRO   9           HD3      PRO   9  12.345   2.189  -7.703
  776    H    ASP  10           H        ASP  10  11.593   0.130  -3.315
  777    HA   ASP  10           HA       ASP  10  13.720  -1.089  -1.652
  778    HB2  ASP  10           HB2      ASP  10  11.912   1.175  -0.661
  779    HB3  ASP  10           HB3      ASP  10  12.680   0.004   0.385
  780    H2   TYS  11           H2       TYS  11  12.894  -3.117  -1.759
  781    HA   TYS  11           HA       TYS  11   9.983  -3.449  -2.196
  782    HB2  TYS  11           HB2      TYS  11  12.243  -5.090  -3.304
  783    HB3  TYS  11           HB3      TYS  11  10.586  -5.627  -3.228
  784    HD1  TYS  11           HD1      TYS  11  10.227  -2.127  -3.676
  785    HD2  TYS  11           HD2      TYS  11  11.182  -5.771  -5.724
  786    HE1  TYS  11           HE1      TYS  11   9.502  -1.156  -5.591
  787    HE2  TYS  11           HE2      TYS  11  10.126  -4.837  -7.740
  788    H    GLY  12           H        GLY  12  10.198  -2.861  -0.297
  789    HA2  GLY  12           HA2      GLY  12   8.853  -3.020   1.491
  790    HA3  GLY  12           HA3      GLY  12   8.348  -4.575   0.802
  791    H    HIS  13           H        HIS  13   8.167  -4.582   3.495
  792    HA   HIS  13           HA       HIS  13  10.184  -6.570   4.210
  793    HB2  HIS  13           HB2      HIS  13  10.824  -5.412   6.295
  794    HB3  HIS  13           HB3      HIS  13  11.450  -4.648   4.840
  795    HD1  HIS  13           HD1      HIS  13  10.293  -2.292   4.074
  796    HD2  HIS  13           HD2      HIS  13   8.781  -4.018   7.596
  797    HE1  HIS  13           HE1      HIS  13   8.562  -0.651   5.083
  798    HE2  HIS  13           HE2      HIS  13   8.086  -1.498   7.458
  799    H2   TYS  14           H2       TYS  14   9.736  -7.833   5.913
  800    HA   TYS  14           HA       TYS  14   6.933  -7.784   6.864
  801    HB2  TYS  14           HB2      TYS  14   9.121  -9.908   6.986
  802    HB3  TYS  14           HB3      TYS  14   7.586 -10.060   7.793
  803    HD1  TYS  14           HD1      TYS  14   8.914  -9.454   4.211
  804    HD2  TYS  14           HD2      TYS  14   5.728 -10.996   6.733
  805    HE1  TYS  14           HE1      TYS  14   7.959 -10.535   2.350
  806    HE2  TYS  14           HE2      TYS  14   4.748 -12.062   4.786
  807    H    ASP  15           H        ASP  15   6.266  -7.131   8.680
  808    HA   ASP  15           HA       ASP  15   8.275  -6.046  10.645
  809    HB2  ASP  15           HB2      ASP  15   7.310  -4.498   8.855
  810    HB3  ASP  15           HB3      ASP  15   5.764  -4.671   9.597
  811    H    ASP  16           H        ASP  16   7.454  -5.559  12.802
  812    HA   ASP  16           HA       ASP  16   4.902  -6.856  13.578
  813    HB2  ASP  16           HB2      ASP  16   5.902  -8.197  15.282
  814    HB3  ASP  16           HB3      ASP  16   6.657  -8.567  13.747
  815    H    LYS  17           H        LYS  17   6.222  -4.020  13.547
  816    HA   LYS  17           HA       LYS  17   5.334  -3.135  16.295
  817    HB2  LYS  17           HB2      LYS  17   7.856  -2.247  14.858
  818    HB3  LYS  17           HB3      LYS  17   7.334  -1.723  16.455
  819    HG2  LYS  17           HG2      LYS  17   7.781  -3.904  17.411
  820    HG3  LYS  17           HG3      LYS  17   8.057  -4.590  15.802
  821    HD2  LYS  17           HD2      LYS  17   9.948  -2.884  15.519
  822    HD3  LYS  17           HD3      LYS  17   9.776  -2.554  17.247
  823    HE2  LYS  17           HE2      LYS  17  11.562  -4.156  16.828
  824    HE3  LYS  17           HE3      LYS  17  10.260  -4.923  17.758
  825    HZ1  LYS  17           HZ1      LYS  17  10.318  -5.165  14.812
  826    HZ2  LYS  17           HZ2      LYS  17   9.590  -6.145  15.883
  827    HZ3  LYS  17           HZ3      LYS  17  11.230  -6.181  15.746
  828    H    ASP  18           H        ASP  18   5.828  -2.335  12.943
  829    HA   ASP  18           HA       ASP  18   4.275   0.216  13.191
  830    HB2  ASP  18           HB2      ASP  18   6.676  -0.487  11.460
  831    HB3  ASP  18           HB3      ASP  18   5.690   0.955  11.223
  832    H    THR  19           H        THR  19   3.517  -2.629  12.550
  833    HA   THR  19           HA       THR  19   2.226  -2.778   9.990
  834    HB   THR  19           HB       THR  19   2.314  -4.770  11.400
  835    HG1  THR  19           HG1      THR  19   0.694  -5.083  10.390
  836   HG21  THR  19          HG21      THR  19   0.778  -3.269  13.501
  837   HG22  THR  19          HG22      THR  19   2.470  -3.806  13.624
  838   HG23  THR  19          HG23      THR  19   1.207  -5.007  13.485
  839    H    LEU  20           H        LEU  20  -0.171  -2.561   9.658
  840    HA   LEU  20           HA       LEU  20  -1.508  -0.410  11.221
  841    HB2  LEU  20           HB2      LEU  20  -1.279   0.414   8.954
  842    HB3  LEU  20           HB3      LEU  20  -1.646  -1.190   8.292
  843    HG   LEU  20           HG       LEU  20  -3.969  -0.975   9.032
  844   HD11  LEU  20          HD11      LEU  20  -3.757   0.549  10.946
  845   HD12  LEU  20          HD12      LEU  20  -4.823   1.237   9.726
  846   HD13  LEU  20          HD13      LEU  20  -3.158   1.843   9.878
  847   HD21  LEU  20          HD21      LEU  20  -4.566   0.465   7.236
  848   HD22  LEU  20          HD22      LEU  20  -2.973  -0.187   6.836
  849   HD23  LEU  20          HD23      LEU  20  -3.098   1.464   7.446
  850    H    ASP  21           H        ASP  21  -3.136  -1.189  12.373
  851    HA   ASP  21           HA       ASP  21  -4.186  -3.911  11.920
  852    HB2  ASP  21           HB2      ASP  21  -4.678  -4.033  14.045
  853    HB3  ASP  21           HB3      ASP  21  -3.617  -2.655  14.268
  854    H    LEU  22           H        LEU  22  -6.060  -4.359  11.220
  855    HA   LEU  22           HA       LEU  22  -7.916  -2.302  10.107
  856    HB2  LEU  22           HB2      LEU  22  -6.473  -4.662   9.073
  857    HB3  LEU  22           HB3      LEU  22  -8.187  -4.835   8.808
  858    HG   LEU  22           HG       LEU  22  -8.226  -2.625   7.639
  859   HD11  LEU  22          HD11      LEU  22  -5.922  -1.799   6.896
  860   HD12  LEU  22          HD12      LEU  22  -5.247  -2.783   8.225
  861   HD13  LEU  22          HD13      LEU  22  -6.351  -1.450   8.583
  862   HD21  LEU  22          HD21      LEU  22  -7.944  -4.779   6.502
  863   HD22  LEU  22          HD22      LEU  22  -6.194  -4.694   6.710
  864   HD23  LEU  22          HD23      LEU  22  -7.013  -3.512   5.657
  865    H    ASN  23           H        ASN  23  -8.020  -3.901  12.814
  866    HA   ASN  23           HA       ASN  23 -10.027  -5.887  12.623
  867    HB2  ASN  23           HB2      ASN  23  -9.105  -4.174  14.950
  868    HB3  ASN  23           HB3      ASN  23 -10.166  -5.571  15.108
  869   HD21  ASN  23          HD21      ASN  23  -6.897  -4.509  14.620
  870   HD22  ASN  23          HD22      ASN  23  -6.197  -6.128  14.798
  871    H    THR  24           H        THR  24 -10.590  -2.391  12.704
  872    HA   THR  24           HA       THR  24 -13.506  -2.968  13.026
  873    HB   THR  24           HB       THR  24 -12.560  -2.320  15.154
  874    HG1  THR  24           HG1      THR  24 -14.161  -1.029  15.662
  875   HG21  THR  24          HG21      THR  24 -12.048   0.414  13.928
  876   HG22  THR  24          HG22      THR  24 -10.811  -0.742  14.492
  877   HG23  THR  24          HG23      THR  24 -11.936  -0.022  15.646
  878    HA   PRO  25           HA       PRO  25 -13.710   0.628  10.057
  879    HB2  PRO  25           HB2      PRO  25 -11.627   1.521   8.651
  880    HB3  PRO  25           HB3      PRO  25 -11.826   1.978  10.368
  881    HG2  PRO  25           HG2      PRO  25 -10.062  -0.217   9.227
  882    HG3  PRO  25           HG3      PRO  25  -9.627   1.059  10.412
  883    HD2  PRO  25           HD2      PRO  25 -10.393  -1.483  11.085
  884    HD3  PRO  25           HD3      PRO  25 -10.641  -0.052  12.145
  885    H    VAL  26           H        VAL  26 -13.855   0.724   7.727
  886    HA   VAL  26           HA       VAL  26 -13.214  -1.817   6.315
  887    HB   VAL  26           HB       VAL  26 -15.502  -1.854   7.233
  888   HG11  VAL  26          HG11      VAL  26 -16.097   0.532   7.028
  889   HG12  VAL  26          HG12      VAL  26 -17.276  -0.492   6.214
  890   HG13  VAL  26          HG13      VAL  26 -16.087   0.397   5.254
  891   HG21  VAL  26          HG21      VAL  26 -15.508  -1.841   4.199
  892   HG22  VAL  26          HG22      VAL  26 -16.629  -2.687   5.274
  893   HG23  VAL  26          HG23      VAL  26 -14.927  -3.177   5.220
  894    H    ASP  27           H        ASP  27 -13.479   1.445   6.040
  895    HA   ASP  27           HA       ASP  27 -13.433   3.036   4.363
  896    HB2  ASP  27           HB2      ASP  27 -10.865   1.465   4.035
  897    HB3  ASP  27           HB3      ASP  27 -11.125   3.078   3.367
  898    H    LYS  28           H        LYS  28 -14.668   0.411   3.210
  899    HA   LYS  28           HA       LYS  28 -15.039   1.508   0.505
  900    HB2  LYS  28           HB2      LYS  28 -13.027   0.145   0.279
  901    HB3  LYS  28           HB3      LYS  28 -13.851  -1.263   0.959
  902    HG2  LYS  28           HG2      LYS  28 -15.374  -1.379  -0.920
  903    HG3  LYS  28           HG3      LYS  28 -14.851   0.189  -1.535
  904    HD2  LYS  28           HD2      LYS  28 -13.098  -2.302  -1.344
  905    HD3  LYS  28           HD3      LYS  28 -13.944  -1.768  -2.793
  906    HE2  LYS  28           HE2      LYS  28 -11.746  -0.200  -1.358
  907    HE3  LYS  28           HE3      LYS  28 -11.562  -1.146  -2.838
  908    HZ1  LYS  28           HZ1      LYS  28 -13.258   0.329  -3.862
  909    HZ2  LYS  28           HZ2      LYS  28 -11.878   1.125  -3.456
  910    HZ3  LYS  28           HZ3      LYS  28 -13.236   1.291  -2.549
  911    HN1  NH2  29           HN1      NH2  29 -18.282   0.310   0.781
  912    HN2  NH2  29           HN2      NH2  29 -17.200   1.660   0.495
  Start of MODEL    8
    1    H1   ASN  31           H1       ASN  31   1.156  12.448  -8.167
    2    H2   ASN  31           H2       ASN  31   2.144  12.367  -9.478
    3    H3   ASN  31           H3       ASN  31   2.693  11.886  -8.014
    4    HA   ASN  31           HA       ASN  31   1.841  14.608  -8.664
    5    HB2  ASN  31           HB2      ASN  31   3.293  13.582  -6.196
    6    HB3  ASN  31           HB3      ASN  31   3.048  15.284  -6.599
    7   HD21  ASN  31          HD21      ASN  31   1.020  16.245  -6.087
    8   HD22  ASN  31          HD22      ASN  31  -0.360  15.305  -5.579
    9    H    SER  32           H        SER  32   5.002  12.956  -7.895
   10    HA   SER  32           HA       SER  32   6.226  14.593 -10.068
   11    HB2  SER  32           HB2      SER  32   7.830  15.532  -8.415
   12    HB3  SER  32           HB3      SER  32   6.158  16.028  -8.142
   13    HG   SER  32           HG       SER  32   7.025  15.486  -6.228
   14    H    GLY  33           H        GLY  33   6.366  11.564  -8.436
   15    HA2  GLY  33           HA2      GLY  33   9.049  11.027  -9.669
   16    HA3  GLY  33           HA3      GLY  33   8.760  10.700  -7.964
   17    H    LEU  34           H        LEU  34   5.884   9.786  -9.025
   18    HA   LEU  34           HA       LEU  34   6.484   7.248 -10.440
   19    HB2  LEU  34           HB2      LEU  34   5.204   7.583  -7.695
   20    HB3  LEU  34           HB3      LEU  34   4.870   6.179  -8.668
   21    HG   LEU  34           HG       LEU  34   7.632   6.956  -7.641
   22   HD11  LEU  34          HD11      LEU  34   6.101   6.210  -5.869
   23   HD12  LEU  34          HD12      LEU  34   7.359   5.001  -6.175
   24   HD13  LEU  34          HD13      LEU  34   5.711   4.748  -6.798
   25   HD21  LEU  34          HD21      LEU  34   8.266   4.658  -8.369
   26   HD22  LEU  34          HD22      LEU  34   7.834   5.675  -9.741
   27   HD23  LEU  34          HD23      LEU  34   6.677   4.464  -9.132
   28    HA   PRO  35           HA       PRO  35   2.577   8.125 -12.452
   29    HB2  PRO  35           HB2      PRO  35   1.219   5.689 -12.371
   30    HB3  PRO  35           HB3      PRO  35   2.507   6.118 -13.530
   31    HG2  PRO  35           HG2      PRO  35   2.766   4.583 -10.931
   32    HG3  PRO  35           HG3      PRO  35   3.459   4.180 -12.536
   33    HD2  PRO  35           HD2      PRO  35   4.988   5.379 -10.674
   34    HD3  PRO  35           HD3      PRO  35   5.078   5.929 -12.362
   35    H    THR  36           H        THR  36   0.243   8.292 -12.142
   36    HA   THR  36           HA       THR  36  -0.464   8.592  -9.230
   37    HB   THR  36           HB       THR  36  -0.013  10.692 -10.386
   38    HG1  THR  36           HG1      THR  36  -1.476  10.895  -8.792
   39   HG21  THR  36          HG21      THR  36  -1.629  11.558 -12.058
   40   HG22  THR  36          HG22      THR  36  -2.403   9.970 -12.148
   41   HG23  THR  36          HG23      THR  36  -0.722  10.180 -12.687
   42    H    THR  37           H        THR  37  -1.553   6.937 -12.094
   43    HA   THR  37           HA       THR  37  -4.320   6.859 -11.099
   44    HB   THR  37           HB       THR  37  -4.752   5.308 -12.962
   45    HG1  THR  37           HG1      THR  37  -3.146   5.157 -14.561
   46   HG21  THR  37          HG21      THR  37  -5.002   7.787 -13.185
   47   HG22  THR  37          HG22      THR  37  -4.573   7.000 -14.710
   48   HG23  THR  37          HG23      THR  37  -3.338   7.880 -13.798
   49    H    LEU  38           H        LEU  38  -5.118   5.422  -9.709
   50    HA   LEU  38           HA       LEU  38  -3.608   3.656  -8.266
   51    HB2  LEU  38           HB2      LEU  38  -6.333   4.335  -8.401
   52    HB3  LEU  38           HB3      LEU  38  -6.313   2.575  -8.524
   53    HG   LEU  38           HG       LEU  38  -5.111   4.238  -6.321
   54   HD11  LEU  38          HD11      LEU  38  -6.868   3.262  -4.935
   55   HD12  LEU  38          HD12      LEU  38  -7.500   2.360  -6.324
   56   HD13  LEU  38          HD13      LEU  38  -7.572   4.139  -6.295
   57   HD21  LEU  38          HD21      LEU  38  -4.797   2.059  -5.133
   58   HD22  LEU  38          HD22      LEU  38  -3.779   2.172  -6.570
   59   HD23  LEU  38          HD23      LEU  38  -5.264   1.202  -6.619
   60    H    GLY  39           H        GLY  39  -5.374   2.661 -11.266
   61    HA2  GLY  39           HA2      GLY  39  -4.736  -0.046 -11.337
   62    HA3  GLY  39           HA3      GLY  39  -4.789   0.985 -12.766
   63    H    LYS  40           H        LYS  40  -2.478   2.622 -12.268
   64    HA   LYS  40           HA       LYS  40  -0.316   0.805 -13.043
   65    HB2  LYS  40           HB2      LYS  40  -0.415   3.798 -12.447
   66    HB3  LYS  40           HB3      LYS  40   1.046   2.928 -12.935
   67    HG2  LYS  40           HG2      LYS  40  -0.061   2.218 -15.032
   68    HG3  LYS  40           HG3      LYS  40  -1.505   3.139 -14.595
   69    HD2  LYS  40           HD2      LYS  40  -0.207   5.237 -14.588
   70    HD3  LYS  40           HD3      LYS  40   1.286   4.335 -14.935
   71    HE2  LYS  40           HE2      LYS  40   0.346   3.566 -17.079
   72    HE3  LYS  40           HE3      LYS  40  -1.159   4.426 -16.747
   73    HZ1  LYS  40           HZ1      LYS  40   1.434   5.850 -16.852
   74    HZ2  LYS  40           HZ2      LYS  40  -0.078   6.486 -16.959
   75    HZ3  LYS  40           HZ3      LYS  40   0.558   5.607 -18.203
   76    H    LEU  41           H        LEU  41  -1.094   2.679 -10.066
   77    HA   LEU  41           HA       LEU  41   1.275   1.818  -8.691
   78    HB2  LEU  41           HB2      LEU  41  -0.108   3.723  -7.914
   79    HB3  LEU  41           HB3      LEU  41  -1.399   2.592  -7.480
   80    HG   LEU  41           HG       LEU  41   0.209   1.457  -5.892
   81   HD11  LEU  41          HD11      LEU  41   2.386   2.146  -6.810
   82   HD12  LEU  41          HD12      LEU  41   2.211   2.722  -5.151
   83   HD13  LEU  41          HD13      LEU  41   1.992   3.859  -6.489
   84   HD21  LEU  41          HD21      LEU  41  -1.393   3.156  -5.115
   85   HD22  LEU  41          HD22      LEU  41  -0.131   4.398  -5.312
   86   HD23  LEU  41          HD23      LEU  41   0.102   3.075  -4.147
   87    H    ASP  42           H        ASP  42  -1.996   0.295  -8.837
   88    HA   ASP  42           HA       ASP  42  -1.412  -1.942  -7.156
   89    HB2  ASP  42           HB2      ASP  42  -3.674  -1.430  -7.754
   90    HB3  ASP  42           HB3      ASP  42  -3.309  -1.475  -9.479
   91    H    GLU  43           H        GLU  43  -0.730  -1.494 -10.638
   92    HA   GLU  43           HA       GLU  43   0.259  -4.181 -11.053
   93    HB2  GLU  43           HB2      GLU  43  -0.359  -2.577 -12.883
   94    HB3  GLU  43           HB3      GLU  43   1.074  -1.617 -12.500
   95    HG2  GLU  43           HG2      GLU  43   2.519  -3.563 -13.006
   96    HG3  GLU  43           HG3      GLU  43   1.087  -4.547 -13.332
   97    H    ARG  44           H        ARG  44   1.909  -1.108 -10.149
   98    HA   ARG  44           HA       ARG  44   4.513  -2.244  -9.773
   99    HB2  ARG  44           HB2      ARG  44   3.116   0.263  -8.756
  100    HB3  ARG  44           HB3      ARG  44   4.765  -0.153  -8.298
  101    HG2  ARG  44           HG2      ARG  44   5.415  -0.283 -10.680
  102    HG3  ARG  44           HG3      ARG  44   3.776   0.194 -11.162
  103    HD2  ARG  44           HD2      ARG  44   4.056   2.342  -9.976
  104    HD3  ARG  44           HD3      ARG  44   5.663   1.835  -9.433
  105    HE   ARG  44           HE       ARG  44   4.848   2.358 -12.288
  106   HH11  ARG  44          HH11      ARG  44   7.554   1.833 -10.086
  107   HH12  ARG  44          HH12      ARG  44   8.712   2.172 -11.355
  108   HH21  ARG  44          HH21      ARG  44   6.282   2.713 -13.739
  109   HH22  ARG  44          HH22      ARG  44   8.010   2.615 -13.408
  110    H    LEU  45           H        LEU  45   1.820  -1.858  -7.426
  111    HA   LEU  45           HA       LEU  45   3.361  -2.834  -5.213
  112    HB2  LEU  45           HB2      LEU  45   0.388  -2.586  -5.698
  113    HB3  LEU  45           HB3      LEU  45   1.056  -3.171  -4.179
  114    HG   LEU  45           HG       LEU  45   1.700  -0.434  -5.368
  115   HD11  LEU  45          HD11      LEU  45  -0.188  -1.244  -3.127
  116   HD12  LEU  45          HD12      LEU  45  -0.653  -0.611  -4.719
  117   HD13  LEU  45          HD13      LEU  45   0.233   0.422  -3.582
  118   HD21  LEU  45          HD21      LEU  45   3.502  -1.145  -3.904
  119   HD22  LEU  45          HD22      LEU  45   2.334  -1.613  -2.642
  120   HD23  LEU  45          HD23      LEU  45   2.533   0.086  -3.101
  121    H    ARG  46           H        ARG  46   1.353  -4.569  -7.597
  122    HA   ARG  46           HA       ARG  46   1.773  -7.186  -6.332
  123    HB2  ARG  46           HB2      ARG  46   0.881  -6.394  -9.134
  124    HB3  ARG  46           HB3      ARG  46   0.978  -8.062  -8.536
  125    HG2  ARG  46           HG2      ARG  46  -0.636  -7.554  -6.736
  126    HG3  ARG  46           HG3      ARG  46  -0.722  -5.875  -7.263
  127    HD2  ARG  46           HD2      ARG  46  -1.475  -6.843  -9.560
  128    HD3  ARG  46           HD3      ARG  46  -1.783  -8.341  -8.668
  129    HE   ARG  46           HE       ARG  46  -3.013  -5.644  -8.076
  130   HH11  ARG  46          HH11      ARG  46  -3.601  -9.180  -8.044
  131   HH12  ARG  46          HH12      ARG  46  -5.281  -8.852  -7.673
  132   HH21  ARG  46          HH21      ARG  46  -4.915  -5.481  -7.357
  133   HH22  ARG  46          HH22      ARG  46  -5.963  -6.899  -7.069
  134    H    ASN  47           H        ASN  47   3.596  -5.204  -8.668
  135    HA   ASN  47           HA       ASN  47   5.668  -7.224  -9.042
  136    HB2  ASN  47           HB2      ASN  47   5.763  -4.215  -9.370
  137    HB3  ASN  47           HB3      ASN  47   7.079  -5.300  -9.730
  138   HD21  ASN  47          HD21      ASN  47   5.935  -3.547 -11.567
  139   HD22  ASN  47          HD22      ASN  47   5.173  -4.494 -12.844
  140    H    TYR  48           H        TYR  48   5.387  -4.502  -6.686
  141    HA   TYR  48           HA       TYR  48   7.720  -5.046  -5.288
  142    HB2  TYR  48           HB2      TYR  48   5.144  -3.711  -4.639
  143    HB3  TYR  48           HB3      TYR  48   6.064  -4.225  -3.305
  144    HD1  TYR  48           HD1      TYR  48   8.100  -3.102  -2.628
  145    HD2  TYR  48           HD2      TYR  48   5.861  -1.747  -6.033
  146    HE1  TYR  48           HE1      TYR  48   9.165  -0.849  -2.449
  147    HE2  TYR  48           HE2      TYR  48   6.937   0.470  -5.876
  148    HH   TYR  48           HH       TYR  48   8.495   1.735  -4.782
  149    H    LEU  49           H        LEU  49   4.628  -6.768  -4.929
  150    HA   LEU  49           HA       LEU  49   5.544  -8.341  -2.696
  151    HB2  LEU  49           HB2      LEU  49   3.364  -8.568  -4.780
  152    HB3  LEU  49           HB3      LEU  49   3.750 -10.007  -3.850
  153    HG   LEU  49           HG       LEU  49   3.173  -7.372  -2.491
  154   HD11  LEU  49          HD11      LEU  49   0.881  -8.307  -2.101
  155   HD12  LEU  49          HD12      LEU  49   1.258  -9.653  -3.193
  156   HD13  LEU  49          HD13      LEU  49   1.186  -7.986  -3.817
  157   HD21  LEU  49          HD21      LEU  49   4.285  -9.040  -1.100
  158   HD22  LEU  49          HD22      LEU  49   3.082 -10.260  -1.537
  159   HD23  LEU  49          HD23      LEU  49   2.620  -8.838  -0.572
  160    H    LYS  50           H        LYS  50   5.676  -9.157  -6.213
  161    HA   LYS  50           HA       LYS  50   7.048 -11.669  -5.707
  162    HB2  LYS  50           HB2      LYS  50   7.216  -9.992  -8.225
  163    HB3  LYS  50           HB3      LYS  50   7.532 -11.718  -8.018
  164    HG2  LYS  50           HG2      LYS  50   5.239 -12.266  -7.778
  165    HG3  LYS  50           HG3      LYS  50   4.743 -10.586  -7.559
  166    HD2  LYS  50           HD2      LYS  50   5.998 -11.637 -10.127
  167    HD3  LYS  50           HD3      LYS  50   4.250 -11.544  -9.851
  168    HE2  LYS  50           HE2      LYS  50   4.295  -9.147  -9.626
  169    HE3  LYS  50           HE3      LYS  50   6.061  -9.115  -9.566
  170    HZ1  LYS  50           HZ1      LYS  50   5.281  -8.457 -11.721
  171    HZ2  LYS  50           HZ2      LYS  50   4.498  -9.901 -11.946
  172    HZ3  LYS  50           HZ3      LYS  50   6.130  -9.864 -11.853
  173    H    LYS  51           H        LYS  51   8.202  -8.436  -6.541
  174    HA   LYS  51           HA       LYS  51  11.037  -8.864  -6.625
  175    HB2  LYS  51           HB2      LYS  51   9.313  -6.478  -5.913
  176    HB3  LYS  51           HB3      LYS  51  11.057  -6.400  -6.095
  177    HG2  LYS  51           HG2      LYS  51   9.358  -7.380  -8.401
  178    HG3  LYS  51           HG3      LYS  51   9.549  -5.657  -8.063
  179    HD2  LYS  51           HD2      LYS  51  12.022  -5.911  -8.121
  180    HD3  LYS  51           HD3      LYS  51  11.806  -7.627  -8.551
  181    HE2  LYS  51           HE2      LYS  51  10.606  -6.999 -10.583
  182    HE3  LYS  51           HE3      LYS  51  10.719  -5.277 -10.159
  183    HZ1  LYS  51           HZ1      LYS  51  13.180  -6.865 -10.362
  184    HZ2  LYS  51           HZ2      LYS  51  12.466  -6.335 -11.757
  185    HZ3  LYS  51           HZ3      LYS  51  12.978  -5.260 -10.612
  186    H    GLY  52           H        GLY  52   8.819  -8.417  -3.899
  187    HA2  GLY  52           HA2      GLY  52  11.097  -7.768  -2.113
  188    HA3  GLY  52           HA3      GLY  52   9.467  -7.139  -2.030
  189    H    THR  53           H        THR  53   8.615 -10.239  -2.392
  190    HA   THR  53           HA       THR  53   9.154 -11.017   0.441
  191    HB   THR  53           HB       THR  53   7.053 -12.072   0.527
  192    HG1  THR  53           HG1      THR  53   6.700 -11.275  -2.217
  193   HG21  THR  53          HG21      THR  53   5.491 -10.295   0.400
  194   HG22  THR  53          HG22      THR  53   6.508  -9.402  -0.767
  195   HG23  THR  53          HG23      THR  53   7.047  -9.632   0.904
  196    H    LYS  54           H        LYS  54   9.279 -13.271   0.932
  197    HA   LYS  54           HA       LYS  54  10.742 -14.808  -1.002
  198    HB2  LYS  54           HB2      LYS  54   9.476 -15.728   1.596
  199    HB3  LYS  54           HB3      LYS  54  10.675 -16.622   0.663
  200    HG2  LYS  54           HG2      LYS  54  12.349 -14.876   0.981
  201    HG3  LYS  54           HG3      LYS  54  11.197 -13.840   1.798
  202    HD2  LYS  54           HD2      LYS  54  12.340 -16.427   2.830
  203    HD3  LYS  54           HD3      LYS  54  12.635 -14.778   3.423
  204    HE2  LYS  54           HE2      LYS  54  10.268 -14.596   4.132
  205    HE3  LYS  54           HE3      LYS  54   9.976 -16.253   3.561
  206    HZ1  LYS  54           HZ1      LYS  54  11.829 -15.464   5.735
  207    HZ2  LYS  54           HZ2      LYS  54  11.732 -16.972   5.111
  208    HZ3  LYS  54           HZ3      LYS  54  10.431 -16.321   5.902
  209    H    ASN  55           H        ASN  55   7.357 -14.813   0.065
  210    HA   ASN  55           HA       ASN  55   6.616 -16.082  -2.485
  211    HB2  ASN  55           HB2      ASN  55   6.763 -17.969  -0.898
  212    HB3  ASN  55           HB3      ASN  55   5.812 -17.078   0.293
  213   HD21  ASN  55          HD21      ASN  55   4.119 -18.553   0.423
  214   HD22  ASN  55          HD22      ASN  55   3.031 -18.872  -0.929
  215    H    SER  56           H        SER  56   5.361 -14.655  -3.421
  216    HA   SER  56           HA       SER  56   3.589 -12.829  -2.033
  217    HB2  SER  56           HB2      SER  56   2.899 -12.222  -4.375
  218    HB3  SER  56           HB3      SER  56   4.639 -12.120  -4.047
  219    HG   SER  56           HG       SER  56   3.234 -13.861  -5.724
  220    H    ALA  57           H        ALA  57   3.156 -16.114  -3.087
  221    HA   ALA  57           HA       ALA  57   0.438 -15.955  -3.944
  222    HB1  ALA  57           HB1      ALA  57   0.646 -18.359  -4.160
  223    HB2  ALA  57           HB2      ALA  57   2.028 -18.398  -3.065
  224    HB3  ALA  57           HB3      ALA  57   2.173 -17.624  -4.659
  225    H    GLN  58           H        GLN  58   1.301 -15.414  -0.859
  226    HA   GLN  58           HA       GLN  58  -0.909 -16.942   0.435
  227    HB2  GLN  58           HB2      GLN  58   0.291 -16.572   2.496
  228    HB3  GLN  58           HB3      GLN  58   1.413 -17.227   1.301
  229    HG2  GLN  58           HG2      GLN  58   2.241 -14.862   0.867
  230    HG3  GLN  58           HG3      GLN  58   1.185 -14.290   2.148
  231   HE21  GLN  58          HE21      GLN  58   4.269 -14.798   1.467
  232   HE22  GLN  58          HE22      GLN  58   4.847 -15.345   3.011
  233    H    PHE  59           H        PHE  59  -0.320 -13.827  -0.798
  234    HA   PHE  59           HA       PHE  59  -1.680 -12.372   1.371
  235    HB2  PHE  59           HB2      PHE  59  -0.285 -11.458  -1.139
  236    HB3  PHE  59           HB3      PHE  59  -1.119 -10.388  -0.015
  237    HD1  PHE  59           HD1      PHE  59  -0.355 -10.178   2.371
  238    HD2  PHE  59           HD2      PHE  59   1.930 -12.354  -0.549
  239    HE1  PHE  59           HE1      PHE  59   1.621 -10.099   3.865
  240    HE2  PHE  59           HE2      PHE  59   3.922 -12.253   0.933
  241    HZ   PHE  59           HZ       PHE  59   3.772 -11.108   3.127
  242    H    GLU  60           H        GLU  60  -3.586 -11.262   1.229
  243    HA   GLU  60           HA       GLU  60  -5.447 -12.196  -0.949
  244    HB2  GLU  60           HB2      GLU  60  -5.829 -13.517   0.992
  245    HB3  GLU  60           HB3      GLU  60  -5.841 -12.105   2.063
  246    HG2  GLU  60           HG2      GLU  60  -7.919 -11.319   1.187
  247    HG3  GLU  60           HG3      GLU  60  -7.835 -12.395  -0.197
  248    H    LYS  61           H        LYS  61  -4.502  -9.521   1.187
  249    HA   LYS  61           HA       LYS  61  -5.646  -7.728  -0.793
  250    HB2  LYS  61           HB2      LYS  61  -7.076  -6.431   0.613
  251    HB3  LYS  61           HB3      LYS  61  -7.587  -8.106   0.741
  252    HG2  LYS  61           HG2      LYS  61  -6.456  -8.314   2.932
  253    HG3  LYS  61           HG3      LYS  61  -5.841  -6.658   2.800
  254    HD2  LYS  61           HD2      LYS  61  -7.992  -5.711   2.961
  255    HD3  LYS  61           HD3      LYS  61  -8.799  -7.243   2.641
  256    HE2  LYS  61           HE2      LYS  61  -6.956  -6.839   5.014
  257    HE3  LYS  61           HE3      LYS  61  -8.663  -6.368   5.106
  258    HZ1  LYS  61           HZ1      LYS  61  -7.906  -8.770   5.860
  259    HZ2  LYS  61           HZ2      LYS  61  -8.130  -9.138   4.282
  260    HZ3  LYS  61           HZ3      LYS  61  -9.349  -8.513   5.144
  261    H    MET  62           H        MET  62  -5.339  -5.492  -0.222
  262    HA   MET  62           HA       MET  62  -3.070  -4.814   1.498
  263    HB2  MET  62           HB2      MET  62  -1.764  -3.721  -0.218
  264    HB3  MET  62           HB3      MET  62  -1.992  -5.420  -0.629
  265    HG2  MET  62           HG2      MET  62  -3.731  -4.834  -2.257
  266    HG3  MET  62           HG3      MET  62  -3.588  -3.124  -1.830
  267    HE1  MET  62           HE1      MET  62  -3.473  -4.259  -4.783
  268    HE2  MET  62           HE2      MET  62  -2.105  -3.374  -5.481
  269    HE3  MET  62           HE3      MET  62  -3.271  -2.523  -4.445
  270    H    VAL  63           H        VAL  63  -2.802  -2.523   1.793
  271    HA   VAL  63           HA       VAL  63  -4.961  -0.739   0.894
  272    HB   VAL  63           HB       VAL  63  -5.842  -1.802   2.945
  273   HG11  VAL  63          HG11      VAL  63  -4.855  -1.868   4.946
  274   HG12  VAL  63          HG12      VAL  63  -3.694  -0.529   4.578
  275   HG13  VAL  63          HG13      VAL  63  -3.485  -2.124   3.871
  276   HG21  VAL  63          HG21      VAL  63  -5.095   1.110   3.460
  277   HG22  VAL  63          HG22      VAL  63  -6.384   0.173   4.253
  278   HG23  VAL  63          HG23      VAL  63  -6.499   0.537   2.527
  279    H    ILE  64           H        ILE  64  -4.340   1.345   0.741
  280    HA   ILE  64           HA       ILE  64  -1.383   1.857   0.922
  281    HB   ILE  64           HB       ILE  64  -3.436   2.640  -1.189
  282   HG12  ILE  64          HG12      ILE  64  -1.256   0.591  -1.661
  283   HG13  ILE  64          HG13      ILE  64  -2.829   0.090  -1.064
  284   HG21  ILE  64          HG21      ILE  64  -1.505   4.211  -1.042
  285   HG22  ILE  64          HG22      ILE  64  -1.521   3.318  -2.549
  286   HG23  ILE  64          HG23      ILE  64  -0.391   2.838  -1.271
  287   HD11  ILE  64          HD11      ILE  64  -3.941   1.134  -3.005
  288   HD12  ILE  64          HD12      ILE  64  -2.825  -0.172  -3.436
  289   HD13  ILE  64          HD13      ILE  64  -2.344   1.515  -3.690
  290    H    LEU  65           H        LEU  65  -0.752   3.743   1.842
  291    HA   LEU  65           HA       LEU  65  -2.771   5.888   2.312
  292    HB2  LEU  65           HB2      LEU  65  -0.470   5.329   4.193
  293    HB3  LEU  65           HB3      LEU  65  -1.860   6.376   4.432
  294    HG   LEU  65           HG       LEU  65  -1.864   3.340   4.426
  295   HD11  LEU  65          HD11      LEU  65  -0.965   4.502   6.487
  296   HD12  LEU  65          HD12      LEU  65  -2.402   3.513   6.782
  297   HD13  LEU  65          HD13      LEU  65  -2.539   5.279   6.674
  298   HD21  LEU  65          HD21      LEU  65  -4.040   4.132   3.551
  299   HD22  LEU  65          HD22      LEU  65  -4.172   5.279   4.889
  300   HD23  LEU  65          HD23      LEU  65  -4.215   3.517   5.188
  301    H    THR  66           H        THR  66  -2.265   7.858   1.623
  302    HA   THR  66           HA       THR  66   0.483   8.378   0.478
  303    HB   THR  66           HB       THR  66  -0.594   9.672  -1.241
  304    HG1  THR  66           HG1      THR  66  -2.362  10.495  -0.198
  305   HG21  THR  66          HG21      THR  66  -0.446   7.219  -1.633
  306   HG22  THR  66          HG22      THR  66  -1.776   8.008  -2.495
  307   HG23  THR  66          HG23      THR  66  -2.117   7.052  -1.034
  308    H    GLU  67           H        GLU  67   0.909  10.814   0.108
  309    HA   GLU  67           HA       GLU  67   0.411  12.537   2.353
  310    HB2  GLU  67           HB2      GLU  67   0.516  13.482  -0.518
  311    HB3  GLU  67           HB3      GLU  67   0.853  14.417   0.918
  312    HG2  GLU  67           HG2      GLU  67   2.939  13.214   1.279
  313    HG3  GLU  67           HG3      GLU  67   2.592  12.141  -0.073
  314    H    ASN  68           H        ASN  68  -1.053  14.497   2.250
  315    HA   ASN  68           HA       ASN  68  -3.132  15.391   2.321
  316    HB2  ASN  68           HB2      ASN  68  -3.445  14.136  -0.422
  317    HB3  ASN  68           HB3      ASN  68  -4.377  15.476   0.180
  318   HD21  ASN  68          HD21      ASN  68  -2.007  14.918  -1.925
  319   HD22  ASN  68          HD22      ASN  68  -0.850  16.215  -1.566
  320    H    LYS  69           H        LYS  69  -2.667  12.826   3.453
  321    HA   LYS  69           HA       LYS  69  -3.524  10.918   4.268
  322    HB2  LYS  69           HB2      LYS  69  -5.774  12.832   4.970
  323    HB3  LYS  69           HB3      LYS  69  -5.441  11.277   5.747
  324    HG2  LYS  69           HG2      LYS  69  -3.023  12.275   6.112
  325    HG3  LYS  69           HG3      LYS  69  -3.836  13.830   5.904
  326    HD2  LYS  69           HD2      LYS  69  -4.485  11.632   7.912
  327    HD3  LYS  69           HD3      LYS  69  -3.666  13.156   8.276
  328    HE2  LYS  69           HE2      LYS  69  -5.621  14.440   7.894
  329    HE3  LYS  69           HE3      LYS  69  -6.458  13.114   7.069
  330    HZ1  LYS  69           HZ1      LYS  69  -5.663  12.916   9.903
  331    HZ2  LYS  69           HZ2      LYS  69  -6.688  11.952   9.057
  332    HZ3  LYS  69           HZ3      LYS  69  -7.164  13.468   9.431
  333    H    GLY  70           H        GLY  70  -3.988  10.854   1.515
  334    HA2  GLY  70           HA2      GLY  70  -6.562   9.667   0.945
  335    HA3  GLY  70           HA3      GLY  70  -5.072   9.406   0.032
  336    H    TYR  71           H        TYR  71  -7.236   7.606   1.005
  337    HA   TYR  71           HA       TYR  71  -5.588   5.385   2.085
  338    HB2  TYR  71           HB2      TYR  71  -6.649   6.329   4.042
  339    HB3  TYR  71           HB3      TYR  71  -8.199   6.427   3.233
  340    HD1  TYR  71           HD1      TYR  71  -9.326   4.153   2.508
  341    HD2  TYR  71           HD2      TYR  71  -6.272   4.494   5.561
  342    HE1  TYR  71           HE1      TYR  71 -10.088   2.036   3.537
  343    HE2  TYR  71           HE2      TYR  71  -7.113   2.451   6.621
  344    HH   TYR  71           HH       TYR  71  -8.703   0.799   6.605
  345    H    TYR  72           H        TYR  72  -5.934   3.599   0.881
  346    HA   TYR  72           HA       TYR  72  -8.484   3.180  -0.612
  347    HB2  TYR  72           HB2      TYR  72  -5.741   3.006  -1.920
  348    HB3  TYR  72           HB3      TYR  72  -7.305   2.814  -2.682
  349    HD1  TYR  72           HD1      TYR  72  -4.863   5.235  -1.281
  350    HD2  TYR  72           HD2      TYR  72  -8.577   4.764  -3.438
  351    HE1  TYR  72           HE1      TYR  72  -4.777   7.630  -1.964
  352    HE2  TYR  72           HE2      TYR  72  -8.452   7.137  -4.171
  353    HH   TYR  72           HH       TYR  72  -7.297   9.116  -4.030
  354    H    THR  73           H        THR  73  -9.113   1.046  -0.451
  355    HA   THR  73           HA       THR  73  -7.064  -1.016   0.255
  356    HB   THR  73           HB       THR  73 -10.069  -1.315   0.430
  357    HG1  THR  73           HG1      THR  73  -9.753   0.270   1.750
  358   HG21  THR  73          HG21      THR  73  -7.756  -2.700   1.847
  359   HG22  THR  73          HG22      THR  73  -8.814  -3.415   0.604
  360   HG23  THR  73          HG23      THR  73  -9.481  -2.968   2.180
  361    H    VAL  74           H        VAL  74  -6.794  -2.832  -1.003
  362    HA   VAL  74           HA       VAL  74  -8.552  -3.310  -3.358
  363    HB   VAL  74           HB       VAL  74  -5.516  -3.027  -3.528
  364   HG11  VAL  74          HG11      VAL  74  -7.576  -3.768  -5.652
  365   HG12  VAL  74          HG12      VAL  74  -6.275  -4.806  -5.017
  366   HG13  VAL  74          HG13      VAL  74  -5.868  -3.388  -5.971
  367   HG21  VAL  74          HG21      VAL  74  -7.723  -1.327  -4.758
  368   HG22  VAL  74          HG22      VAL  74  -5.993  -1.210  -5.168
  369   HG23  VAL  74          HG23      VAL  74  -6.537  -0.806  -3.542
  370    H    TYR  75           H        TYR  75  -9.114  -5.437  -3.330
  371    HA   TYR  75           HA       TYR  75  -7.557  -7.366  -1.775
  372    HB2  TYR  75           HB2      TYR  75 -10.089  -7.473  -3.373
  373    HB3  TYR  75           HB3      TYR  75  -9.227  -8.962  -3.031
  374    HD1  TYR  75           HD1      TYR  75 -10.585  -5.912  -1.254
  375    HD2  TYR  75           HD2      TYR  75  -9.369 -10.042  -0.936
  376    HE1  TYR  75           HE1      TYR  75 -11.519  -6.020   1.047
  377    HE2  TYR  75           HE2      TYR  75 -10.298 -10.139   1.342
  378    HH   TYR  75           HH       TYR  75 -11.440  -9.028   2.979
  379    H    LEU  76           H        LEU  76  -6.431  -9.077  -2.459
  380    HA   LEU  76           HA       LEU  76  -5.115  -8.883  -5.126
  381    HB2  LEU  76           HB2      LEU  76  -4.205 -10.072  -2.477
  382    HB3  LEU  76           HB3      LEU  76  -3.274 -10.130  -3.964
  383    HG   LEU  76           HG       LEU  76  -4.100  -7.529  -2.587
  384   HD11  LEU  76          HD11      LEU  76  -1.469  -9.045  -2.561
  385   HD12  LEU  76          HD12      LEU  76  -2.566  -8.797  -1.181
  386   HD13  LEU  76          HD13      LEU  76  -1.736  -7.411  -1.910
  387   HD21  LEU  76          HD21      LEU  76  -3.694  -7.161  -4.952
  388   HD22  LEU  76          HD22      LEU  76  -2.204  -8.137  -4.897
  389   HD23  LEU  76          HD23      LEU  76  -2.295  -6.577  -4.057
  390    H    ASN  77           H        ASN  77  -7.289 -10.945  -3.394
  391    HA   ASN  77           HA       ASN  77  -6.815 -13.416  -4.798
  392    HB2  ASN  77           HB2      ASN  77  -9.370 -12.097  -3.760
  393    HB3  ASN  77           HB3      ASN  77  -9.349 -13.693  -4.486
  394   HD21  ASN  77          HD21      ASN  77 -10.395 -13.452  -2.069
  395   HD22  ASN  77          HD22      ASN  77  -9.306 -14.098  -0.833
  396    H    THR  78           H        THR  78  -7.715 -10.346  -6.057
  397    HA   THR  78           HA       THR  78  -8.601 -11.401  -8.659
  398    HB   THR  78           HB       THR  78 -10.490  -9.824  -8.650
  399    HG1  THR  78           HG1      THR  78 -11.082  -8.863  -6.650
  400   HG21  THR  78          HG21      THR  78 -10.735 -11.496  -6.114
  401   HG22  THR  78          HG22      THR  78 -10.895 -12.162  -7.754
  402   HG23  THR  78          HG23      THR  78 -12.032 -10.931  -7.182
  403    HA   PRO  79           HA       PRO  79  -6.461  -7.566 -10.008
  404    HB2  PRO  79           HB2      PRO  79  -8.691  -7.386 -12.023
  405    HB3  PRO  79           HB3      PRO  79  -6.925  -7.254 -12.272
  406    HG2  PRO  79           HG2      PRO  79  -8.202  -9.533 -12.974
  407    HG3  PRO  79           HG3      PRO  79  -6.640  -9.626 -12.077
  408    HD2  PRO  79           HD2      PRO  79  -9.431  -9.805 -10.926
  409    HD3  PRO  79           HD3      PRO  79  -8.036 -10.914 -10.700
  410    H    LEU  80           H        LEU  80  -6.908  -5.216 -10.017
  411    HA   LEU  80           HA       LEU  80  -8.972  -4.530  -8.124
  412    HB2  LEU  80           HB2      LEU  80  -8.122  -2.484  -7.930
  413    HB3  LEU  80           HB3      LEU  80  -6.693  -3.374  -8.413
  414    HG   LEU  80           HG       LEU  80  -8.392  -1.612 -10.252
  415   HD11  LEU  80          HD11      LEU  80  -6.680   0.046 -10.041
  416   HD12  LEU  80          HD12      LEU  80  -5.662  -1.035  -9.066
  417   HD13  LEU  80          HD13      LEU  80  -7.173  -0.409  -8.405
  418   HD21  LEU  80          HD21      LEU  80  -7.187  -3.301 -11.552
  419   HD22  LEU  80          HD22      LEU  80  -5.686  -2.946 -10.674
  420   HD23  LEU  80          HD23      LEU  80  -6.385  -1.734 -11.750
  421    H    ALA  81           H        ALA  81 -10.769  -3.227  -8.293
  422    HA   ALA  81           HA       ALA  81 -12.515  -3.807 -10.414
  423    HB1  ALA  81           HB1      ALA  81 -12.626  -1.593  -8.313
  424    HB2  ALA  81           HB2      ALA  81 -13.212  -3.260  -8.117
  425    HB3  ALA  81           HB3      ALA  81 -14.005  -2.169  -9.269
  426    H    GLU  82           H        GLU  82 -13.500  -2.532 -12.075
  427    HA   GLU  82           HA       GLU  82 -11.794  -0.709 -13.484
  428    HB2  GLU  82           HB2      GLU  82 -13.541  -0.364 -15.007
  429    HB3  GLU  82           HB3      GLU  82 -13.590  -2.059 -14.544
  430    HG2  GLU  82           HG2      GLU  82 -15.517  -1.617 -13.053
  431    HG3  GLU  82           HG3      GLU  82 -15.452   0.103 -13.453
  432    H    ASP  83           H        ASP  83 -13.935  -0.133 -10.859
  433    HA   ASP  83           HA       ASP  83 -14.351   2.696 -11.015
  434    HB2  ASP  83           HB2      ASP  83 -14.103   0.715  -8.715
  435    HB3  ASP  83           HB3      ASP  83 -14.645   2.387  -8.515
  436    H    ARG  84           H        ARG  84 -11.512   0.833 -10.307
  437    HA   ARG  84           HA       ARG  84 -10.060   3.171  -9.114
  438    HB2  ARG  84           HB2      ARG  84  -9.700   0.154  -8.807
  439    HB3  ARG  84           HB3      ARG  84  -8.628   1.377  -8.129
  440    HG2  ARG  84           HG2      ARG  84 -10.468   2.297  -6.778
  441    HG3  ARG  84           HG3      ARG  84 -11.570   1.063  -7.430
  442    HD2  ARG  84           HD2      ARG  84 -10.266  -0.729  -6.433
  443    HD3  ARG  84           HD3      ARG  84  -8.988   0.397  -5.951
  444    HE   ARG  84           HE       ARG  84 -10.657   1.509  -4.446
  445   HH11  ARG  84          HH11      ARG  84 -11.143  -1.959  -5.070
  446   HH12  ARG  84          HH12      ARG  84 -12.166  -2.069  -3.661
  447   HH21  ARG  84          HH21      ARG  84 -11.908   1.271  -2.858
  448   HH22  ARG  84          HH22      ARG  84 -12.748  -0.241  -2.506
  449    H    LYS  85           H        LYS  85 -10.168   1.339 -12.001
  450    HA   LYS  85           HA       LYS  85  -7.357   0.838 -12.379
  451    HB2  LYS  85           HB2      LYS  85  -9.843   0.775 -14.080
  452    HB3  LYS  85           HB3      LYS  85  -8.261   0.749 -14.891
  453    HG2  LYS  85           HG2      LYS  85  -7.544  -1.167 -13.568
  454    HG3  LYS  85           HG3      LYS  85  -9.097  -1.193 -12.696
  455    HD2  LYS  85           HD2      LYS  85 -10.279  -1.687 -14.777
  456    HD3  LYS  85           HD3      LYS  85  -8.783  -1.480 -15.706
  457    HE2  LYS  85           HE2      LYS  85  -7.758  -3.390 -14.505
  458    HE3  LYS  85           HE3      LYS  85  -9.239  -3.611 -13.565
  459    HZ1  LYS  85           HZ1      LYS  85  -9.104  -5.091 -15.497
  460    HZ2  LYS  85           HZ2      LYS  85  -9.070  -3.807 -16.527
  461    HZ3  LYS  85           HZ3      LYS  85 -10.415  -4.115 -15.601
  462    H    ASN  86           H        ASN  86  -9.184   3.744 -12.849
  463    HA   ASN  86           HA       ASN  86  -6.839   5.045 -14.183
  464    HB2  ASN  86           HB2      ASN  86  -9.805   5.181 -14.876
  465    HB3  ASN  86           HB3      ASN  86  -8.566   6.173 -15.610
  466   HD21  ASN  86          HD21      ASN  86  -7.073   5.188 -17.180
  467   HD22  ASN  86          HD22      ASN  86  -7.489   3.590 -17.807
  468    H    VAL  87           H        VAL  87  -8.506   5.126 -11.339
  469    HA   VAL  87           HA       VAL  87  -9.164   7.942 -11.153
  470    HB   VAL  87           HB       VAL  87 -10.307   6.056  -9.955
  471   HG11  VAL  87          HG11      VAL  87  -9.487   5.261  -7.825
  472   HG12  VAL  87          HG12      VAL  87  -7.985   6.187  -8.002
  473   HG13  VAL  87          HG13      VAL  87  -8.344   4.847  -9.112
  474   HG21  VAL  87          HG21      VAL  87  -9.331   8.314  -8.161
  475   HG22  VAL  87          HG22      VAL  87 -10.786   7.323  -7.936
  476   HG23  VAL  87          HG23      VAL  87 -10.677   8.411  -9.327
  477    H    GLU  88           H        GLU  88  -8.033   9.619 -10.243
  478    HA   GLU  88           HA       GLU  88  -5.129   9.244  -9.997
  479    HB2  GLU  88           HB2      GLU  88  -6.917  11.697  -9.959
  480    HB3  GLU  88           HB3      GLU  88  -5.169  11.757  -9.683
  481    HG2  GLU  88           HG2      GLU  88  -4.775  10.663 -11.879
  482    HG3  GLU  88           HG3      GLU  88  -6.515  10.636 -12.181
  483    H    LEU  89           H        LEU  89  -3.986   9.012  -8.299
  484    HA   LEU  89           HA       LEU  89  -4.935   8.702  -5.642
  485    HB2  LEU  89           HB2      LEU  89  -2.198   9.006  -6.939
  486    HB3  LEU  89           HB3      LEU  89  -2.372   8.683  -5.227
  487    HG   LEU  89           HG       LEU  89  -3.601   6.844  -7.313
  488   HD11  LEU  89          HD11      LEU  89  -1.141   6.982  -7.660
  489   HD12  LEU  89          HD12      LEU  89  -1.667   5.403  -7.068
  490   HD13  LEU  89          HD13      LEU  89  -0.896   6.561  -5.956
  491   HD21  LEU  89          HD21      LEU  89  -2.867   6.548  -4.363
  492   HD22  LEU  89          HD22      LEU  89  -3.355   5.208  -5.402
  493   HD23  LEU  89          HD23      LEU  89  -4.502   6.518  -5.071
  494    H    LEU  90           H        LEU  90  -4.982   9.974  -3.882
  495    HA   LEU  90           HA       LEU  90  -5.064  12.777  -4.078
  496    HB2  LEU  90           HB2      LEU  90  -5.182  10.740  -1.878
  497    HB3  LEU  90           HB3      LEU  90  -4.891  12.395  -1.382
  498    HG   LEU  90           HG       LEU  90  -7.214  11.667  -3.203
  499   HD11  LEU  90          HD11      LEU  90  -7.467  10.445  -1.098
  500   HD12  LEU  90          HD12      LEU  90  -8.628  11.778  -1.177
  501   HD13  LEU  90          HD13      LEU  90  -7.173  11.937  -0.166
  502   HD21  LEU  90          HD21      LEU  90  -6.589  14.072  -3.186
  503   HD22  LEU  90          HD22      LEU  90  -6.661  14.080  -1.411
  504   HD23  LEU  90          HD23      LEU  90  -8.129  13.811  -2.369
  505    H    GLY  91           H        GLY  91  -2.201  10.868  -3.402
  506    HA2  GLY  91           HA2      GLY  91  -0.531  13.224  -3.644
  507    HA3  GLY  91           HA3      GLY  91  -0.625  12.647  -1.988
  508    H    LYS  92           H        LYS  92   1.798  12.609  -2.705
  509    HA   LYS  92           HA       LYS  92   2.920  10.403  -4.104
  510    HB2  LYS  92           HB2      LYS  92   3.878  12.605  -3.222
  511    HB3  LYS  92           HB3      LYS  92   4.104  11.787  -1.685
  512    HG2  LYS  92           HG2      LYS  92   5.880  10.558  -2.438
  513    HG3  LYS  92           HG3      LYS  92   5.216  10.359  -4.062
  514    HD2  LYS  92           HD2      LYS  92   5.662  12.711  -4.587
  515    HD3  LYS  92           HD3      LYS  92   6.346  12.966  -2.966
  516    HE2  LYS  92           HE2      LYS  92   8.154  11.366  -3.466
  517    HE3  LYS  92           HE3      LYS  92   7.446  11.038  -5.060
  518    HZ1  LYS  92           HZ1      LYS  92   8.478  13.686  -4.176
  519    HZ2  LYS  92           HZ2      LYS  92   7.863  13.365  -5.646
  520    HZ3  LYS  92           HZ3      LYS  92   9.263  12.645  -5.188
  521    H    MET  93           H        MET  93   3.467   8.286  -3.417
  522    HA   MET  93           HA       MET  93   1.895   7.093  -1.328
  523    HB2  MET  93           HB2      MET  93   2.771   5.917  -3.342
  524    HB3  MET  93           HB3      MET  93   4.410   6.005  -2.676
  525    HG2  MET  93           HG2      MET  93   3.704   4.686  -0.699
  526    HG3  MET  93           HG3      MET  93   2.042   4.693  -1.281
  527    HE1  MET  93           HE1      MET  93   5.447   1.972  -2.881
  528    HE2  MET  93           HE2      MET  93   5.494   2.865  -1.348
  529    HE3  MET  93           HE3      MET  93   5.640   3.738  -2.897
  530    H    TYR  94           H        TYR  94   2.260   6.906   0.864
  531    HA   TYR  94           HA       TYR  94   5.048   7.439   1.855
  532    HB2  TYR  94           HB2      TYR  94   3.476   9.119   2.647
  533    HB3  TYR  94           HB3      TYR  94   2.397   7.868   3.249
  534    HD1  TYR  94           HD1      TYR  94   6.146   8.386   3.553
  535    HD2  TYR  94           HD2      TYR  94   2.397   7.802   5.594
  536    HE1  TYR  94           HE1      TYR  94   7.318   8.486   5.730
  537    HE2  TYR  94           HE2      TYR  94   3.569   7.965   7.781
  538    HH   TYR  94           HH       TYR  94   7.118   8.531   7.995
  539    H    LYS  95           H        LYS  95   2.185   5.273   2.224
  540    HA   LYS  95           HA       LYS  95   4.069   3.119   2.780
  541    HB2  LYS  95           HB2      LYS  95   3.402   4.512   4.992
  542    HB3  LYS  95           HB3      LYS  95   1.993   3.481   4.951
  543    HG2  LYS  95           HG2      LYS  95   3.209   1.577   5.467
  544    HG3  LYS  95           HG3      LYS  95   4.644   2.098   4.592
  545    HD2  LYS  95           HD2      LYS  95   3.811   3.345   7.226
  546    HD3  LYS  95           HD3      LYS  95   4.941   1.986   7.067
  547    HE2  LYS  95           HE2      LYS  95   6.267   3.486   5.458
  548    HE3  LYS  95           HE3      LYS  95   5.264   4.828   6.005
  549    HZ1  LYS  95           HZ1      LYS  95   6.892   3.125   7.829
  550    HZ2  LYS  95           HZ2      LYS  95   6.065   4.487   8.236
  551    HZ3  LYS  95           HZ3      LYS  95   7.374   4.570   7.225
  552    H    THR  96           H        THR  96   3.208   1.032   2.701
  553    HA   THR  96           HA       THR  96   0.306   0.705   2.111
  554    HB   THR  96           HB       THR  96   2.483  -0.724   0.533
  555    HG1  THR  96           HG1      THR  96   2.180   1.473   0.086
  556   HG21  THR  96          HG21      THR  96   0.611  -1.408  -0.939
  557   HG22  THR  96          HG22      THR  96  -0.547  -0.649   0.163
  558   HG23  THR  96          HG23      THR  96   0.383  -2.066   0.678
  559    H    TYR  97           H        TYR  97  -0.515  -1.159   2.773
  560    HA   TYR  97           HA       TYR  97   1.117  -2.889   4.613
  561    HB2  TYR  97           HB2      TYR  97  -1.698  -1.834   5.040
  562    HB3  TYR  97           HB3      TYR  97  -0.823  -2.876   6.124
  563    HD1  TYR  97           HD1      TYR  97  -1.054   0.551   4.714
  564    HD2  TYR  97           HD2      TYR  97   0.830  -1.981   7.650
  565    HE1  TYR  97           HE1      TYR  97  -0.079   2.546   5.821
  566    HE2  TYR  97           HE2      TYR  97   1.767   0.025   8.772
  567    HH   TYR  97           HH       TYR  97   1.220   3.350   7.559
  568    H    PHE  98           H        PHE  98   0.782  -5.026   4.466
  569    HA   PHE  98           HA       PHE  98  -1.250  -6.074   2.521
  570    HB2  PHE  98           HB2      PHE  98   1.674  -6.730   2.911
  571    HB3  PHE  98           HB3      PHE  98   0.587  -7.712   1.954
  572    HD1  PHE  98           HD1      PHE  98   2.299  -4.400   2.128
  573    HD2  PHE  98           HD2      PHE  98  -0.042  -7.121  -0.257
  574    HE1  PHE  98           HE1      PHE  98   2.824  -3.078   0.080
  575    HE2  PHE  98           HE2      PHE  98   0.514  -5.810  -2.298
  576    HZ   PHE  98           HZ       PHE  98   1.970  -3.817  -2.127
  577    H    PHE  99           H        PHE  99  -2.151  -8.010   2.875
  578    HA   PHE  99           HA       PHE  99  -1.978  -9.159   5.646
  579    HB2  PHE  99           HB2      PHE  99  -4.367  -8.421   3.899
  580    HB3  PHE  99           HB3      PHE  99  -4.489  -9.193   5.456
  581    HD1  PHE  99           HD1      PHE  99  -3.302  -6.042   3.778
  582    HD2  PHE  99           HD2      PHE  99  -4.754  -7.823   7.430
  583    HE1  PHE  99           HE1      PHE  99  -3.218  -3.870   4.882
  584    HE2  PHE  99           HE2      PHE  99  -4.846  -5.564   8.460
  585    HZ   PHE  99           HZ       PHE  99  -4.012  -3.589   7.207
  586    H    LYS 100           H        LYS 100  -1.739 -11.361   5.657
  587    HA   LYS 100           HA       LYS 100  -1.950 -12.939   3.201
  588    HB2  LYS 100           HB2      LYS 100  -1.730 -13.979   6.037
  589    HB3  LYS 100           HB3      LYS 100  -1.650 -14.904   4.545
  590    HG2  LYS 100           HG2      LYS 100   0.502 -14.783   4.764
  591    HG3  LYS 100           HG3      LYS 100   0.349 -13.214   3.981
  592    HD2  LYS 100           HD2      LYS 100   0.583 -12.052   6.041
  593    HD3  LYS 100           HD3      LYS 100   0.310 -13.498   7.017
  594    HE2  LYS 100           HE2      LYS 100   2.722 -13.090   5.207
  595    HE3  LYS 100           HE3      LYS 100   2.700 -12.738   6.943
  596    HZ1  LYS 100           HZ1      LYS 100   2.231 -15.401   5.742
  597    HZ2  LYS 100           HZ2      LYS 100   2.204 -15.093   7.358
  598    HZ3  LYS 100           HZ3      LYS 100   3.603 -14.937   6.496
  599    H    LYS 101           H        LYS 101  -3.370 -14.825   3.024
  600    HA   LYS 101           HA       LYS 101  -6.095 -14.518   2.980
  601    HB2  LYS 101           HB2      LYS 101  -6.233 -16.994   3.268
  602    HB3  LYS 101           HB3      LYS 101  -5.166 -16.420   2.002
  603    HG2  LYS 101           HG2      LYS 101  -3.200 -16.970   3.198
  604    HG3  LYS 101           HG3      LYS 101  -4.052 -17.190   4.721
  605    HD2  LYS 101           HD2      LYS 101  -4.488 -18.928   2.260
  606    HD3  LYS 101           HD3      LYS 101  -3.351 -19.328   3.543
  607    HE2  LYS 101           HE2      LYS 101  -6.347 -18.918   4.003
  608    HE3  LYS 101           HE3      LYS 101  -5.594 -20.477   3.681
  609    HZ1  LYS 101           HZ1      LYS 101  -5.847 -20.133   6.049
  610    HZ2  LYS 101           HZ2      LYS 101  -4.263 -20.222   5.677
  611    HZ3  LYS 101           HZ3      LYS 101  -4.942 -18.767   6.026
  612    H    GLY 102           H        GLY 102  -7.521 -13.810   4.333
  613    HA2  GLY 102           HA2      GLY 102  -8.944 -13.778   6.134
  614    HA3  GLY 102           HA3      GLY 102  -8.015 -15.065   6.901
  615    H    GLU 103           H        GLU 103  -5.787 -12.564   6.310
  616    HA   GLU 103           HA       GLU 103  -5.754 -11.905   9.144
  617    HB2  GLU 103           HB2      GLU 103  -4.119 -10.816   6.829
  618    HB3  GLU 103           HB3      GLU 103  -3.902 -10.368   8.522
  619    HG2  GLU 103           HG2      GLU 103  -3.663 -12.909   8.963
  620    HG3  GLU 103           HG3      GLU 103  -3.431 -13.065   7.230
  621    H    SER 104           H        SER 104  -6.039 -10.033  10.169
  622    HA   SER 104           HA       SER 104  -7.364  -7.754   8.746
  623    HB2  SER 104           HB2      SER 104  -8.696  -7.362  10.716
  624    HB3  SER 104           HB3      SER 104  -9.127  -8.845   9.974
  625    HG   SER 104           HG       SER 104  -8.143  -9.992  11.558
  626    H    LYS 105           H        LYS 105  -4.601  -8.611  10.372
  627    HA   LYS 105           HA       LYS 105  -3.962  -5.720  10.619
  628    HB2  LYS 105           HB2      LYS 105  -4.401  -6.487  12.897
  629    HB3  LYS 105           HB3      LYS 105  -3.283  -7.850  12.668
  630    HG2  LYS 105           HG2      LYS 105  -1.416  -6.366  12.517
  631    HG3  LYS 105           HG3      LYS 105  -2.415  -4.932  12.525
  632    HD2  LYS 105           HD2      LYS 105  -1.414  -5.276  14.748
  633    HD3  LYS 105           HD3      LYS 105  -3.166  -5.465  14.864
  634    HE2  LYS 105           HE2      LYS 105  -3.042  -7.798  14.985
  635    HE3  LYS 105           HE3      LYS 105  -1.368  -7.825  14.369
  636    HZ1  LYS 105           HZ1      LYS 105  -1.985  -6.590  16.999
  637    HZ2  LYS 105           HZ2      LYS 105  -0.536  -7.083  16.386
  638    HZ3  LYS 105           HZ3      LYS 105  -1.622  -8.197  16.831
  639    H    SER 106           H        SER 106  -2.264  -5.285   9.373
  640    HA   SER 106           HA       SER 106  -1.408  -7.177   7.497
  641    HB2  SER 106           HB2      SER 106   0.138  -5.523   6.665
  642    HB3  SER 106           HB3      SER 106  -1.344  -4.733   7.199
  643    HG   SER 106           HG       SER 106   1.224  -4.764   8.432
  644    H    SER 107           H        SER 107   0.623  -8.063   6.925
  645    HA   SER 107           HA       SER 107   2.590  -8.575   9.157
  646    HB2  SER 107           HB2      SER 107   1.039 -10.512   8.358
  647    HB3  SER 107           HB3      SER 107   1.944 -10.432   6.844
  648    HG   SER 107           HG       SER 107   2.862 -11.009   9.459
  649    H    TYR 108           H        TYR 108   2.199  -7.340   6.030
  650    HA   TYR 108           HA       TYR 108   5.128  -7.129   5.637
  651    HB2  TYR 108           HB2      TYR 108   4.557  -8.998   4.250
  652    HB3  TYR 108           HB3      TYR 108   3.141  -8.200   3.621
  653    HD1  TYR 108           HD1      TYR 108   6.867  -7.682   3.775
  654    HD2  TYR 108           HD2      TYR 108   3.293  -7.424   1.414
  655    HE1  TYR 108           HE1      TYR 108   8.235  -7.021   1.756
  656    HE2  TYR 108           HE2      TYR 108   4.633  -6.779  -0.561
  657    HH   TYR 108           HH       TYR 108   6.796  -6.621  -1.459
  658    H    VAL 109           H        VAL 109   5.729  -5.226   4.851
  659    HA   VAL 109           HA       VAL 109   3.713  -3.144   4.179
  660    HB   VAL 109           HB       VAL 109   5.032  -1.618   5.787
  661   HG11  VAL 109          HG11      VAL 109   3.719  -2.168   7.716
  662   HG12  VAL 109          HG12      VAL 109   3.339  -3.778   7.053
  663   HG13  VAL 109          HG13      VAL 109   2.746  -2.303   6.224
  664   HG21  VAL 109          HG21      VAL 109   6.138  -2.576   7.639
  665   HG22  VAL 109          HG22      VAL 109   6.793  -3.393   6.198
  666   HG23  VAL 109          HG23      VAL 109   5.637  -4.234   7.226
  667    H    ILE 110           H        ILE 110   4.534  -1.290   3.223
  668    HA   ILE 110           HA       ILE 110   7.369  -1.358   2.274
  669    HB   ILE 110           HB       ILE 110   4.984  -1.042   0.481
  670   HG12  ILE 110          HG12      ILE 110   6.468  -3.603   1.095
  671   HG13  ILE 110          HG13      ILE 110   4.749  -3.301   1.103
  672   HG21  ILE 110          HG21      ILE 110   7.882  -1.610  -0.307
  673   HG22  ILE 110          HG22      ILE 110   7.185   0.016  -0.233
  674   HG23  ILE 110          HG23      ILE 110   6.527  -1.153  -1.356
  675   HD11  ILE 110          HD11      ILE 110   5.103  -4.601  -0.780
  676   HD12  ILE 110          HD12      ILE 110   6.595  -3.766  -1.199
  677   HD13  ILE 110          HD13      ILE 110   5.002  -2.971  -1.459
  678    H    ASN 111           H        ASN 111   8.213   0.622   2.351
  679    HA   ASN 111           HA       ASN 111   6.415   2.885   3.054
  680    HB2  ASN 111           HB2      ASN 111   9.440   2.701   3.153
  681    HB3  ASN 111           HB3      ASN 111   8.440   3.942   3.886
  682   HD21  ASN 111          HD21      ASN 111  10.336   2.448   5.319
  683   HD22  ASN 111          HD22      ASN 111   9.511   1.429   6.480
  684    H    GLY 112           H        GLY 112   6.838   5.029   2.099
  685    HA2  GLY 112           HA2      GLY 112   8.124   5.029  -0.590
  686    HA3  GLY 112           HA3      GLY 112   6.406   5.418  -0.504
  687    HA   PRO 113           HA       PRO 113   9.434   8.992   0.262
  688    HB2  PRO 113           HB2      PRO 113   9.741  10.162  -2.168
  689    HB3  PRO 113           HB3      PRO 113  10.439   8.555  -1.835
  690    HG2  PRO 113           HG2      PRO 113   7.747   9.136  -3.145
  691    HG3  PRO 113           HG3      PRO 113   9.084   8.155  -3.814
  692    HD2  PRO 113           HD2      PRO 113   7.029   7.035  -2.419
  693    HD3  PRO 113           HD3      PRO 113   8.700   6.415  -2.273
  694    H    GLY 114           H        GLY 114   6.472   8.962   0.645
  695    HA2  GLY 114           HA2      GLY 114   5.672  11.750   0.070
  696    HA3  GLY 114           HA3      GLY 114   4.729  10.514   0.907
  697    H    LYS 115           H        LYS 115   7.409  10.169   2.574
  698    HA   LYS 115           HA       LYS 115   8.047  10.593   4.679
  699    HB2  LYS 115           HB2      LYS 115   7.963  13.481   3.791
  700    HB3  LYS 115           HB3      LYS 115   8.954  12.779   5.075
  701    HG2  LYS 115           HG2      LYS 115  10.174  11.394   3.419
  702    HG3  LYS 115           HG3      LYS 115   9.206  12.115   2.115
  703    HD2  LYS 115           HD2      LYS 115  10.014  14.372   2.847
  704    HD3  LYS 115           HD3      LYS 115  11.126  13.574   3.977
  705    HE2  LYS 115           HE2      LYS 115  12.282  12.457   2.139
  706    HE3  LYS 115           HE3      LYS 115  11.062  13.019   0.982
  707    HZ1  LYS 115           HZ1      LYS 115  12.976  14.423   0.826
  708    HZ2  LYS 115           HZ2      LYS 115  12.967  14.765   2.443
  709    HZ3  LYS 115           HZ3      LYS 115  11.756  15.308   1.497
  710    H    THR 116           H        THR 116   4.911  11.597   4.101
  711    HA   THR 116           HA       THR 116   4.068  11.114   6.771
  712    HB   THR 116           HB       THR 116   4.926  13.394   7.197
  713    HG1  THR 116           HG1      THR 116   3.282  13.891   8.300
  714   HG21  THR 116          HG21      THR 116   2.921  14.380   5.120
  715   HG22  THR 116          HG22      THR 116   4.687  14.443   4.962
  716   HG23  THR 116          HG23      THR 116   3.879  15.376   6.231
  717    H    ASN 117           H        ASN 117   1.671  11.207   6.876
  718    HA   ASN 117           HA       ASN 117   0.330  11.201   4.237
  719    HB2  ASN 117           HB2      ASN 117  -0.699  10.688   7.067
  720    HB3  ASN 117           HB3      ASN 117  -1.632  10.543   5.584
  721   HD21  ASN 117          HD21      ASN 117  -0.479   9.144   3.839
  722   HD22  ASN 117          HD22      ASN 117   0.221   7.641   4.446
  723    H    GLU 118           H        GLU 118   1.101  13.431   6.760
  724    HA   GLU 118           HA       GLU 118  -1.269  15.052   6.672
  725    HB2  GLU 118           HB2      GLU 118   1.454  15.615   7.898
  726    HB3  GLU 118           HB3      GLU 118  -0.038  16.518   8.176
  727    HG2  GLU 118           HG2      GLU 118  -1.108  14.411   9.035
  728    HG3  GLU 118           HG3      GLU 118   0.469  13.615   8.937
  729    H    TYR 119           H        TYR 119  -1.407  15.453   4.409
  730    HA   TYR 119           HA       TYR 119  -1.377  16.840   2.625
  731    HB2  TYR 119           HB2      TYR 119  -1.439  18.870   4.861
  732    HB3  TYR 119           HB3      TYR 119  -2.181  19.043   3.270
  733    HD1  TYR 119           HD1      TYR 119  -4.117  17.568   2.609
  734    HD2  TYR 119           HD2      TYR 119  -2.550  17.715   6.630
  735    HE1  TYR 119           HE1      TYR 119  -6.129  16.343   3.439
  736    HE2  TYR 119           HE2      TYR 119  -4.550  16.498   7.454
  737    HH   TYR 119           HH       TYR 119  -7.103  15.315   5.231
  738    H    ALA 120           H        ALA 120   1.250  16.200   2.948
  739    HA   ALA 120           HA       ALA 120   3.406  16.762   2.500
  740    HB1  ALA 120           HB1      ALA 120   2.299  16.700   0.312
  741    HB2  ALA 120           HB2      ALA 120   3.685  17.805   0.318
  742    HB3  ALA 120           HB3      ALA 120   2.026  18.452   0.386
  743    H    TYR 121           H        TYR 121   2.743  18.158   4.754
  744    HA   TYR 121           HA       TYR 121   4.812  20.214   4.525
  745    HB2  TYR 121           HB2      TYR 121   2.620  21.437   4.236
  746    HB3  TYR 121           HB3      TYR 121   2.203  20.975   5.878
  747    HD1  TYR 121           HD1      TYR 121   4.422  23.020   3.753
  748    HD2  TYR 121           HD2      TYR 121   3.406  21.965   7.808
  749    HE1  TYR 121           HE1      TYR 121   5.860  24.877   4.603
  750    HE2  TYR 121           HE2      TYR 121   4.800  23.848   8.650
  751    HH   TYR 121           HH       TYR 121   6.229  25.549   8.098
  752    H1   ACE   6           H1       ACE   6  22.655  -3.475  -3.500
  753    H2   ACE   6           H2       ACE   6  24.237  -2.673  -3.642
  754    H3   ACE   6           H3       ACE   6  23.980  -4.276  -4.371
  755    H    THR   7           H        THR   7  21.718  -4.142  -5.688
  756    HA   THR   7           HA       THR   7  21.812  -1.839  -7.566
  757    HB   THR   7           HB       THR   7  23.341  -3.579  -8.421
  758    HG1  THR   7           HG1      THR   7  20.967  -3.041  -9.795
  759   HG21  THR   7          HG21      THR   7  20.875  -5.342  -8.713
  760   HG22  THR   7          HG22      THR   7  22.232  -5.619  -7.601
  761   HG23  THR   7          HG23      THR   7  22.501  -5.668  -9.345
  762    H    THR   8           H        THR   8  19.870  -2.844  -5.527
  763    HA   THR   8           HA       THR   8  17.471  -3.173  -7.299
  764    HB   THR   8           HB       THR   8  17.859  -4.440  -4.569
  765    HG1  THR   8           HG1      THR   8  17.612  -6.356  -5.971
  766   HG21  THR   8          HG21      THR   8  15.477  -3.913  -5.145
  767   HG22  THR   8          HG22      THR   8  15.652  -4.853  -6.642
  768   HG23  THR   8          HG23      THR   8  15.784  -5.625  -5.039
  769    HA   PRO   9           HA       PRO   9  15.863   0.499  -5.079
  770    HB2  PRO   9           HB2      PRO   9  13.307  -0.836  -5.940
  771    HB3  PRO   9           HB3      PRO   9  13.765   0.899  -6.048
  772    HG2  PRO   9           HG2      PRO   9  13.821  -0.651  -8.244
  773    HG3  PRO   9           HG3      PRO   9  15.178   0.480  -7.901
  774    HD2  PRO   9           HD2      PRO   9  15.049  -2.491  -7.376
  775    HD3  PRO   9           HD3      PRO   9  16.371  -1.519  -8.100
  776    H    ASP  10           H        ASP  10  13.865   0.826  -3.529
  777    HA   ASP  10           HA       ASP  10  13.870  -1.156  -1.381
  778    HB2  ASP  10           HB2      ASP  10  12.495   1.472  -1.923
  779    HB3  ASP  10           HB3      ASP  10  11.688   0.326  -0.857
  780    H2   TYS  11           H2       TYS  11  12.594  -2.838  -1.161
  781    HA   TYS  11           HA       TYS  11  10.275  -3.332  -2.756
  782    HB2  TYS  11           HB2      TYS  11  12.877  -4.733  -3.399
  783    HB3  TYS  11           HB3      TYS  11  11.397  -5.684  -3.385
  784    HD1  TYS  11           HD1      TYS  11   9.307  -4.328  -4.290
  785    HD2  TYS  11           HD2      TYS  11  13.323  -3.866  -5.658
  786    HE1  TYS  11           HE1      TYS  11   8.458  -3.276  -6.252
  787    HE2  TYS  11           HE2      TYS  11  12.473  -3.006  -7.810
  788    H    GLY  12           H        GLY  12   9.852  -2.838  -0.856
  789    HA2  GLY  12           HA2      GLY  12   8.561  -3.211   0.927
  790    HA3  GLY  12           HA3      GLY  12   8.449  -4.871   0.390
  791    H    HIS  13           H        HIS  13   8.222  -4.602   3.047
  792    HA   HIS  13           HA       HIS  13  10.375  -6.377   3.817
  793    HB2  HIS  13           HB2      HIS  13  10.965  -5.246   5.882
  794    HB3  HIS  13           HB3      HIS  13  11.529  -4.340   4.482
  795    HD1  HIS  13           HD1      HIS  13   9.837  -2.128   3.779
  796    HD2  HIS  13           HD2      HIS  13   9.294  -3.960   7.547
  797    HE1  HIS  13           HE1      HIS  13   8.235  -0.651   5.084
  798    HE2  HIS  13           HE2      HIS  13   8.238  -1.554   7.534
  799    H2   TYS  14           H2       TYS  14   9.875  -7.599   5.659
  800    HA   TYS  14           HA       TYS  14   7.026  -7.441   6.500
  801    HB2  TYS  14           HB2      TYS  14   9.121  -9.601   6.907
  802    HB3  TYS  14           HB3      TYS  14   7.557  -9.603   7.675
  803    HD1  TYS  14           HD1      TYS  14   8.988  -9.373   4.094
  804    HD2  TYS  14           HD2      TYS  14   5.719 -10.654   6.655
  805    HE1  TYS  14           HE1      TYS  14   8.254 -10.861   2.415
  806    HE2  TYS  14           HE2      TYS  14   4.978 -12.164   4.898
  807    H    ASP  15           H        ASP  15   6.310  -7.201   8.452
  808    HA   ASP  15           HA       ASP  15   7.956  -6.528  10.692
  809    HB2  ASP  15           HB2      ASP  15   7.976  -4.442   8.982
  810    HB3  ASP  15           HB3      ASP  15   6.461  -4.100   9.698
  811    H    ASP  16           H        ASP  16   6.629  -5.671  12.430
  812    HA   ASP  16           HA       ASP  16   3.693  -6.099  12.315
  813    HB2  ASP  16           HB2      ASP  16   5.577  -7.679  14.112
  814    HB3  ASP  16           HB3      ASP  16   3.840  -7.553  14.388
  815    H    LYS  17           H        LYS  17   6.202  -4.101  13.228
  816    HA   LYS  17           HA       LYS  17   5.029  -3.204  15.790
  817    HB2  LYS  17           HB2      LYS  17   6.989  -2.064  16.166
  818    HB3  LYS  17           HB3      LYS  17   7.518  -3.481  15.269
  819    HG2  LYS  17           HG2      LYS  17   7.346  -1.860  13.173
  820    HG3  LYS  17           HG3      LYS  17   7.392  -0.592  14.415
  821    HD2  LYS  17           HD2      LYS  17   9.494  -1.710  15.323
  822    HD3  LYS  17           HD3      LYS  17   9.470  -2.746  13.889
  823    HE2  LYS  17           HE2      LYS  17   9.782   0.287  13.970
  824    HE3  LYS  17           HE3      LYS  17  11.029  -0.907  13.583
  825    HZ1  LYS  17           HZ1      LYS  17  10.231  -0.076  11.534
  826    HZ2  LYS  17           HZ2      LYS  17   8.656  -0.201  11.962
  827    HZ3  LYS  17           HZ3      LYS  17   9.517  -1.566  11.673
  828    H    ASP  18           H        ASP  18   4.713  -2.293  12.514
  829    HA   ASP  18           HA       ASP  18   3.608   0.411  13.245
  830    HB2  ASP  18           HB2      ASP  18   4.829  -0.510  10.613
  831    HB3  ASP  18           HB3      ASP  18   4.272   1.117  10.998
  832    H    THR  19           H        THR  19   2.562  -2.568  12.420
  833    HA   THR  19           HA       THR  19   1.173  -2.559  10.096
  834    HB   THR  19           HB       THR  19   1.381  -4.632  11.326
  835    HG1  THR  19           HG1      THR  19  -0.254  -4.668  10.035
  836   HG21  THR  19          HG21      THR  19  -0.455  -3.610  13.448
  837   HG22  THR  19          HG22      THR  19   1.314  -3.729  13.603
  838   HG23  THR  19          HG23      THR  19   0.394  -5.190  13.324
  839    H    LEU  20           H        LEU  20  -0.999  -2.425   9.381
  840    HA   LEU  20           HA       LEU  20  -2.698  -0.486  10.839
  841    HB2  LEU  20           HB2      LEU  20  -2.168   0.139   8.488
  842    HB3  LEU  20           HB3      LEU  20  -2.771  -1.439   7.957
  843    HG   LEU  20           HG       LEU  20  -4.989  -0.803   8.984
  844   HD11  LEU  20          HD11      LEU  20  -5.438   1.628   9.300
  845   HD12  LEU  20          HD12      LEU  20  -3.706   1.969   9.095
  846   HD13  LEU  20          HD13      LEU  20  -4.277   1.030  10.490
  847   HD21  LEU  20          HD21      LEU  20  -5.583   0.637   7.054
  848   HD22  LEU  20          HD22      LEU  20  -4.511  -0.706   6.648
  849   HD23  LEU  20          HD23      LEU  20  -3.845   0.935   6.758
  850    H    ASP  21           H        ASP  21  -3.986  -1.444  12.142
  851    HA   ASP  21           HA       ASP  21  -4.933  -4.196  11.858
  852    HB2  ASP  21           HB2      ASP  21  -5.585  -3.948  14.185
  853    HB3  ASP  21           HB3      ASP  21  -3.891  -3.576  13.910
  854    H    LEU  22           H        LEU  22  -6.408  -4.115  10.259
  855    HA   LEU  22           HA       LEU  22  -8.622  -2.236   9.982
  856    HB2  LEU  22           HB2      LEU  22  -7.705  -4.803   8.691
  857    HB3  LEU  22           HB3      LEU  22  -9.419  -4.393   8.558
  858    HG   LEU  22           HG       LEU  22  -8.889  -2.361   7.356
  859   HD11  LEU  22          HD11      LEU  22  -6.473  -1.914   6.753
  860   HD12  LEU  22          HD12      LEU  22  -6.006  -3.063   8.031
  861   HD13  LEU  22          HD13      LEU  22  -6.912  -1.581   8.435
  862   HD21  LEU  22          HD21      LEU  22  -7.081  -4.628   6.396
  863   HD22  LEU  22          HD22      LEU  22  -7.754  -3.316   5.402
  864   HD23  LEU  22          HD23      LEU  22  -8.848  -4.520   6.103
  865    H    ASN  23           H        ASN  23  -8.310  -5.491  11.268
  866    HA   ASN  23           HA       ASN  23  -9.644  -6.956  12.443
  867    HB2  ASN  23           HB2      ASN  23  -9.654  -4.388  13.946
  868    HB3  ASN  23           HB3      ASN  23 -10.192  -5.912  14.651
  869   HD21  ASN  23          HD21      ASN  23  -7.800  -7.262  12.952
  870   HD22  ASN  23          HD22      ASN  23  -6.574  -7.050  14.183
  871    H    THR  24           H        THR  24 -11.650  -4.530  11.155
  872    HA   THR  24           HA       THR  24 -14.027  -5.012  12.439
  873    HB   THR  24           HB       THR  24 -13.664  -3.122  11.099
  874    HG1  THR  24           HG1      THR  24 -15.783  -3.760  11.299
  875   HG21  THR  24          HG21      THR  24 -13.674  -3.165   8.641
  876   HG22  THR  24          HG22      THR  24 -13.636  -4.937   8.672
  877   HG23  THR  24          HG23      THR  24 -12.269  -3.997   9.318
  878    HA   PRO  25           HA       PRO  25 -15.451  -8.678   9.788
  879    HB2  PRO  25           HB2      PRO  25 -13.627 -10.651   9.269
  880    HB3  PRO  25           HB3      PRO  25 -14.050  -9.341   8.122
  881    HG2  PRO  25           HG2      PRO  25 -11.689  -9.473   9.996
  882    HG3  PRO  25           HG3      PRO  25 -11.709  -9.008   8.279
  883    HD2  PRO  25           HD2      PRO  25 -11.674  -7.176  10.200
  884    HD3  PRO  25           HD3      PRO  25 -12.615  -6.914   8.714
  885    H    VAL  26           H        VAL  26 -15.941 -10.791  10.658
  886    HA   VAL  26           HA       VAL  26 -14.955 -11.410  13.372
  887    HB   VAL  26           HB       VAL  26 -16.451  -9.440  13.592
  888   HG11  VAL  26          HG11      VAL  26 -18.026  -9.787  11.770
  889   HG12  VAL  26          HG12      VAL  26 -18.874  -9.660  13.316
  890   HG13  VAL  26          HG13      VAL  26 -18.665 -11.243  12.554
  891   HG21  VAL  26          HG21      VAL  26 -17.777 -10.209  15.425
  892   HG22  VAL  26          HG22      VAL  26 -16.196 -10.993  15.442
  893   HG23  VAL  26          HG23      VAL  26 -17.633 -11.892  14.911
  894    H    ASP  27           H        ASP  27 -15.545 -13.500  14.090
  895    HA   ASP  27           HA       ASP  27 -16.575 -15.315  12.008
  896    HB2  ASP  27           HB2      ASP  27 -15.605 -15.813  14.845
  897    HB3  ASP  27           HB3      ASP  27 -16.121 -17.077  13.729
  898    H    LYS  28           H        LYS  28 -18.103 -13.375  14.193
  899    HA   LYS  28           HA       LYS  28 -20.621 -14.987  14.254
  900    HB2  LYS  28           HB2      LYS  28 -19.677 -14.798  16.496
  901    HB3  LYS  28           HB3      LYS  28 -19.599 -13.035  16.351
  902    HG2  LYS  28           HG2      LYS  28 -22.068 -12.927  16.109
  903    HG3  LYS  28           HG3      LYS  28 -22.168 -14.684  16.180
  904    HD2  LYS  28           HD2      LYS  28 -21.182 -12.873  18.437
  905    HD3  LYS  28           HD3      LYS  28 -22.808 -13.559  18.280
  906    HE2  LYS  28           HE2      LYS  28 -21.649 -15.867  18.171
  907    HE3  LYS  28           HE3      LYS  28 -20.193 -15.051  18.748
  908    HZ1  LYS  28           HZ1      LYS  28 -21.522 -16.005  20.535
  909    HZ2  LYS  28           HZ2      LYS  28 -21.476 -14.360  20.721
  910    HZ3  LYS  28           HZ3      LYS  28 -22.822 -15.096  20.134
  911    HN1  NH2  29           HN1      NH2  29 -21.465 -14.168  12.358
  912    HN2  NH2  29           HN2      NH2  29 -21.856 -12.470  12.151
  Start of MODEL    9
    1    H1   ASN  31           H1       ASN  31   8.759  11.821 -22.453
    2    H2   ASN  31           H2       ASN  31   9.973  10.814 -22.023
    3    H3   ASN  31           H3       ASN  31  10.310  12.377 -22.421
    4    HA   ASN  31           HA       ASN  31   8.830  11.420 -20.072
    5    HB2  ASN  31           HB2      ASN  31  11.328  13.156 -20.031
    6    HB3  ASN  31           HB3      ASN  31  10.618  12.228 -18.716
    7   HD21  ASN  31          HD21      ASN  31  11.086   9.874 -18.632
    8   HD22  ASN  31          HD22      ASN  31  12.316   9.209 -19.717
    9    H    SER  32           H        SER  32   7.047  12.618 -19.842
   10    HA   SER  32           HA       SER  32   7.243  15.597 -19.847
   11    HB2  SER  32           HB2      SER  32   5.061  14.035 -21.294
   12    HB3  SER  32           HB3      SER  32   5.154  15.794 -21.117
   13    HG   SER  32           HG       SER  32   6.836  14.065 -22.594
   14    H    GLY  33           H        GLY  33   6.417  12.923 -18.072
   15    HA2  GLY  33           HA2      GLY  33   5.139  14.199 -15.956
   16    HA3  GLY  33           HA3      GLY  33   3.828  13.632 -16.999
   17    H    LEU  34           H        LEU  34   3.697  12.550 -14.634
   18    HA   LEU  34           HA       LEU  34   4.742   9.763 -14.912
   19    HB2  LEU  34           HB2      LEU  34   4.942  11.575 -12.472
   20    HB3  LEU  34           HB3      LEU  34   5.246   9.844 -12.424
   21    HG   LEU  34           HG       LEU  34   6.856  11.802 -14.130
   22   HD11  LEU  34          HD11      LEU  34   7.116  12.237 -11.719
   23   HD12  LEU  34          HD12      LEU  34   8.589  11.592 -12.449
   24   HD13  LEU  34          HD13      LEU  34   7.554  10.530 -11.469
   25   HD21  LEU  34          HD21      LEU  34   6.956   9.469 -14.977
   26   HD22  LEU  34          HD22      LEU  34   7.376   8.894 -13.346
   27   HD23  LEU  34          HD23      LEU  34   8.488   9.946 -14.245
   28    HA   PRO  35           HA       PRO  35   0.576   8.736 -13.990
   29    HB2  PRO  35           HB2      PRO  35   0.795   6.169 -12.968
   30    HB3  PRO  35           HB3      PRO  35   0.951   6.589 -14.688
   31    HG2  PRO  35           HG2      PRO  35   3.139   6.130 -12.670
   32    HG3  PRO  35           HG3      PRO  35   3.057   5.579 -14.374
   33    HD2  PRO  35           HD2      PRO  35   4.509   7.760 -13.596
   34    HD3  PRO  35           HD3      PRO  35   3.691   7.689 -15.184
   35    H    THR  36           H        THR  36  -0.889   8.980 -12.442
   36    HA   THR  36           HA       THR  36  -0.270   8.486  -9.573
   37    HB   THR  36           HB       THR  36   0.150  10.804  -9.780
   38    HG1  THR  36           HG1      THR  36  -2.256  10.101  -8.661
   39   HG21  THR  36          HG21      THR  36  -1.516  12.445 -10.615
   40   HG22  THR  36          HG22      THR  36  -2.533  11.105 -11.197
   41   HG23  THR  36          HG23      THR  36  -0.920  11.396 -11.891
   42    H    THR  37           H        THR  37  -1.961   7.104 -11.775
   43    HA   THR  37           HA       THR  37  -4.508   7.095 -10.230
   44    HB   THR  37           HB       THR  37  -5.487   5.706 -11.928
   45    HG1  THR  37           HG1      THR  37  -3.121   6.160 -13.414
   46   HG21  THR  37          HG21      THR  37  -5.762   8.108 -12.153
   47   HG22  THR  37          HG22      THR  37  -5.645   7.341 -13.744
   48   HG23  THR  37          HG23      THR  37  -4.256   8.234 -13.084
   49    H    LEU  38           H        LEU  38  -5.320   5.358  -9.241
   50    HA   LEU  38           HA       LEU  38  -3.639   3.729  -7.776
   51    HB2  LEU  38           HB2      LEU  38  -6.223   4.389  -7.701
   52    HB3  LEU  38           HB3      LEU  38  -6.426   2.815  -8.459
   53    HG   LEU  38           HG       LEU  38  -5.360   3.526  -5.728
   54   HD11  LEU  38          HD11      LEU  38  -7.663   1.776  -6.676
   55   HD12  LEU  38          HD12      LEU  38  -7.788   3.409  -5.987
   56   HD13  LEU  38          HD13      LEU  38  -7.226   2.066  -4.982
   57   HD21  LEU  38          HD21      LEU  38  -5.283   0.766  -7.016
   58   HD22  LEU  38          HD22      LEU  38  -5.099   1.076  -5.276
   59   HD23  LEU  38          HD23      LEU  38  -3.899   1.703  -6.402
   60    H    GLY  39           H        GLY  39  -5.277   2.827 -10.851
   61    HA2  GLY  39           HA2      GLY  39  -4.727   0.057 -10.865
   62    HA3  GLY  39           HA3      GLY  39  -4.943   1.068 -12.299
   63    H    LYS  40           H        LYS  40  -2.627   2.735 -11.994
   64    HA   LYS  40           HA       LYS  40  -0.622   0.863 -13.062
   65    HB2  LYS  40           HB2      LYS  40  -0.491   3.886 -12.667
   66    HB3  LYS  40           HB3      LYS  40   0.702   2.887 -13.520
   67    HG2  LYS  40           HG2      LYS  40  -1.304   2.051 -14.959
   68    HG3  LYS  40           HG3      LYS  40  -2.201   3.394 -14.257
   69    HD2  LYS  40           HD2      LYS  40  -1.440   4.084 -16.394
   70    HD3  LYS  40           HD3      LYS  40  -0.506   4.966 -15.193
   71    HE2  LYS  40           HE2      LYS  40   0.984   4.282 -16.943
   72    HE3  LYS  40           HE3      LYS  40   1.374   3.291 -15.530
   73    HZ1  LYS  40           HZ1      LYS  40   1.245   1.968 -17.540
   74    HZ2  LYS  40           HZ2      LYS  40   0.064   1.493 -16.525
   75    HZ3  LYS  40           HZ3      LYS  40  -0.316   2.448 -17.826
   76    H    LEU  41           H        LEU  41  -0.966   2.825 -10.117
   77    HA   LEU  41           HA       LEU  41   1.452   1.908  -8.885
   78    HB2  LEU  41           HB2      LEU  41   0.161   3.760  -7.968
   79    HB3  LEU  41           HB3      LEU  41  -1.206   2.691  -7.636
   80    HG   LEU  41           HG       LEU  41   0.164   1.412  -6.021
   81   HD11  LEU  41          HD11      LEU  41   2.303   2.281  -5.228
   82   HD12  LEU  41          HD12      LEU  41   2.303   3.543  -6.472
   83   HD13  LEU  41          HD13      LEU  41   2.451   1.820  -6.916
   84   HD21  LEU  41          HD21      LEU  41  -1.185   3.337  -5.270
   85   HD22  LEU  41          HD22      LEU  41   0.249   4.380  -5.430
   86   HD23  LEU  41          HD23      LEU  41   0.251   3.043  -4.257
   87    H    ASP  42           H        ASP  42  -1.823   0.367  -8.887
   88    HA   ASP  42           HA       ASP  42  -1.241  -1.870  -7.264
   89    HB2  ASP  42           HB2      ASP  42  -3.502  -1.441  -7.835
   90    HB3  ASP  42           HB3      ASP  42  -3.163  -1.364  -9.552
   91    H    GLU  43           H        GLU  43  -0.652  -1.529 -10.760
   92    HA   GLU  43           HA       GLU  43   0.337  -4.212 -11.108
   93    HB2  GLU  43           HB2      GLU  43  -0.453  -2.686 -12.929
   94    HB3  GLU  43           HB3      GLU  43   1.021  -1.727 -12.735
   95    HG2  GLU  43           HG2      GLU  43   2.398  -3.654 -13.376
   96    HG3  GLU  43           HG3      GLU  43   0.981  -4.709 -13.382
   97    H    ARG  44           H        ARG  44   1.924  -1.170 -10.120
   98    HA   ARG  44           HA       ARG  44   4.585  -2.313 -10.000
   99    HB2  ARG  44           HB2      ARG  44   3.568   0.263  -9.980
  100    HB3  ARG  44           HB3      ARG  44   3.978   0.050  -8.274
  101    HG2  ARG  44           HG2      ARG  44   6.289  -0.625  -8.951
  102    HG3  ARG  44           HG3      ARG  44   5.827  -0.478 -10.649
  103    HD2  ARG  44           HD2      ARG  44   7.027   1.440 -10.172
  104    HD3  ARG  44           HD3      ARG  44   5.335   1.990 -10.189
  105    HE   ARG  44           HE       ARG  44   7.031   1.415  -7.776
  106   HH11  ARG  44          HH11      ARG  44   4.943   3.863  -9.300
  107   HH12  ARG  44          HH12      ARG  44   4.969   4.767  -7.791
  108   HH21  ARG  44          HH21      ARG  44   6.933   2.730  -6.018
  109   HH22  ARG  44          HH22      ARG  44   5.998   4.220  -6.141
  110    H    LEU  45           H        LEU  45   1.991  -1.847  -7.546
  111    HA   LEU  45           HA       LEU  45   3.501  -2.854  -5.307
  112    HB2  LEU  45           HB2      LEU  45   0.531  -2.622  -5.840
  113    HB3  LEU  45           HB3      LEU  45   1.208  -3.167  -4.308
  114    HG   LEU  45           HG       LEU  45   1.749  -0.434  -5.547
  115   HD11  LEU  45          HD11      LEU  45   0.315   0.378  -3.714
  116   HD12  LEU  45          HD12      LEU  45  -0.026  -1.300  -3.235
  117   HD13  LEU  45          HD13      LEU  45  -0.572  -0.695  -4.812
  118   HD21  LEU  45          HD21      LEU  45   3.627  -0.997  -4.149
  119   HD22  LEU  45          HD22      LEU  45   2.562  -1.633  -2.874
  120   HD23  LEU  45          HD23      LEU  45   2.598   0.100  -3.241
  121    H    ARG  46           H        ARG  46   1.369  -4.590  -7.603
  122    HA   ARG  46           HA       ARG  46   1.756  -7.177  -6.329
  123    HB2  ARG  46           HB2      ARG  46   1.000  -6.391  -9.172
  124    HB3  ARG  46           HB3      ARG  46   1.039  -8.065  -8.583
  125    HG2  ARG  46           HG2      ARG  46  -0.636  -7.548  -6.855
  126    HG3  ARG  46           HG3      ARG  46  -0.638  -5.846  -7.324
  127    HD2  ARG  46           HD2      ARG  46  -1.348  -6.634  -9.653
  128    HD3  ARG  46           HD3      ARG  46  -1.671  -8.203  -8.925
  129    HE   ARG  46           HE       ARG  46  -2.972  -5.586  -8.218
  130   HH11  ARG  46          HH11      ARG  46  -3.453  -9.114  -8.279
  131   HH12  ARG  46          HH12      ARG  46  -5.136  -8.857  -7.815
  132   HH21  ARG  46          HH21      ARG  46  -4.850  -5.474  -7.507
  133   HH22  ARG  46          HH22      ARG  46  -5.859  -6.909  -7.168
  134    H    ASN  47           H        ASN  47   3.744  -5.265  -8.538
  135    HA   ASN  47           HA       ASN  47   5.753  -7.415  -8.816
  136    HB2  ASN  47           HB2      ASN  47   5.611  -4.512  -9.640
  137    HB3  ASN  47           HB3      ASN  47   7.148  -5.354  -9.529
  138   HD21  ASN  47          HD21      ASN  47   4.190  -5.042 -11.377
  139   HD22  ASN  47          HD22      ASN  47   4.757  -6.082 -12.684
  140    H    TYR  48           H        TYR  48   5.426  -4.547  -6.583
  141    HA   TYR  48           HA       TYR  48   7.852  -5.055  -5.246
  142    HB2  TYR  48           HB2      TYR  48   5.264  -3.818  -4.260
  143    HB3  TYR  48           HB3      TYR  48   6.608  -4.036  -3.254
  144    HD1  TYR  48           HD1      TYR  48   8.584  -2.604  -3.269
  145    HD2  TYR  48           HD2      TYR  48   5.204  -1.879  -5.819
  146    HE1  TYR  48           HE1      TYR  48   9.230  -0.232  -3.471
  147    HE2  TYR  48           HE2      TYR  48   5.830   0.487  -5.997
  148    HH   TYR  48           HH       TYR  48   8.505   1.852  -4.081
  149    H    LEU  49           H        LEU  49   4.729  -6.674  -4.791
  150    HA   LEU  49           HA       LEU  49   5.617  -8.200  -2.512
  151    HB2  LEU  49           HB2      LEU  49   3.398  -8.361  -4.542
  152    HB3  LEU  49           HB3      LEU  49   3.794  -9.863  -3.720
  153    HG   LEU  49           HG       LEU  49   3.273  -7.311  -2.194
  154   HD11  LEU  49          HD11      LEU  49   1.356  -9.569  -2.983
  155   HD12  LEU  49          HD12      LEU  49   1.243  -7.862  -3.481
  156   HD13  LEU  49          HD13      LEU  49   0.993  -8.318  -1.787
  157   HD21  LEU  49          HD21      LEU  49   4.434  -9.026  -0.923
  158   HD22  LEU  49          HD22      LEU  49   3.231 -10.243  -1.379
  159   HD23  LEU  49          HD23      LEU  49   2.786  -8.871  -0.335
  160    H    LYS  50           H        LYS  50   5.691  -9.091  -6.004
  161    HA   LYS  50           HA       LYS  50   6.961 -11.644  -5.497
  162    HB2  LYS  50           HB2      LYS  50   6.943  -9.918  -8.008
  163    HB3  LYS  50           HB3      LYS  50   7.532 -11.589  -7.850
  164    HG2  LYS  50           HG2      LYS  50   5.381 -12.452  -7.364
  165    HG3  LYS  50           HG3      LYS  50   4.657 -10.852  -7.194
  166    HD2  LYS  50           HD2      LYS  50   5.822 -11.913  -9.808
  167    HD3  LYS  50           HD3      LYS  50   4.134 -12.102  -9.318
  168    HE2  LYS  50           HE2      LYS  50   4.055  -9.560  -9.039
  169    HE3  LYS  50           HE3      LYS  50   5.608  -9.492  -9.886
  170    HZ1  LYS  50           HZ1      LYS  50   3.151 -10.778 -10.977
  171    HZ2  LYS  50           HZ2      LYS  50   4.547 -10.499 -11.813
  172    HZ3  LYS  50           HZ3      LYS  50   3.579  -9.249 -11.327
  173    H    LYS  51           H        LYS  51   8.328  -8.498  -6.430
  174    HA   LYS  51           HA       LYS  51  11.116  -9.158  -6.350
  175    HB2  LYS  51           HB2      LYS  51   9.529  -6.619  -5.877
  176    HB3  LYS  51           HB3      LYS  51  11.286  -6.659  -5.868
  177    HG2  LYS  51           HG2      LYS  51   9.792  -7.729  -8.274
  178    HG3  LYS  51           HG3      LYS  51  10.035  -5.994  -8.063
  179    HD2  LYS  51           HD2      LYS  51  12.444  -6.274  -7.861
  180    HD3  LYS  51           HD3      LYS  51  12.312  -8.028  -7.992
  181    HE2  LYS  51           HE2      LYS  51  11.383  -6.079 -10.150
  182    HE3  LYS  51           HE3      LYS  51  13.007  -6.773 -10.083
  183    HZ1  LYS  51           HZ1      LYS  51  11.802  -8.134 -11.502
  184    HZ2  LYS  51           HZ2      LYS  51  11.893  -9.010 -10.111
  185    HZ3  LYS  51           HZ3      LYS  51  10.489  -8.302 -10.505
  186    H    GLY  52           H        GLY  52   8.851  -8.547  -3.719
  187    HA2  GLY  52           HA2      GLY  52  11.105  -8.019  -1.858
  188    HA3  GLY  52           HA3      GLY  52   9.509  -7.311  -1.813
  189    H    THR  53           H        THR  53   8.660 -10.526  -2.244
  190    HA   THR  53           HA       THR  53   9.131 -11.282   0.596
  191    HB   THR  53           HB       THR  53   6.922 -12.100   0.722
  192    HG1  THR  53           HG1      THR  53   6.663 -11.243  -2.005
  193   HG21  THR  53          HG21      THR  53   5.570 -10.172   0.700
  194   HG22  THR  53          HG22      THR  53   6.620  -9.372  -0.505
  195   HG23  THR  53          HG23      THR  53   7.207  -9.681   1.137
  196    H    LYS  54           H        LYS  54   9.036 -13.544   1.033
  197    HA   LYS  54           HA       LYS  54  10.498 -15.071  -0.845
  198    HB2  LYS  54           HB2      LYS  54   8.984 -15.962   1.635
  199    HB3  LYS  54           HB3      LYS  54  10.112 -16.971   0.735
  200    HG2  LYS  54           HG2      LYS  54  11.979 -15.544   1.236
  201    HG3  LYS  54           HG3      LYS  54  10.939 -14.292   1.941
  202    HD2  LYS  54           HD2      LYS  54  10.223 -15.853   3.713
  203    HD3  LYS  54           HD3      LYS  54  11.275 -17.116   3.029
  204    HE2  LYS  54           HE2      LYS  54  13.250 -15.664   3.397
  205    HE3  LYS  54           HE3      LYS  54  12.199 -14.395   4.062
  206    HZ1  LYS  54           HZ1      LYS  54  12.424 -17.132   5.170
  207    HZ2  LYS  54           HZ2      LYS  54  11.581 -15.920   5.838
  208    HZ3  LYS  54           HZ3      LYS  54  13.243 -15.858   5.779
  209    H    ASN  55           H        ASN  55   6.975 -15.029  -0.201
  210    HA   ASN  55           HA       ASN  55   6.738 -16.834  -2.542
  211    HB2  ASN  55           HB2      ASN  55   4.679 -16.725  -0.297
  212    HB3  ASN  55           HB3      ASN  55   4.892 -18.008  -1.470
  213   HD21  ASN  55          HD21      ASN  55   4.302 -18.494   0.981
  214   HD22  ASN  55          HD22      ASN  55   5.659 -18.964   1.997
  215    H    SER  56           H        SER  56   5.568 -13.856  -1.497
  216    HA   SER  56           HA       SER  56   3.763 -12.570  -2.050
  217    HB2  SER  56           HB2      SER  56   3.853 -11.973  -4.474
  218    HB3  SER  56           HB3      SER  56   5.409 -12.017  -3.649
  219    HG   SER  56           HG       SER  56   5.977 -13.828  -4.667
  220    H    ALA  57           H        ALA  57   2.626 -15.173  -1.554
  221    HA   ALA  57           HA       ALA  57   0.248 -15.182  -3.373
  222    HB1  ALA  57           HB1      ALA  57   0.536 -17.610  -3.663
  223    HB2  ALA  57           HB2      ALA  57   1.989 -17.568  -2.632
  224    HB3  ALA  57           HB3      ALA  57   1.988 -16.739  -4.201
  225    H    GLN  58           H        GLN  58   1.470 -15.784  -0.181
  226    HA   GLN  58           HA       GLN  58  -0.855 -17.044   0.965
  227    HB2  GLN  58           HB2      GLN  58   0.245 -16.538   3.067
  228    HB3  GLN  58           HB3      GLN  58   1.407 -17.233   1.956
  229    HG2  GLN  58           HG2      GLN  58   1.232 -14.213   2.319
  230    HG3  GLN  58           HG3      GLN  58   2.078 -15.236   3.448
  231   HE21  GLN  58          HE21      GLN  58   4.198 -15.281   3.092
  232   HE22  GLN  58          HE22      GLN  58   4.987 -15.074   1.547
  233    H    PHE  59           H        PHE  59  -0.153 -13.867  -0.056
  234    HA   PHE  59           HA       PHE  59  -1.758 -12.353   1.821
  235    HB2  PHE  59           HB2      PHE  59  -0.394 -11.585  -0.761
  236    HB3  PHE  59           HB3      PHE  59  -1.169 -10.470   0.360
  237    HD1  PHE  59           HD1      PHE  59  -0.291 -10.282   2.756
  238    HD2  PHE  59           HD2      PHE  59   1.895 -12.321  -0.341
  239    HE1  PHE  59           HE1      PHE  59   1.772 -10.119   4.114
  240    HE2  PHE  59           HE2      PHE  59   3.965 -12.147   1.017
  241    HZ   PHE  59           HZ       PHE  59   3.911 -11.041   3.238
  242    H    GLU  60           H        GLU  60  -3.670 -11.186   1.394
  243    HA   GLU  60           HA       GLU  60  -5.356 -12.267  -0.860
  244    HB2  GLU  60           HB2      GLU  60  -7.265 -12.157   0.545
  245    HB3  GLU  60           HB3      GLU  60  -6.055 -13.225   1.267
  246    HG2  GLU  60           HG2      GLU  60  -5.447 -11.546   2.875
  247    HG3  GLU  60           HG3      GLU  60  -6.415 -10.315   2.097
  248    H    LYS  61           H        LYS  61  -4.437  -9.448   1.003
  249    HA   LYS  61           HA       LYS  61  -5.486  -7.646  -1.032
  250    HB2  LYS  61           HB2      LYS  61  -6.986  -6.413   0.293
  251    HB3  LYS  61           HB3      LYS  61  -7.455  -8.091   0.453
  252    HG2  LYS  61           HG2      LYS  61  -6.494  -8.166   2.746
  253    HG3  LYS  61           HG3      LYS  61  -5.899  -6.515   2.559
  254    HD2  LYS  61           HD2      LYS  61  -8.042  -5.590   2.520
  255    HD3  LYS  61           HD3      LYS  61  -8.827  -7.099   2.108
  256    HE2  LYS  61           HE2      LYS  61  -7.374  -6.751   4.749
  257    HE3  LYS  61           HE3      LYS  61  -9.011  -6.130   4.530
  258    HZ1  LYS  61           HZ1      LYS  61  -8.288  -9.016   4.297
  259    HZ2  LYS  61           HZ2      LYS  61  -9.782  -8.387   4.089
  260    HZ3  LYS  61           HZ3      LYS  61  -9.072  -8.274   5.539
  261    H    MET  62           H        MET  62  -5.163  -5.428  -0.433
  262    HA   MET  62           HA       MET  62  -2.842  -4.819   1.258
  263    HB2  MET  62           HB2      MET  62  -1.537  -3.801  -0.502
  264    HB3  MET  62           HB3      MET  62  -1.858  -5.487  -0.914
  265    HG2  MET  62           HG2      MET  62  -3.632  -4.794  -2.476
  266    HG3  MET  62           HG3      MET  62  -3.347  -3.098  -2.060
  267    HE1  MET  62           HE1      MET  62  -3.411  -4.192  -5.026
  268    HE2  MET  62           HE2      MET  62  -2.019  -3.359  -5.737
  269    HE3  MET  62           HE3      MET  62  -3.098  -2.484  -4.625
  270    H    VAL  63           H        VAL  63  -2.536  -2.555   1.595
  271    HA   VAL  63           HA       VAL  63  -4.709  -0.749   0.729
  272    HB   VAL  63           HB       VAL  63  -5.414  -1.862   2.868
  273   HG11  VAL  63          HG11      VAL  63  -4.300  -1.750   4.798
  274   HG12  VAL  63          HG12      VAL  63  -3.305  -0.325   4.324
  275   HG13  VAL  63          HG13      VAL  63  -2.968  -1.919   3.661
  276   HG21  VAL  63          HG21      VAL  63  -6.010   0.142   4.136
  277   HG22  VAL  63          HG22      VAL  63  -6.310   0.377   2.411
  278   HG23  VAL  63          HG23      VAL  63  -4.887   1.123   3.176
  279    H    ILE  64           H        ILE  64  -4.134   1.368   0.654
  280    HA   ILE  64           HA       ILE  64  -1.188   1.945   0.794
  281    HB   ILE  64           HB       ILE  64  -3.261   2.800  -1.260
  282   HG12  ILE  64          HG12      ILE  64  -1.084   0.767  -1.835
  283   HG13  ILE  64          HG13      ILE  64  -2.664   0.247  -1.275
  284   HG21  ILE  64          HG21      ILE  64  -0.214   2.994  -1.337
  285   HG22  ILE  64          HG22      ILE  64  -1.321   4.349  -1.022
  286   HG23  ILE  64          HG23      ILE  64  -1.335   3.556  -2.591
  287   HD11  ILE  64          HD11      ILE  64  -2.161   1.778  -3.830
  288   HD12  ILE  64          HD12      ILE  64  -3.766   1.396  -3.161
  289   HD13  ILE  64          HD13      ILE  64  -2.672   0.090  -3.642
  290    H    LEU  65           H        LEU  65  -0.667   3.774   1.929
  291    HA   LEU  65           HA       LEU  65  -2.809   5.808   2.392
  292    HB2  LEU  65           HB2      LEU  65  -0.589   5.296   4.384
  293    HB3  LEU  65           HB3      LEU  65  -1.994   6.327   4.546
  294    HG   LEU  65           HG       LEU  65  -2.048   3.286   4.483
  295   HD11  LEU  65          HD11      LEU  65  -1.111   4.421   6.561
  296   HD12  LEU  65          HD12      LEU  65  -2.578   3.468   6.849
  297   HD13  LEU  65          HD13      LEU  65  -2.666   5.236   6.740
  298   HD21  LEU  65          HD21      LEU  65  -4.370   3.473   5.194
  299   HD22  LEU  65          HD22      LEU  65  -4.146   4.117   3.575
  300   HD23  LEU  65          HD23      LEU  65  -4.326   5.242   4.938
  301    H    THR  66           H        THR  66  -2.347   7.783   1.778
  302    HA   THR  66           HA       THR  66   0.402   8.284   0.676
  303    HB   THR  66           HB       THR  66  -0.644   9.578  -1.052
  304    HG1  THR  66           HG1      THR  66  -2.421  10.411  -0.075
  305   HG21  THR  66          HG21      THR  66  -0.457   7.140  -1.455
  306   HG22  THR  66          HG22      THR  66  -1.817   7.883  -2.320
  307   HG23  THR  66          HG23      THR  66  -2.124   6.929  -0.859
  308    H    GLU  67           H        GLU  67   0.910  10.661   0.308
  309    HA   GLU  67           HA       GLU  67   0.369  12.390   2.516
  310    HB2  GLU  67           HB2      GLU  67   0.763  13.337  -0.335
  311    HB3  GLU  67           HB3      GLU  67   1.118  14.198   1.161
  312    HG2  GLU  67           HG2      GLU  67   2.870  12.350   1.607
  313    HG3  GLU  67           HG3      GLU  67   2.605  11.838  -0.050
  314    H    ASN  68           H        ASN  68  -1.081  14.290   2.500
  315    HA   ASN  68           HA       ASN  68  -3.078  15.353   2.332
  316    HB2  ASN  68           HB2      ASN  68  -3.346  14.256  -0.446
  317    HB3  ASN  68           HB3      ASN  68  -3.816  15.835   0.129
  318   HD21  ASN  68          HD21      ASN  68  -1.836  14.631  -1.981
  319   HD22  ASN  68          HD22      ASN  68  -0.280  15.369  -1.588
  320    H    LYS  69           H        LYS  69  -3.169  12.826   3.549
  321    HA   LYS  69           HA       LYS  69  -4.625  11.445   4.569
  322    HB2  LYS  69           HB2      LYS  69  -6.684  13.555   3.837
  323    HB3  LYS  69           HB3      LYS  69  -6.764  12.395   5.172
  324    HG2  LYS  69           HG2      LYS  69  -4.702  13.420   6.159
  325    HG3  LYS  69           HG3      LYS  69  -4.707  14.631   4.862
  326    HD2  LYS  69           HD2      LYS  69  -6.985  15.344   5.557
  327    HD3  LYS  69           HD3      LYS  69  -6.892  14.210   6.933
  328    HE2  LYS  69           HE2      LYS  69  -4.910  15.332   7.778
  329    HE3  LYS  69           HE3      LYS  69  -4.864  16.395   6.352
  330    HZ1  LYS  69           HZ1      LYS  69  -5.899  17.440   8.344
  331    HZ2  LYS  69           HZ2      LYS  69  -7.134  16.354   8.273
  332    HZ3  LYS  69           HZ3      LYS  69  -6.908  17.414   7.048
  333    H    GLY  70           H        GLY  70  -4.123  10.664   1.982
  334    HA2  GLY  70           HA2      GLY  70  -6.605   9.405   0.970
  335    HA3  GLY  70           HA3      GLY  70  -4.990   9.198   0.313
  336    H    TYR  71           H        TYR  71  -7.237   7.406   1.221
  337    HA   TYR  71           HA       TYR  71  -5.549   5.223   2.264
  338    HB2  TYR  71           HB2      TYR  71  -6.818   6.003   4.213
  339    HB3  TYR  71           HB3      TYR  71  -8.306   6.023   3.291
  340    HD1  TYR  71           HD1      TYR  71  -9.122   3.659   2.313
  341    HD2  TYR  71           HD2      TYR  71  -6.448   4.164   5.682
  342    HE1  TYR  71           HE1      TYR  71  -9.755   1.419   3.161
  343    HE2  TYR  71           HE2      TYR  71  -7.122   1.947   6.527
  344    HH   TYR  71           HH       TYR  71  -9.427  -0.193   4.823
  345    H    TYR  72           H        TYR  72  -5.717   3.575   0.819
  346    HA   TYR  72           HA       TYR  72  -8.232   3.209  -0.741
  347    HB2  TYR  72           HB2      TYR  72  -5.432   3.212  -1.919
  348    HB3  TYR  72           HB3      TYR  72  -6.912   2.821  -2.772
  349    HD1  TYR  72           HD1      TYR  72  -8.551   4.585  -3.370
  350    HD2  TYR  72           HD2      TYR  72  -4.826   5.528  -1.409
  351    HE1  TYR  72           HE1      TYR  72  -8.841   6.981  -3.982
  352    HE2  TYR  72           HE2      TYR  72  -5.126   7.932  -2.003
  353    HH   TYR  72           HH       TYR  72  -7.975   9.078  -3.857
  354    H    THR  73           H        THR  73  -8.826   1.044  -0.940
  355    HA   THR  73           HA       THR  73  -6.845  -1.037  -0.045
  356    HB   THR  73           HB       THR  73  -8.527  -0.589   1.692
  357    HG1  THR  73           HG1      THR  73  -9.272  -2.862   1.720
  358   HG21  THR  73          HG21      THR  73 -10.826  -1.253   1.469
  359   HG22  THR  73          HG22      THR  73 -10.582  -1.800  -0.200
  360   HG23  THR  73          HG23      THR  73 -10.495  -0.072   0.202
  361    H    VAL  74           H        VAL  74  -6.721  -2.931  -1.134
  362    HA   VAL  74           HA       VAL  74  -8.430  -3.400  -3.532
  363    HB   VAL  74           HB       VAL  74  -5.391  -3.089  -3.583
  364   HG11  VAL  74          HG11      VAL  74  -7.341  -4.098  -5.681
  365   HG12  VAL  74          HG12      VAL  74  -5.903  -4.921  -5.039
  366   HG13  VAL  74          HG13      VAL  74  -5.706  -3.514  -6.078
  367   HG21  VAL  74          HG21      VAL  74  -6.498  -0.908  -3.722
  368   HG22  VAL  74          HG22      VAL  74  -7.572  -1.506  -5.004
  369   HG23  VAL  74          HG23      VAL  74  -5.820  -1.344  -5.287
  370    H    TYR  75           H        TYR  75  -8.844  -5.569  -3.800
  371    HA   TYR  75           HA       TYR  75  -7.427  -7.503  -2.096
  372    HB2  TYR  75           HB2      TYR  75  -9.783  -7.721  -3.971
  373    HB3  TYR  75           HB3      TYR  75  -8.989  -9.130  -3.276
  374    HD1  TYR  75           HD1      TYR  75  -9.077  -9.635  -0.899
  375    HD2  TYR  75           HD2      TYR  75 -10.936  -6.065  -2.452
  376    HE1  TYR  75           HE1      TYR  75 -10.234  -9.305   1.250
  377    HE2  TYR  75           HE2      TYR  75 -12.059  -5.701  -0.274
  378    HH   TYR  75           HH       TYR  75 -12.287  -6.424   1.886
  379    H    LEU  76           H        LEU  76  -6.039  -8.998  -2.670
  380    HA   LEU  76           HA       LEU  76  -4.683  -8.854  -5.312
  381    HB2  LEU  76           HB2      LEU  76  -4.005 -10.256  -2.696
  382    HB3  LEU  76           HB3      LEU  76  -2.997 -10.292  -4.136
  383    HG   LEU  76           HG       LEU  76  -3.747  -7.679  -2.738
  384   HD11  LEU  76          HD11      LEU  76  -1.529  -7.757  -1.733
  385   HD12  LEU  76          HD12      LEU  76  -1.275  -9.399  -2.378
  386   HD13  LEU  76          HD13      LEU  76  -2.541  -9.089  -1.163
  387   HD21  LEU  76          HD21      LEU  76  -2.983  -7.394  -5.059
  388   HD22  LEU  76          HD22      LEU  76  -1.561  -8.413  -4.732
  389   HD23  LEU  76          HD23      LEU  76  -1.741  -6.837  -3.936
  390    H    ASN  77           H        ASN  77  -7.001 -10.774  -3.631
  391    HA   ASN  77           HA       ASN  77  -6.784 -13.315  -4.808
  392    HB2  ASN  77           HB2      ASN  77  -9.312 -11.679  -4.272
  393    HB3  ASN  77           HB3      ASN  77  -9.250 -13.423  -4.472
  394   HD21  ASN  77          HD21      ASN  77 -10.228 -11.756  -2.184
  395   HD22  ASN  77          HD22      ASN  77  -9.336 -12.405  -0.819
  396    H    THR  78           H        THR  78  -7.722 -10.293  -6.339
  397    HA   THR  78           HA       THR  78  -8.234 -11.503  -8.966
  398    HB   THR  78           HB       THR  78 -10.367 -10.371  -9.218
  399    HG1  THR  78           HG1      THR  78 -11.332  -9.324  -7.537
  400   HG21  THR  78          HG21      THR  78 -10.573 -11.782  -6.533
  401   HG22  THR  78          HG22      THR  78 -10.372 -12.652  -8.077
  402   HG23  THR  78          HG23      THR  78 -11.799 -11.654  -7.801
  403    HA   PRO  79           HA       PRO  79  -6.678  -7.357 -10.106
  404    HB2  PRO  79           HB2      PRO  79  -8.665  -7.187 -12.322
  405    HB3  PRO  79           HB3      PRO  79  -6.881  -7.162 -12.411
  406    HG2  PRO  79           HG2      PRO  79  -8.288  -9.341 -13.251
  407    HG3  PRO  79           HG3      PRO  79  -6.732  -9.507 -12.358
  408    HD2  PRO  79           HD2      PRO  79  -9.527  -9.683 -11.218
  409    HD3  PRO  79           HD3      PRO  79  -8.145 -10.811 -11.039
  410    H    LEU  80           H        LEU  80  -7.357  -5.102  -9.878
  411    HA   LEU  80           HA       LEU  80  -9.954  -4.776  -8.554
  412    HB2  LEU  80           HB2      LEU  80  -9.364  -2.675  -7.897
  413    HB3  LEU  80           HB3      LEU  80  -7.899  -3.628  -7.764
  414    HG   LEU  80           HG       LEU  80  -8.503  -1.634  -9.986
  415   HD11  LEU  80          HD11      LEU  80  -6.616  -1.415  -7.616
  416   HD12  LEU  80          HD12      LEU  80  -8.183  -0.588  -7.755
  417   HD13  LEU  80          HD13      LEU  80  -6.875  -0.197  -8.883
  418   HD21  LEU  80          HD21      LEU  80  -6.929  -3.258 -10.833
  419   HD22  LEU  80          HD22      LEU  80  -6.044  -3.290  -9.287
  420   HD23  LEU  80          HD23      LEU  80  -5.964  -1.867 -10.328
  421    H    ALA  81           H        ALA  81 -11.564  -3.238  -9.136
  422    HA   ALA  81           HA       ALA  81 -12.536  -3.592 -11.782
  423    HB1  ALA  81           HB1      ALA  81 -13.354  -1.583  -9.630
  424    HB2  ALA  81           HB2      ALA  81 -13.888  -3.279  -9.711
  425    HB3  ALA  81           HB3      ALA  81 -14.348  -2.149 -10.984
  426    H    GLU  82           H        GLU  82 -12.701  -2.182 -13.588
  427    HA   GLU  82           HA       GLU  82 -10.507  -0.470 -14.106
  428    HB2  GLU  82           HB2      GLU  82 -13.205  -0.655 -15.474
  429    HB3  GLU  82           HB3      GLU  82 -11.887   0.379 -16.041
  430    HG2  GLU  82           HG2      GLU  82 -10.412  -1.696 -16.113
  431    HG3  GLU  82           HG3      GLU  82 -11.878  -2.648 -15.863
  432    H    ASP  83           H        ASP  83 -13.669   0.447 -12.769
  433    HA   ASP  83           HA       ASP  83 -13.232   3.319 -13.080
  434    HB2  ASP  83           HB2      ASP  83 -15.155   1.676 -11.413
  435    HB3  ASP  83           HB3      ASP  83 -15.189   3.448 -11.496
  436    H    ARG  84           H        ARG  84 -12.002   0.999 -10.909
  437    HA   ARG  84           HA       ARG  84 -11.017   3.049  -8.955
  438    HB2  ARG  84           HB2      ARG  84 -10.919  -0.007  -8.952
  439    HB3  ARG  84           HB3      ARG  84 -10.169   1.034  -7.749
  440    HG2  ARG  84           HG2      ARG  84 -12.329   1.947  -7.085
  441    HG3  ARG  84           HG3      ARG  84 -13.161   1.023  -8.350
  442    HD2  ARG  84           HD2      ARG  84 -12.503  -1.081  -7.330
  443    HD3  ARG  84           HD3      ARG  84 -11.564  -0.238  -6.083
  444    HE   ARG  84           HE       ARG  84 -13.960   0.888  -5.667
  445   HH11  ARG  84          HH11      ARG  84 -13.436  -2.541  -6.316
  446   HH12  ARG  84          HH12      ARG  84 -14.827  -3.003  -5.369
  447   HH21  ARG  84          HH21      ARG  84 -15.399   0.195  -4.182
  448   HH22  ARG  84          HH22      ARG  84 -15.919  -1.473  -4.155
  449    H    LYS  85           H        LYS  85  -9.896   0.822 -11.537
  450    HA   LYS  85           HA       LYS  85  -7.082   1.237 -11.209
  451    HB2  LYS  85           HB2      LYS  85  -8.747   0.805 -13.725
  452    HB3  LYS  85           HB3      LYS  85  -6.987   0.900 -13.737
  453    HG2  LYS  85           HG2      LYS  85  -6.829  -1.024 -12.219
  454    HG3  LYS  85           HG3      LYS  85  -8.598  -1.134 -12.166
  455    HD2  LYS  85           HD2      LYS  85  -7.915  -2.777 -13.672
  456    HD3  LYS  85           HD3      LYS  85  -8.565  -1.473 -14.669
  457    HE2  LYS  85           HE2      LYS  85  -6.142  -0.679 -14.994
  458    HE3  LYS  85           HE3      LYS  85  -5.643  -2.184 -14.186
  459    HZ1  LYS  85           HZ1      LYS  85  -5.678  -2.638 -16.518
  460    HZ2  LYS  85           HZ2      LYS  85  -7.154  -1.914 -16.733
  461    HZ3  LYS  85           HZ3      LYS  85  -7.039  -3.328 -15.923
  462    H    ASN  86           H        ASN  86  -9.503   3.137 -12.901
  463    HA   ASN  86           HA       ASN  86  -7.595   5.131 -13.842
  464    HB2  ASN  86           HB2      ASN  86 -10.626   4.789 -13.961
  465    HB3  ASN  86           HB3      ASN  86  -9.796   6.181 -14.618
  466   HD21  ASN  86          HD21      ASN  86 -10.464   2.799 -15.132
  467   HD22  ASN  86          HD22      ASN  86  -9.726   2.745 -16.731
  468    H    VAL  87           H        VAL  87  -8.768   4.841 -10.654
  469    HA   VAL  87           HA       VAL  87  -9.615   7.641 -10.388
  470    HB   VAL  87           HB       VAL  87 -10.512   5.542  -9.133
  471   HG11  VAL  87          HG11      VAL  87  -9.610   5.067  -6.975
  472   HG12  VAL  87          HG12      VAL  87  -8.339   6.306  -7.146
  473   HG13  VAL  87          HG13      VAL  87  -8.321   4.861  -8.169
  474   HG21  VAL  87          HG21      VAL  87 -11.240   6.949  -7.272
  475   HG22  VAL  87          HG22      VAL  87 -11.282   7.863  -8.787
  476   HG23  VAL  87          HG23      VAL  87  -9.958   8.126  -7.627
  477    H    GLU  88           H        GLU  88  -8.443   9.324  -9.422
  478    HA   GLU  88           HA       GLU  88  -5.530   8.939  -9.423
  479    HB2  GLU  88           HB2      GLU  88  -7.291  11.366  -9.044
  480    HB3  GLU  88           HB3      GLU  88  -5.540  11.409  -8.815
  481    HG2  GLU  88           HG2      GLU  88  -5.114  10.699 -11.088
  482    HG3  GLU  88           HG3      GLU  88  -6.836  10.424 -11.388
  483    H    LEU  89           H        LEU  89  -4.195   8.893  -7.830
  484    HA   LEU  89           HA       LEU  89  -4.961   8.352  -5.102
  485    HB2  LEU  89           HB2      LEU  89  -2.310   8.923  -6.511
  486    HB3  LEU  89           HB3      LEU  89  -2.418   8.368  -4.853
  487    HG   LEU  89           HG       LEU  89  -3.600   6.777  -7.179
  488   HD11  LEU  89          HD11      LEU  89  -1.179   7.066  -7.534
  489   HD12  LEU  89          HD12      LEU  89  -1.629   5.395  -7.175
  490   HD13  LEU  89          HD13      LEU  89  -0.879   6.400  -5.916
  491   HD21  LEU  89          HD21      LEU  89  -3.378   4.887  -5.576
  492   HD22  LEU  89          HD22      LEU  89  -4.451   6.142  -4.940
  493   HD23  LEU  89          HD23      LEU  89  -2.779   6.006  -4.339
  494    H    LEU  90           H        LEU  90  -5.261   9.759  -3.467
  495    HA   LEU  90           HA       LEU  90  -5.334  12.506  -3.721
  496    HB2  LEU  90           HB2      LEU  90  -5.447  10.570  -1.490
  497    HB3  LEU  90           HB3      LEU  90  -4.995  12.196  -0.999
  498    HG   LEU  90           HG       LEU  90  -7.426  11.647  -2.757
  499   HD11  LEU  90          HD11      LEU  90  -7.248  11.908   0.269
  500   HD12  LEU  90          HD12      LEU  90  -7.770  10.480  -0.664
  501   HD13  LEU  90          HD13      LEU  90  -8.755  11.944  -0.676
  502   HD21  LEU  90          HD21      LEU  90  -6.569  14.042  -1.071
  503   HD22  LEU  90          HD22      LEU  90  -8.130  13.880  -1.903
  504   HD23  LEU  90          HD23      LEU  90  -6.644  13.980  -2.842
  505    H    GLY  91           H        GLY  91  -2.467  10.674  -2.828
  506    HA2  GLY  91           HA2      GLY  91  -0.770  12.975  -3.419
  507    HA3  GLY  91           HA3      GLY  91  -0.751  12.486  -1.728
  508    H    LYS  92           H        LYS  92   1.569  12.297  -2.525
  509    HA   LYS  92           HA       LYS  92   2.441  10.054  -4.058
  510    HB2  LYS  92           HB2      LYS  92   3.615  12.289  -3.239
  511    HB3  LYS  92           HB3      LYS  92   4.128  11.289  -1.891
  512    HG2  LYS  92           HG2      LYS  92   5.880  11.186  -3.376
  513    HG3  LYS  92           HG3      LYS  92   5.001   9.697  -3.771
  514    HD2  LYS  92           HD2      LYS  92   4.026  10.736  -5.735
  515    HD3  LYS  92           HD3      LYS  92   4.759  12.298  -5.334
  516    HE2  LYS  92           HE2      LYS  92   6.431   9.782  -5.728
  517    HE3  LYS  92           HE3      LYS  92   5.933  10.771  -7.102
  518    HZ1  LYS  92           HZ1      LYS  92   7.119  12.638  -6.215
  519    HZ2  LYS  92           HZ2      LYS  92   8.157  11.338  -6.189
  520    HZ3  LYS  92           HZ3      LYS  92   7.463  11.895  -4.812
  521    H    MET  93           H        MET  93   3.541   8.123  -3.404
  522    HA   MET  93           HA       MET  93   2.049   6.582  -1.502
  523    HB2  MET  93           HB2      MET  93   2.924   5.734  -3.728
  524    HB3  MET  93           HB3      MET  93   4.540   5.710  -3.019
  525    HG2  MET  93           HG2      MET  93   3.489   4.206  -1.158
  526    HG3  MET  93           HG3      MET  93   2.073   4.138  -2.190
  527    HE1  MET  93           HE1      MET  93   6.068   1.887  -2.804
  528    HE2  MET  93           HE2      MET  93   5.570   2.771  -1.347
  529    HE3  MET  93           HE3      MET  93   6.110   3.663  -2.793
  530    H    TYR  94           H        TYR  94   2.744   8.073   0.353
  531    HA   TYR  94           HA       TYR  94   5.140   7.843   1.771
  532    HB2  TYR  94           HB2      TYR  94   3.485   9.322   2.531
  533    HB3  TYR  94           HB3      TYR  94   2.247   8.112   2.540
  534    HD1  TYR  94           HD1      TYR  94   2.260   6.300   4.365
  535    HD2  TYR  94           HD2      TYR  94   4.644   9.879   4.552
  536    HE1  TYR  94           HE1      TYR  94   2.617   5.935   6.793
  537    HE2  TYR  94           HE2      TYR  94   4.907   9.584   7.000
  538    HH   TYR  94           HH       TYR  94   4.224   8.383   8.838
  539    H    LYS  95           H        LYS  95   2.428   5.405   1.895
  540    HA   LYS  95           HA       LYS  95   4.345   3.254   2.467
  541    HB2  LYS  95           HB2      LYS  95   4.015   4.559   4.610
  542    HB3  LYS  95           HB3      LYS  95   2.325   4.050   4.600
  543    HG2  LYS  95           HG2      LYS  95   2.940   1.785   5.063
  544    HG3  LYS  95           HG3      LYS  95   4.656   2.089   4.688
  545    HD2  LYS  95           HD2      LYS  95   4.926   3.547   6.576
  546    HD3  LYS  95           HD3      LYS  95   3.185   3.655   6.842
  547    HE2  LYS  95           HE2      LYS  95   3.249   1.142   7.297
  548    HE3  LYS  95           HE3      LYS  95   5.012   1.324   7.361
  549    HZ1  LYS  95           HZ1      LYS  95   3.707   1.519   9.533
  550    HZ2  LYS  95           HZ2      LYS  95   3.214   2.993   9.037
  551    HZ3  LYS  95           HZ3      LYS  95   4.830   2.696   9.233
  552    H    THR  96           H        THR  96   3.412   1.136   2.549
  553    HA   THR  96           HA       THR  96   0.526   0.805   1.908
  554    HB   THR  96           HB       THR  96   2.753  -0.517   0.301
  555    HG1  THR  96           HG1      THR  96   2.293   1.654  -0.167
  556   HG21  THR  96          HG21      THR  96   0.975  -1.348  -1.160
  557   HG22  THR  96          HG22      THR  96  -0.267  -0.636  -0.124
  558   HG23  THR  96          HG23      THR  96   0.719  -1.992   0.455
  559    H    TYR  97           H        TYR  97  -0.273  -1.173   2.485
  560    HA   TYR  97           HA       TYR  97   1.403  -2.907   4.262
  561    HB2  TYR  97           HB2      TYR  97  -1.422  -2.113   5.024
  562    HB3  TYR  97           HB3      TYR  97  -0.238  -2.916   5.964
  563    HD1  TYR  97           HD1      TYR  97  -0.883   0.394   4.266
  564    HD2  TYR  97           HD2      TYR  97   0.950  -1.710   7.548
  565    HE1  TYR  97           HE1      TYR  97  -0.213   2.551   5.287
  566    HE2  TYR  97           HE2      TYR  97   1.458   0.453   8.632
  567    HH   TYR  97           HH       TYR  97   0.459   3.568   7.261
  568    H    PHE  98           H        PHE  98   0.769  -5.018   4.516
  569    HA   PHE  98           HA       PHE  98  -1.214  -6.123   2.557
  570    HB2  PHE  98           HB2      PHE  98   1.692  -6.874   2.984
  571    HB3  PHE  98           HB3      PHE  98   0.577  -7.764   1.972
  572    HD1  PHE  98           HD1      PHE  98   2.531  -4.595   2.247
  573    HD2  PHE  98           HD2      PHE  98  -0.058  -7.002  -0.200
  574    HE1  PHE  98           HE1      PHE  98   3.105  -3.204   0.259
  575    HE2  PHE  98           HE2      PHE  98   0.573  -5.657  -2.198
  576    HZ   PHE  98           HZ       PHE  98   2.166  -3.772  -1.966
  577    H    PHE  99           H        PHE  99  -2.083  -8.091   2.974
  578    HA   PHE  99           HA       PHE  99  -1.896  -9.140   5.780
  579    HB2  PHE  99           HB2      PHE  99  -4.400  -8.559   4.142
  580    HB3  PHE  99           HB3      PHE  99  -4.339  -9.035   5.821
  581    HD1  PHE  99           HD1      PHE  99  -3.657  -6.288   3.428
  582    HD2  PHE  99           HD2      PHE  99  -4.064  -7.337   7.587
  583    HE1  PHE  99           HE1      PHE  99  -3.494  -3.932   4.028
  584    HE2  PHE  99           HE2      PHE  99  -3.963  -4.929   8.182
  585    HZ   PHE  99           HZ       PHE  99  -3.582  -3.224   6.430
  586    H    LYS 100           H        LYS 100  -1.890 -11.339   5.934
  587    HA   LYS 100           HA       LYS 100  -2.120 -13.065   3.564
  588    HB2  LYS 100           HB2      LYS 100  -1.865 -13.884   6.467
  589    HB3  LYS 100           HB3      LYS 100  -1.849 -14.937   5.045
  590    HG2  LYS 100           HG2      LYS 100   0.341 -14.841   5.518
  591    HG3  LYS 100           HG3      LYS 100   0.176 -13.664   4.217
  592    HD2  LYS 100           HD2      LYS 100   0.456 -11.824   5.712
  593    HD3  LYS 100           HD3      LYS 100   0.228 -12.839   7.140
  594    HE2  LYS 100           HE2      LYS 100   2.533 -13.347   5.224
  595    HE3  LYS 100           HE3      LYS 100   2.642 -12.120   6.492
  596    HZ1  LYS 100           HZ1      LYS 100   2.115 -13.851   8.128
  597    HZ2  LYS 100           HZ2      LYS 100   3.517 -14.147   7.324
  598    HZ3  LYS 100           HZ3      LYS 100   2.185 -15.010   6.952
  599    H    LYS 101           H        LYS 101  -3.607 -14.870   3.448
  600    HA   LYS 101           HA       LYS 101  -6.293 -14.267   3.326
  601    HB2  LYS 101           HB2      LYS 101  -5.130 -16.269   2.376
  602    HB3  LYS 101           HB3      LYS 101  -5.106 -16.973   3.985
  603    HG2  LYS 101           HG2      LYS 101  -6.878 -17.971   2.704
  604    HG3  LYS 101           HG3      LYS 101  -7.556 -17.064   4.045
  605    HD2  LYS 101           HD2      LYS 101  -8.860 -16.841   1.963
  606    HD3  LYS 101           HD3      LYS 101  -8.282 -15.287   2.566
  607    HE2  LYS 101           HE2      LYS 101  -6.431 -15.326   0.912
  608    HE3  LYS 101           HE3      LYS 101  -7.001 -16.883   0.305
  609    HZ1  LYS 101           HZ1      LYS 101  -9.031 -15.842  -0.411
  610    HZ2  LYS 101           HZ2      LYS 101  -8.657 -14.410   0.277
  611    HZ3  LYS 101           HZ3      LYS 101  -7.776 -14.950  -1.010
  612    H    GLY 102           H        GLY 102  -7.591 -13.440   4.838
  613    HA2  GLY 102           HA2      GLY 102  -9.085 -13.691   6.635
  614    HA3  GLY 102           HA3      GLY 102  -8.049 -14.907   7.369
  615    H    GLU 103           H        GLU 103  -5.904 -12.401   6.743
  616    HA   GLU 103           HA       GLU 103  -5.958 -11.530   9.541
  617    HB2  GLU 103           HB2      GLU 103  -4.235 -10.715   7.171
  618    HB3  GLU 103           HB3      GLU 103  -4.038 -10.081   8.807
  619    HG2  GLU 103           HG2      GLU 103  -3.698 -12.437   9.608
  620    HG3  GLU 103           HG3      GLU 103  -3.669 -12.964   7.920
  621    H    SER 104           H        SER 104  -6.153  -9.491  10.321
  622    HA   SER 104           HA       SER 104  -7.271  -7.242   8.687
  623    HB2  SER 104           HB2      SER 104  -8.260  -7.861  11.435
  624    HB3  SER 104           HB3      SER 104  -8.888  -6.720  10.247
  625    HG   SER 104           HG       SER 104  -9.071  -9.521  10.333
  626    H    LYS 105           H        LYS 105  -4.636  -8.163  10.327
  627    HA   LYS 105           HA       LYS 105  -3.824  -5.324  10.571
  628    HB2  LYS 105           HB2      LYS 105  -4.263  -5.986  12.887
  629    HB3  LYS 105           HB3      LYS 105  -3.294  -7.459  12.667
  630    HG2  LYS 105           HG2      LYS 105  -1.278  -6.157  12.368
  631    HG3  LYS 105           HG3      LYS 105  -2.142  -4.638  12.522
  632    HD2  LYS 105           HD2      LYS 105  -2.346  -6.731  14.714
  633    HD3  LYS 105           HD3      LYS 105  -0.901  -5.730  14.578
  634    HE2  LYS 105           HE2      LYS 105  -2.207  -3.684  14.762
  635    HE3  LYS 105           HE3      LYS 105  -3.723  -4.612  14.828
  636    HZ1  LYS 105           HZ1      LYS 105  -3.020  -5.580  16.894
  637    HZ2  LYS 105           HZ2      LYS 105  -2.873  -3.965  17.076
  638    HZ3  LYS 105           HZ3      LYS 105  -1.528  -4.870  16.809
  639    H    SER 106           H        SER 106  -1.945  -5.017   9.505
  640    HA   SER 106           HA       SER 106  -1.188  -7.035   7.679
  641    HB2  SER 106           HB2      SER 106   0.454  -5.539   6.797
  642    HB3  SER 106           HB3      SER 106  -0.950  -4.596   7.300
  643    HG   SER 106           HG       SER 106   1.605  -4.842   8.608
  644    H    SER 107           H        SER 107   0.830  -7.891   7.150
  645    HA   SER 107           HA       SER 107   2.754  -8.448   9.391
  646    HB2  SER 107           HB2      SER 107   1.227 -10.405   8.748
  647    HB3  SER 107           HB3      SER 107   1.900 -10.301   7.123
  648    HG   SER 107           HG       SER 107   3.075 -11.115   9.540
  649    H    TYR 108           H        TYR 108   2.347  -7.200   6.266
  650    HA   TYR 108           HA       TYR 108   5.251  -6.966   5.850
  651    HB2  TYR 108           HB2      TYR 108   4.716  -8.929   4.552
  652    HB3  TYR 108           HB3      TYR 108   3.302  -8.166   3.867
  653    HD1  TYR 108           HD1      TYR 108   7.031  -7.734   4.028
  654    HD2  TYR 108           HD2      TYR 108   3.467  -7.351   1.672
  655    HE1  TYR 108           HE1      TYR 108   8.418  -7.122   2.017
  656    HE2  TYR 108           HE2      TYR 108   4.821  -6.750  -0.302
  657    HH   TYR 108           HH       TYR 108   6.980  -6.583  -1.191
  658    H    VAL 109           H        VAL 109   5.789  -5.018   5.203
  659    HA   VAL 109           HA       VAL 109   3.790  -3.187   4.017
  660    HB   VAL 109           HB       VAL 109   4.270  -1.396   5.512
  661   HG11  VAL 109          HG11      VAL 109   3.616  -3.784   7.226
  662   HG12  VAL 109          HG12      VAL 109   2.466  -2.918   6.169
  663   HG13  VAL 109          HG13      VAL 109   3.224  -2.077   7.542
  664   HG21  VAL 109          HG21      VAL 109   6.247  -3.162   6.843
  665   HG22  VAL 109          HG22      VAL 109   5.482  -1.788   7.696
  666   HG23  VAL 109          HG23      VAL 109   6.341  -1.481   6.193
  667    H    ILE 110           H        ILE 110   4.690  -1.227   3.207
  668    HA   ILE 110           HA       ILE 110   7.579  -1.328   2.432
  669    HB   ILE 110           HB       ILE 110   5.289  -1.073   0.490
  670   HG12  ILE 110          HG12      ILE 110   6.749  -3.605   1.253
  671   HG13  ILE 110          HG13      ILE 110   5.037  -3.314   1.177
  672   HG21  ILE 110          HG21      ILE 110   8.250  -1.587  -0.033
  673   HG22  ILE 110          HG22      ILE 110   7.440  -0.017  -0.199
  674   HG23  ILE 110          HG23      ILE 110   7.006  -1.333  -1.265
  675   HD11  ILE 110          HD11      ILE 110   5.530  -4.674  -0.668
  676   HD12  ILE 110          HD12      ILE 110   6.963  -3.738  -1.095
  677   HD13  ILE 110          HD13      ILE 110   5.318  -3.063  -1.358
  678    H    ASN 111           H        ASN 111   8.435   0.698   2.357
  679    HA   ASN 111           HA       ASN 111   6.600   3.034   2.710
  680    HB2  ASN 111           HB2      ASN 111   9.602   2.794   3.103
  681    HB3  ASN 111           HB3      ASN 111   8.613   4.196   3.498
  682   HD21  ASN 111          HD21      ASN 111  10.228   1.874   4.997
  683   HD22  ASN 111          HD22      ASN 111   9.174   1.638   6.388
  684    H    GLY 112           H        GLY 112   7.242   5.053   1.564
  685    HA2  GLY 112           HA2      GLY 112   8.905   4.827  -0.848
  686    HA3  GLY 112           HA3      GLY 112   7.168   4.934  -1.139
  687    HA   PRO 113           HA       PRO 113   8.820   9.293  -0.821
  688    HB2  PRO 113           HB2      PRO 113   7.836  10.237  -3.160
  689    HB3  PRO 113           HB3      PRO 113   9.331   9.271  -3.097
  690    HG2  PRO 113           HG2      PRO 113   6.536   8.240  -3.716
  691    HG3  PRO 113           HG3      PRO 113   8.009   8.050  -4.682
  692    HD2  PRO 113           HD2      PRO 113   7.136   6.178  -2.894
  693    HD3  PRO 113           HD3      PRO 113   8.888   6.484  -3.092
  694    H    GLY 114           H        GLY 114   7.657  10.503   0.462
  695    HA2  GLY 114           HA2      GLY 114   5.380  11.803   0.365
  696    HA3  GLY 114           HA3      GLY 114   4.747  10.209   0.797
  697    H    LYS 115           H        LYS 115   5.511  13.038   2.236
  698    HA   LYS 115           HA       LYS 115   7.321  11.948   4.325
  699    HB2  LYS 115           HB2      LYS 115   7.878  14.182   4.824
  700    HB3  LYS 115           HB3      LYS 115   7.892  13.934   3.072
  701    HG2  LYS 115           HG2      LYS 115   5.487  15.034   3.184
  702    HG3  LYS 115           HG3      LYS 115   5.970  15.501   4.820
  703    HD2  LYS 115           HD2      LYS 115   6.461  17.373   3.442
  704    HD3  LYS 115           HD3      LYS 115   8.023  16.619   3.807
  705    HE2  LYS 115           HE2      LYS 115   7.945  15.429   1.624
  706    HE3  LYS 115           HE3      LYS 115   6.372  16.149   1.275
  707    HZ1  LYS 115           HZ1      LYS 115   8.921  17.646   1.587
  708    HZ2  LYS 115           HZ2      LYS 115   7.442  18.323   1.255
  709    HZ3  LYS 115           HZ3      LYS 115   8.128  17.326   0.166
  710    H    THR 116           H        THR 116   3.981  12.816   4.203
  711    HA   THR 116           HA       THR 116   3.488  11.753   6.840
  712    HB   THR 116           HB       THR 116   4.222  13.933   7.619
  713    HG1  THR 116           HG1      THR 116   2.444  14.494   8.699
  714   HG21  THR 116          HG21      THR 116   2.137  15.185   5.775
  715   HG22  THR 116          HG22      THR 116   3.898  15.276   5.558
  716   HG23  THR 116          HG23      THR 116   3.154  16.021   6.973
  717    H    ASN 117           H        ASN 117   1.193  11.364   7.114
  718    HA   ASN 117           HA       ASN 117  -0.331  11.422   4.623
  719    HB2  ASN 117           HB2      ASN 117  -1.085  10.602   7.464
  720    HB3  ASN 117           HB3      ASN 117  -2.083  10.381   6.032
  721   HD21  ASN 117          HD21      ASN 117  -0.708   9.291   4.118
  722   HD22  ASN 117          HD22      ASN 117   0.325   7.968   4.668
  723    H    GLU 118           H        GLU 118   0.085  13.631   7.272
  724    HA   GLU 118           HA       GLU 118  -2.515  14.785   7.308
  725    HB2  GLU 118           HB2      GLU 118   0.108  15.871   8.401
  726    HB3  GLU 118           HB3      GLU 118  -1.519  16.383   8.872
  727    HG2  GLU 118           HG2      GLU 118  -1.985  14.016   9.616
  728    HG3  GLU 118           HG3      GLU 118  -0.263  13.666   9.389
  729    H    TYR 119           H        TYR 119  -1.118  15.059   4.619
  730    HA   TYR 119           HA       TYR 119  -1.343  16.417   2.853
  731    HB2  TYR 119           HB2      TYR 119  -3.268  17.514   4.095
  732    HB3  TYR 119           HB3      TYR 119  -2.143  18.802   4.511
  733    HD1  TYR 119           HD1      TYR 119  -0.894  19.994   2.580
  734    HD2  TYR 119           HD2      TYR 119  -4.412  17.558   2.025
  735    HE1  TYR 119           HE1      TYR 119  -1.241  21.002   0.328
  736    HE2  TYR 119           HE2      TYR 119  -4.758  18.570  -0.218
  737    HH   TYR 119           HH       TYR 119  -3.996  20.061  -1.756
  738    H    ALA 120           H        ALA 120   0.355  16.973   1.736
  739    HA   ALA 120           HA       ALA 120   2.314  18.905   2.760
  740    HB1  ALA 120           HB1      ALA 120   2.970  16.763   3.848
  741    HB2  ALA 120           HB2      ALA 120   4.191  17.279   2.682
  742    HB3  ALA 120           HB3      ALA 120   3.060  15.978   2.253
  743    H    TYR 121           H        TYR 121   0.548  18.560   0.407
  744    HA   TYR 121           HA       TYR 121   2.286  18.424  -1.965
  745    HB2  TYR 121           HB2      TYR 121  -0.121  17.733  -1.924
  746    HB3  TYR 121           HB3      TYR 121  -0.570  19.397  -1.610
  747    HD1  TYR 121           HD1      TYR 121   1.060  17.144  -4.101
  748    HD2  TYR 121           HD2      TYR 121  -0.813  20.957  -3.401
  749    HE1  TYR 121           HE1      TYR 121   0.840  17.489  -6.566
  750    HE2  TYR 121           HE2      TYR 121  -1.015  21.316  -5.854
  751    HH   TYR 121           HH       TYR 121  -0.040  18.823  -8.225
  752    H1   ACE   6           H1       ACE   6  20.148   0.647  -1.950
  753    H2   ACE   6           H2       ACE   6  21.863   0.964  -1.596
  754    H3   ACE   6           H3       ACE   6  21.327  -0.683  -1.996
  755    H    THR   7           H        THR   7  20.098  -0.781  -4.146
  756    HA   THR   7           HA       THR   7  21.179   0.989  -6.263
  757    HB   THR   7           HB       THR   7  22.838  -0.799  -5.884
  758    HG1  THR   7           HG1      THR   7  22.599  -0.104  -8.006
  759   HG21  THR   7          HG21      THR   7  20.615  -2.753  -6.615
  760   HG22  THR   7          HG22      THR   7  22.339  -3.145  -6.431
  761   HG23  THR   7          HG23      THR   7  21.413  -2.606  -5.032
  762    H    THR   8           H        THR   8  18.515  -0.045  -5.046
  763    HA   THR   8           HA       THR   8  16.945   0.227  -7.482
  764    HB   THR   8           HB       THR   8  17.701  -2.342  -6.942
  765    HG1  THR   8           HG1      THR   8  15.852  -2.891  -8.196
  766   HG21  THR   8          HG21      THR   8  16.272  -2.445  -4.873
  767   HG22  THR   8          HG22      THR   8  14.854  -2.259  -5.938
  768   HG23  THR   8          HG23      THR   8  15.929  -3.657  -6.111
  769    HA   PRO   9           HA       PRO   9  13.764   1.857  -4.657
  770    HB2  PRO   9           HB2      PRO   9  12.041  -0.287  -5.925
  771    HB3  PRO   9           HB3      PRO   9  11.572   1.391  -5.476
  772    HG2  PRO   9           HG2      PRO   9  12.220   0.913  -8.034
  773    HG3  PRO   9           HG3      PRO   9  13.021   2.293  -7.220
  774    HD2  PRO   9           HD2      PRO   9  14.080  -0.520  -7.626
  775    HD3  PRO   9           HD3      PRO   9  14.898   1.038  -7.965
  776    H    ASP  10           H        ASP  10  12.246   1.234  -2.866
  777    HA   ASP  10           HA       ASP  10  13.483  -0.798  -1.183
  778    HB2  ASP  10           HB2      ASP  10  11.140   1.094  -0.737
  779    HB3  ASP  10           HB3      ASP  10  11.774  -0.010   0.483
  780    H2   TYS  11           H2       TYS  11  13.043  -2.912  -1.608
  781    HA   TYS  11           HA       TYS  11  10.328  -3.758  -2.386
  782    HB2  TYS  11           HB2      TYS  11  13.014  -5.040  -2.962
  783    HB3  TYS  11           HB3      TYS  11  11.512  -5.952  -3.015
  784    HD1  TYS  11           HD1      TYS  11   9.469  -4.477  -4.102
  785    HD2  TYS  11           HD2      TYS  11  13.618  -4.384  -5.228
  786    HE1  TYS  11           HE1      TYS  11   8.840  -3.496  -6.151
  787    HE2  TYS  11           HE2      TYS  11  12.954  -3.599  -7.461
  788    H    GLY  12           H        GLY  12  10.142  -3.040  -0.561
  789    HA2  GLY  12           HA2      GLY  12   8.851  -3.236   1.277
  790    HA3  GLY  12           HA3      GLY  12   8.590  -4.867   0.689
  791    H    HIS  13           H        HIS  13   8.284  -4.532   3.446
  792    HA   HIS  13           HA       HIS  13  10.296  -6.488   4.279
  793    HB2  HIS  13           HB2      HIS  13  10.840  -5.316   6.380
  794    HB3  HIS  13           HB3      HIS  13  11.551  -4.557   4.962
  795    HD1  HIS  13           HD1      HIS  13  10.524  -2.234   4.118
  796    HD2  HIS  13           HD2      HIS  13   8.682  -3.851   7.573
  797    HE1  HIS  13           HE1      HIS  13   8.691  -0.577   4.920
  798    HE2  HIS  13           HE2      HIS  13   8.038  -1.332   7.276
  799    H2   TYS  14           H2       TYS  14   9.777  -7.663   6.099
  800    HA   TYS  14           HA       TYS  14   6.905  -7.634   6.735
  801    HB2  TYS  14           HB2      TYS  14   9.159  -9.602   7.208
  802    HB3  TYS  14           HB3      TYS  14   7.614  -9.769   7.986
  803    HD1  TYS  14           HD1      TYS  14   9.031  -9.462   4.398
  804    HD2  TYS  14           HD2      TYS  14   5.757 -10.780   6.936
  805    HE1  TYS  14           HE1      TYS  14   8.283 -10.925   2.688
  806    HE2  TYS  14           HE2      TYS  14   4.976 -12.205   5.128
  807    H    ASP  15           H        ASP  15   5.922  -7.095   8.483
  808    HA   ASP  15           HA       ASP  15   7.553  -5.434  10.343
  809    HB2  ASP  15           HB2      ASP  15   6.072  -3.849  10.165
  810    HB3  ASP  15           HB3      ASP  15   5.664  -4.611   8.644
  811    H    ASP  16           H        ASP  16   6.852  -5.084  12.516
  812    HA   ASP  16           HA       ASP  16   4.959  -7.028  13.660
  813    HB2  ASP  16           HB2      ASP  16   7.201  -8.003  14.043
  814    HB3  ASP  16           HB3      ASP  16   7.706  -6.525  14.867
  815    H    LYS  17           H        LYS  17   6.154  -3.828  13.548
  816    HA   LYS  17           HA       LYS  17   3.901  -3.021  15.291
  817    HB2  LYS  17           HB2      LYS  17   5.289  -1.334  16.481
  818    HB3  LYS  17           HB3      LYS  17   5.522  -3.001  16.935
  819    HG2  LYS  17           HG2      LYS  17   7.628  -1.953  16.997
  820    HG3  LYS  17           HG3      LYS  17   7.651  -3.090  15.669
  821    HD2  LYS  17           HD2      LYS  17   8.833  -1.020  15.143
  822    HD3  LYS  17           HD3      LYS  17   7.467  -1.259  14.059
  823    HE2  LYS  17           HE2      LYS  17   6.138   0.403  15.238
  824    HE3  LYS  17           HE3      LYS  17   7.362   0.536  16.506
  825    HZ1  LYS  17           HZ1      LYS  17   8.910   1.406  14.865
  826    HZ2  LYS  17           HZ2      LYS  17   7.563   2.336  14.916
  827    HZ3  LYS  17           HZ3      LYS  17   7.781   1.283  13.666
  828    H    ASP  18           H        ASP  18   5.605  -2.485  12.448
  829    HA   ASP  18           HA       ASP  18   4.655   0.316  12.205
  830    HB2  ASP  18           HB2      ASP  18   6.205  -1.423  10.253
  831    HB3  ASP  18           HB3      ASP  18   5.760   0.274  10.023
  832    H    THR  19           H        THR  19   3.183  -2.617  11.970
  833    HA   THR  19           HA       THR  19   1.716  -2.665   9.703
  834    HB   THR  19           HB       THR  19   1.580  -4.513  11.265
  835    HG1  THR  19           HG1      THR  19  -0.052  -4.458  10.112
  836   HG21  THR  19          HG21      THR  19   0.249  -2.733  13.287
  837   HG22  THR  19          HG22      THR  19   1.909  -3.407  13.387
  838   HG23  THR  19          HG23      THR  19   0.540  -4.496  13.374
  839    H    LEU  20           H        LEU  20  -0.626  -2.464   9.345
  840    HA   LEU  20           HA       LEU  20  -1.922  -0.112  10.585
  841    HB2  LEU  20           HB2      LEU  20  -1.652   0.360   8.178
  842    HB3  LEU  20           HB3      LEU  20  -2.262  -1.265   7.788
  843    HG   LEU  20           HG       LEU  20  -4.460  -0.596   8.776
  844   HD11  LEU  20          HD11      LEU  20  -4.833   1.897   9.020
  845   HD12  LEU  20          HD12      LEU  20  -3.080   2.125   8.959
  846   HD13  LEU  20          HD13      LEU  20  -3.815   1.206  10.294
  847   HD21  LEU  20          HD21      LEU  20  -5.059   0.882   6.870
  848   HD22  LEU  20          HD22      LEU  20  -4.054  -0.503   6.447
  849   HD23  LEU  20          HD23      LEU  20  -3.319   1.106   6.528
  850    H    ASP  21           H        ASP  21  -3.511  -0.794  11.842
  851    HA   ASP  21           HA       ASP  21  -4.691  -3.475  11.707
  852    HB2  ASP  21           HB2      ASP  21  -5.885  -2.732  13.700
  853    HB3  ASP  21           HB3      ASP  21  -4.153  -2.521  13.885
  854    H    LEU  22           H        LEU  22  -6.309  -3.870  10.437
  855    HA   LEU  22           HA       LEU  22  -8.189  -1.770   9.412
  856    HB2  LEU  22           HB2      LEU  22  -7.313  -4.536   8.617
  857    HB3  LEU  22           HB3      LEU  22  -8.994  -4.115   8.303
  858    HG   LEU  22           HG       LEU  22  -8.341  -2.335   6.822
  859   HD11  LEU  22          HD11      LEU  22  -5.907  -1.977   6.319
  860   HD12  LEU  22          HD12      LEU  22  -5.507  -2.926   7.780
  861   HD13  LEU  22          HD13      LEU  22  -6.405  -1.397   7.915
  862   HD21  LEU  22          HD21      LEU  22  -8.287  -4.681   6.002
  863   HD22  LEU  22          HD22      LEU  22  -6.563  -4.785   6.431
  864   HD23  LEU  22          HD23      LEU  22  -7.094  -3.664   5.153
  865    H    ASN  23           H        ASN  23  -8.085  -4.824  11.191
  866    HA   ASN  23           HA       ASN  23  -9.347  -5.945  12.556
  867    HB2  ASN  23           HB2      ASN  23 -10.431  -3.266  13.398
  868    HB3  ASN  23           HB3      ASN  23 -10.450  -4.767  14.331
  869   HD21  ASN  23          HD21      ASN  23  -7.796  -5.712  13.995
  870   HD22  ASN  23          HD22      ASN  23  -6.864  -4.560  14.936
  871    H    THR  24           H        THR  24 -11.239  -6.784  13.207
  872    HA   THR  24           HA       THR  24 -13.737  -6.349  11.640
  873    HB   THR  24           HB       THR  24 -12.075  -7.581  10.291
  874    HG1  THR  24           HG1      THR  24 -13.613  -9.486  10.008
  875   HG21  THR  24          HG21      THR  24 -10.950  -8.840  12.073
  876   HG22  THR  24          HG22      THR  24 -11.530  -9.916  10.801
  877   HG23  THR  24          HG23      THR  24 -12.397  -9.807  12.351
  878    HA   PRO  25           HA       PRO  25 -13.683  -9.105  15.669
  879    HB2  PRO  25           HB2      PRO  25 -14.253  -7.471  17.800
  880    HB3  PRO  25           HB3      PRO  25 -12.603  -7.723  17.158
  881    HG2  PRO  25           HG2      PRO  25 -14.502  -5.432  16.542
  882    HG3  PRO  25           HG3      PRO  25 -12.757  -5.369  16.988
  883    HD2  PRO  25           HD2      PRO  25 -13.517  -5.244  14.377
  884    HD3  PRO  25           HD3      PRO  25 -12.068  -6.111  14.943
  885    H    VAL  26           H        VAL  26 -15.452 -10.274  16.032
  886    HA   VAL  26           HA       VAL  26 -17.957  -9.131  16.924
  887    HB   VAL  26           HB       VAL  26 -18.156  -8.833  14.470
  888   HG11  VAL  26          HG11      VAL  26 -18.167 -11.863  14.231
  889   HG12  VAL  26          HG12      VAL  26 -16.863 -10.791  13.678
  890   HG13  VAL  26          HG13      VAL  26 -18.471 -10.679  12.951
  891   HG21  VAL  26          HG21      VAL  26 -20.149  -9.137  15.884
  892   HG22  VAL  26          HG22      VAL  26 -20.125 -10.876  15.520
  893   HG23  VAL  26          HG23      VAL  26 -20.369  -9.699  14.225
  894    H    ASP  27           H        ASP  27 -19.202 -10.654  18.062
  895    HA   ASP  27           HA       ASP  27 -17.864 -13.288  18.549
  896    HB2  ASP  27           HB2      ASP  27 -19.662 -11.586  20.311
  897    HB3  ASP  27           HB3      ASP  27 -19.042 -13.180  20.736
  898    H    LYS  28           H        LYS  28 -20.563 -12.054  16.983
  899    HA   LYS  28           HA       LYS  28 -21.509 -14.815  16.540
  900    HB2  LYS  28           HB2      LYS  28 -23.049 -13.922  18.214
  901    HB3  LYS  28           HB3      LYS  28 -23.341 -12.486  17.245
  902    HG2  LYS  28           HG2      LYS  28 -25.193 -14.176  17.267
  903    HG3  LYS  28           HG3      LYS  28 -24.677 -13.659  15.681
  904    HD2  LYS  28           HD2      LYS  28 -23.261 -15.784  15.549
  905    HD3  LYS  28           HD3      LYS  28 -24.079 -16.323  17.032
  906    HE2  LYS  28           HE2      LYS  28 -26.260 -16.171  15.878
  907    HE3  LYS  28           HE3      LYS  28 -25.480 -15.452  14.462
  908    HZ1  LYS  28           HZ1      LYS  28 -25.197 -18.231  15.432
  909    HZ2  LYS  28           HZ2      LYS  28 -24.179 -17.588  14.292
  910    HZ3  LYS  28           HZ3      LYS  28 -25.789 -17.743  14.010
  911    HN1  NH2  29           HN1      NH2  29 -19.758 -13.831  14.871
  912    HN2  NH2  29           HN2      NH2  29 -20.511 -13.188  13.422
  Start of MODEL   10
    1    H1   ASN  31           H1       ASN  31   7.126   1.281 -16.189
    2    H2   ASN  31           H2       ASN  31   5.993   2.302 -16.780
    3    H3   ASN  31           H3       ASN  31   7.371   2.905 -16.115
    4    HA   ASN  31           HA       ASN  31   5.579   3.195 -14.571
    5    HB2  ASN  31           HB2      ASN  31   4.173   1.384 -15.456
    6    HB3  ASN  31           HB3      ASN  31   5.288   0.173 -14.811
    7   HD21  ASN  31          HD21      ASN  31   3.296  -0.657 -13.667
    8   HD22  ASN  31          HD22      ASN  31   2.704   0.236 -12.254
    9    H    SER  32           H        SER  32   7.720   3.894 -13.891
   10    HA   SER  32           HA       SER  32   8.662   2.423 -11.503
   11    HB2  SER  32           HB2      SER  32   9.970   1.556 -13.447
   12    HB3  SER  32           HB3      SER  32  10.598   3.188 -13.722
   13    HG   SER  32           HG       SER  32  11.757   3.078 -11.915
   14    H    GLY  33           H        GLY  33   8.329   5.406 -13.319
   15    HA2  GLY  33           HA2      GLY  33   9.719   7.132 -11.393
   16    HA3  GLY  33           HA3      GLY  33   8.701   7.625 -12.747
   17    H    LEU  34           H        LEU  34   7.858   9.219 -11.066
   18    HA   LEU  34           HA       LEU  34   6.323   8.257  -8.818
   19    HB2  LEU  34           HB2      LEU  34   6.271  10.916 -10.293
   20    HB3  LEU  34           HB3      LEU  34   5.386  10.583  -8.809
   21    HG   LEU  34           HG       LEU  34   8.415  10.580  -9.092
   22   HD11  LEU  34          HD11      LEU  34   6.515  12.503  -7.685
   23   HD12  LEU  34          HD12      LEU  34   7.386  12.821  -9.201
   24   HD13  LEU  34          HD13      LEU  34   8.292  12.599  -7.699
   25   HD21  LEU  34          HD21      LEU  34   6.663  10.203  -6.629
   26   HD22  LEU  34          HD22      LEU  34   8.425  10.462  -6.611
   27   HD23  LEU  34          HD23      LEU  34   7.775   8.999  -7.338
   28    HA   PRO  35           HA       PRO  35   2.544   7.431 -11.266
   29    HB2  PRO  35           HB2      PRO  35   1.215   5.894  -9.495
   30    HB3  PRO  35           HB3      PRO  35   2.679   5.278 -10.320
   31    HG2  PRO  35           HG2      PRO  35   2.457   6.435  -7.527
   32    HG3  PRO  35           HG3      PRO  35   3.316   4.953  -8.051
   33    HD2  PRO  35           HD2      PRO  35   4.514   7.451  -7.712
   34    HD3  PRO  35           HD3      PRO  35   5.153   6.181  -8.784
   35    H    THR  36           H        THR  36   0.320   8.125 -11.028
   36    HA   THR  36           HA       THR  36  -0.516   9.481  -8.528
   37    HB   THR  36           HB       THR  36   0.475  11.268  -9.816
   38    HG1  THR  36           HG1      THR  36  -2.302  11.213  -9.523
   39   HG21  THR  36          HG21      THR  36  -0.548  12.097 -11.894
   40   HG22  THR  36          HG22      THR  36  -1.640  10.698 -11.948
   41   HG23  THR  36          HG23      THR  36   0.114  10.476 -12.141
   42    H    THR  37           H        THR  37  -1.331   7.170 -10.732
   43    HA   THR  37           HA       THR  37  -4.181   7.416  -9.942
   44    HB   THR  37           HB       THR  37  -4.793   6.241 -12.074
   45    HG1  THR  37           HG1      THR  37  -3.414   6.428 -13.791
   46   HG21  THR  37          HG21      THR  37  -5.219   8.648 -11.790
   47   HG22  THR  37          HG22      THR  37  -4.808   8.261 -13.463
   48   HG23  THR  37          HG23      THR  37  -3.595   9.020 -12.412
   49    H    LEU  38           H        LEU  38  -5.153   5.630  -9.255
   50    HA   LEU  38           HA       LEU  38  -3.570   3.875  -7.831
   51    HB2  LEU  38           HB2      LEU  38  -6.140   4.598  -7.791
   52    HB3  LEU  38           HB3      LEU  38  -6.352   3.021  -8.544
   53    HG   LEU  38           HG       LEU  38  -5.128   3.650  -5.848
   54   HD11  LEU  38          HD11      LEU  38  -7.562   3.898  -5.935
   55   HD12  LEU  38          HD12      LEU  38  -7.130   2.486  -4.966
   56   HD13  LEU  38          HD13      LEU  38  -7.729   2.268  -6.625
   57   HD21  LEU  38          HD21      LEU  38  -5.540   0.937  -7.174
   58   HD22  LEU  38          HD22      LEU  38  -5.244   1.158  -5.437
   59   HD23  LEU  38          HD23      LEU  38  -4.008   1.637  -6.593
   60    H    GLY  39           H        GLY  39  -5.067   3.098 -11.039
   61    HA2  GLY  39           HA2      GLY  39  -4.514   0.333 -11.041
   62    HA3  GLY  39           HA3      GLY  39  -4.613   1.327 -12.492
   63    H    LYS  40           H        LYS  40  -2.355   2.910 -12.313
   64    HA   LYS  40           HA       LYS  40  -0.229   1.163 -13.116
   65    HB2  LYS  40           HB2      LYS  40  -0.033   4.080 -12.233
   66    HB3  LYS  40           HB3      LYS  40   1.163   3.169 -13.168
   67    HG2  LYS  40           HG2      LYS  40  -0.708   2.802 -14.909
   68    HG3  LYS  40           HG3      LYS  40  -1.621   4.041 -14.029
   69    HD2  LYS  40           HD2      LYS  40   0.253   5.639 -14.425
   70    HD3  LYS  40           HD3      LYS  40   1.089   4.378 -15.353
   71    HE2  LYS  40           HE2      LYS  40  -0.678   4.302 -17.010
   72    HE3  LYS  40           HE3      LYS  40  -1.705   5.368 -16.042
   73    HZ1  LYS  40           HZ1      LYS  40   0.913   6.233 -17.175
   74    HZ2  LYS  40           HZ2      LYS  40  -0.181   7.160 -16.393
   75    HZ3  LYS  40           HZ3      LYS  40  -0.531   6.552 -17.873
   76    H    LEU  41           H        LEU  41  -0.882   2.787 -10.031
   77    HA   LEU  41           HA       LEU  41   1.482   1.859  -8.679
   78    HB2  LEU  41           HB2      LEU  41   0.228   3.768  -7.860
   79    HB3  LEU  41           HB3      LEU  41  -1.231   2.795  -7.671
   80    HG   LEU  41           HG       LEU  41  -0.150   1.455  -5.909
   81   HD11  LEU  41          HD11      LEU  41   2.173   3.419  -6.120
   82   HD12  LEU  41          HD12      LEU  41   2.247   1.697  -6.576
   83   HD13  LEU  41          HD13      LEU  41   1.948   2.145  -4.900
   84   HD21  LEU  41          HD21      LEU  41  -1.422   3.454  -5.293
   85   HD22  LEU  41          HD22      LEU  41   0.059   4.436  -5.396
   86   HD23  LEU  41          HD23      LEU  41  -0.072   3.149  -4.170
   87    H    ASP  42           H        ASP  42  -1.864   0.496  -8.768
   88    HA   ASP  42           HA       ASP  42  -1.430  -1.759  -7.088
   89    HB2  ASP  42           HB2      ASP  42  -3.653  -1.093  -7.621
   90    HB3  ASP  42           HB3      ASP  42  -3.334  -1.081  -9.349
   91    H    GLU  43           H        GLU  43  -0.907  -1.463 -10.588
   92    HA   GLU  43           HA       GLU  43  -0.144  -4.229 -10.962
   93    HB2  GLU  43           HB2      GLU  43  -0.921  -2.684 -12.752
   94    HB3  GLU  43           HB3      GLU  43   0.601  -1.788 -12.635
   95    HG2  GLU  43           HG2      GLU  43   1.866  -3.726 -13.373
   96    HG3  GLU  43           HG3      GLU  43   0.458  -4.782 -13.202
   97    H    ARG  44           H        ARG  44   1.655  -1.337  -9.996
   98    HA   ARG  44           HA       ARG  44   4.268  -2.655 -10.003
   99    HB2  ARG  44           HB2      ARG  44   3.530  -0.017  -9.921
  100    HB3  ARG  44           HB3      ARG  44   3.787  -0.302  -8.200
  101    HG2  ARG  44           HG2      ARG  44   6.057  -1.270  -8.779
  102    HG3  ARG  44           HG3      ARG  44   5.772  -0.826 -10.467
  103    HD2  ARG  44           HD2      ARG  44   5.900   1.120  -8.129
  104    HD3  ARG  44           HD3      ARG  44   7.219   0.773  -9.252
  105    HE   ARG  44           HE       ARG  44   4.955   1.613 -10.780
  106   HH11  ARG  44          HH11      ARG  44   7.441   3.015  -8.671
  107   HH12  ARG  44          HH12      ARG  44   7.245   4.576  -9.457
  108   HH21  ARG  44          HH21      ARG  44   4.768   3.668 -11.595
  109   HH22  ARG  44          HH22      ARG  44   5.813   4.926 -10.948
  110    H    LEU  45           H        LEU  45   1.857  -1.894  -7.440
  111    HA   LEU  45           HA       LEU  45   3.290  -3.015  -5.258
  112    HB2  LEU  45           HB2      LEU  45   0.335  -2.566  -5.736
  113    HB3  LEU  45           HB3      LEU  45   0.979  -3.147  -4.209
  114    HG   LEU  45           HG       LEU  45   1.719  -0.478  -5.474
  115   HD11  LEU  45          HD11      LEU  45  -0.609  -0.556  -4.732
  116   HD12  LEU  45          HD12      LEU  45   0.349   0.436  -3.610
  117   HD13  LEU  45          HD13      LEU  45  -0.117  -1.221  -3.169
  118   HD21  LEU  45          HD21      LEU  45   2.664   0.051  -3.247
  119   HD22  LEU  45          HD22      LEU  45   3.553  -1.238  -4.054
  120   HD23  LEU  45          HD23      LEU  45   2.409  -1.628  -2.744
  121    H    ARG  46           H        ARG  46   0.962  -4.657  -7.443
  122    HA   ARG  46           HA       ARG  46   1.084  -7.229  -6.108
  123    HB2  ARG  46           HB2      ARG  46   0.525  -6.425  -8.996
  124    HB3  ARG  46           HB3      ARG  46   0.396  -8.092  -8.405
  125    HG2  ARG  46           HG2      ARG  46  -1.340  -7.511  -6.835
  126    HG3  ARG  46           HG3      ARG  46  -1.127  -5.783  -7.129
  127    HD2  ARG  46           HD2      ARG  46  -1.778  -6.220  -9.547
  128    HD3  ARG  46           HD3      ARG  46  -2.266  -7.846  -9.052
  129    HE   ARG  46           HE       ARG  46  -3.438  -5.222  -8.188
  130   HH11  ARG  46          HH11      ARG  46  -3.929  -8.730  -8.076
  131   HH12  ARG  46          HH12      ARG  46  -5.667  -8.476  -7.865
  132   HH21  ARG  46          HH21      ARG  46  -5.368  -5.075  -7.567
  133   HH22  ARG  46          HH22      ARG  46  -6.442  -6.495  -7.407
  134    H    ASN  47           H        ASN  47   3.204  -5.635  -8.442
  135    HA   ASN  47           HA       ASN  47   4.986  -7.963  -8.687
  136    HB2  ASN  47           HB2      ASN  47   4.986  -5.130  -9.737
  137    HB3  ASN  47           HB3      ASN  47   6.495  -6.007  -9.644
  138   HD21  ASN  47          HD21      ASN  47   3.538  -5.647 -11.418
  139   HD22  ASN  47          HD22      ASN  47   3.968  -6.893 -12.611
  140    H    TYR  48           H        TYR  48   4.914  -5.104  -6.505
  141    HA   TYR  48           HA       TYR  48   7.480  -5.454  -5.510
  142    HB2  TYR  48           HB2      TYR  48   4.975  -4.319  -4.292
  143    HB3  TYR  48           HB3      TYR  48   6.282  -4.673  -3.269
  144    HD1  TYR  48           HD1      TYR  48   5.256  -2.528  -6.107
  145    HD2  TYR  48           HD2      TYR  48   8.064  -3.162  -2.949
  146    HE1  TYR  48           HE1      TYR  48   6.034  -0.191  -6.353
  147    HE2  TYR  48           HE2      TYR  48   8.916  -0.830  -3.230
  148    HH   TYR  48           HH       TYR  48   8.528   1.216  -4.234
  149    H    LEU  49           H        LEU  49   4.584  -7.278  -4.478
  150    HA   LEU  49           HA       LEU  49   5.967  -8.652  -2.384
  151    HB2  LEU  49           HB2      LEU  49   3.644  -9.587  -4.120
  152    HB3  LEU  49           HB3      LEU  49   4.213 -10.441  -2.680
  153    HG   LEU  49           HG       LEU  49   3.235  -7.589  -2.618
  154   HD11  LEU  49          HD11      LEU  49   1.133  -8.546  -1.687
  155   HD12  LEU  49          HD12      LEU  49   1.755 -10.181  -1.974
  156   HD13  LEU  49          HD13      LEU  49   1.415  -9.096  -3.344
  157   HD21  LEU  49          HD21      LEU  49   3.624  -9.611  -0.382
  158   HD22  LEU  49          HD22      LEU  49   2.968  -7.974  -0.205
  159   HD23  LEU  49          HD23      LEU  49   4.648  -8.190  -0.695
  160    H    LYS  50           H        LYS  50   5.785  -9.497  -5.878
  161    HA   LYS  50           HA       LYS  50   7.248 -11.981  -5.513
  162    HB2  LYS  50           HB2      LYS  50   7.144 -10.291  -8.029
  163    HB3  LYS  50           HB3      LYS  50   7.581 -12.003  -7.836
  164    HG2  LYS  50           HG2      LYS  50   5.283 -12.554  -7.158
  165    HG3  LYS  50           HG3      LYS  50   4.799 -10.860  -7.340
  166    HD2  LYS  50           HD2      LYS  50   5.832 -12.661  -9.580
  167    HD3  LYS  50           HD3      LYS  50   4.143 -12.231  -9.272
  168    HE2  LYS  50           HE2      LYS  50   4.788  -9.797  -9.532
  169    HE3  LYS  50           HE3      LYS  50   6.386 -10.312 -10.084
  170    HZ1  LYS  50           HZ1      LYS  50   3.823 -11.125 -11.352
  171    HZ2  LYS  50           HZ2      LYS  50   5.322 -11.404 -11.969
  172    HZ3  LYS  50           HZ3      LYS  50   4.711  -9.877 -11.884
  173    H    LYS  51           H        LYS  51   8.229  -8.679  -6.334
  174    HA   LYS  51           HA       LYS  51  11.082  -9.109  -6.614
  175    HB2  LYS  51           HB2      LYS  51   9.365  -6.695  -6.114
  176    HB3  LYS  51           HB3      LYS  51  11.127  -6.625  -6.386
  177    HG2  LYS  51           HG2      LYS  51  10.822  -7.755  -8.558
  178    HG3  LYS  51           HG3      LYS  51   9.060  -7.764  -8.300
  179    HD2  LYS  51           HD2      LYS  51   9.048  -5.317  -8.244
  180    HD3  LYS  51           HD3      LYS  51  10.820  -5.309  -8.550
  181    HE2  LYS  51           HE2      LYS  51  10.385  -6.716 -10.574
  182    HE3  LYS  51           HE3      LYS  51   8.643  -6.506 -10.298
  183    HZ1  LYS  51           HZ1      LYS  51   8.915  -4.149 -10.679
  184    HZ2  LYS  51           HZ2      LYS  51   9.580  -4.964 -11.949
  185    HZ3  LYS  51           HZ3      LYS  51  10.554  -4.292 -10.808
  186    H    GLY  52           H        GLY  52   9.101  -8.868  -3.798
  187    HA2  GLY  52           HA2      GLY  52  11.388  -7.966  -2.128
  188    HA3  GLY  52           HA3      GLY  52   9.680  -7.668  -1.923
  189    H    THR  53           H        THR  53   8.633 -10.353  -2.064
  190    HA   THR  53           HA       THR  53   9.412 -11.239   0.641
  191    HB   THR  53           HB       THR  53   7.285 -12.234   0.759
  192    HG1  THR  53           HG1      THR  53   6.896 -11.535  -2.007
  193   HG21  THR  53          HG21      THR  53   5.689 -10.455   0.381
  194   HG22  THR  53          HG22      THR  53   6.886  -9.550  -0.577
  195   HG23  THR  53          HG23      THR  53   7.167  -9.879   1.142
  196    H    LYS  54           H        LYS  54   9.176 -13.607   1.159
  197    HA   LYS  54           HA       LYS  54  10.699 -15.261  -0.667
  198    HB2  LYS  54           HB2      LYS  54   9.287 -15.964   1.923
  199    HB3  LYS  54           HB3      LYS  54  10.393 -17.020   1.053
  200    HG2  LYS  54           HG2      LYS  54  12.273 -15.539   1.431
  201    HG3  LYS  54           HG3      LYS  54  11.222 -14.273   2.078
  202    HD2  LYS  54           HD2      LYS  54  10.574 -15.778   3.953
  203    HD3  LYS  54           HD3      LYS  54  11.777 -16.960   3.386
  204    HE2  LYS  54           HE2      LYS  54  13.574 -15.296   3.689
  205    HE3  LYS  54           HE3      LYS  54  12.382 -14.053   4.085
  206    HZ1  LYS  54           HZ1      LYS  54  13.111 -16.399   5.747
  207    HZ2  LYS  54           HZ2      LYS  54  11.740 -15.511   6.014
  208    HZ3  LYS  54           HZ3      LYS  54  13.208 -14.826   6.145
  209    H    ASN  55           H        ASN  55   7.275 -14.994   0.178
  210    HA   ASN  55           HA       ASN  55   6.528 -16.234  -2.356
  211    HB2  ASN  55           HB2      ASN  55   6.494 -18.199  -0.861
  212    HB3  ASN  55           HB3      ASN  55   5.655 -17.269   0.392
  213   HD21  ASN  55          HD21      ASN  55   3.892 -18.794   0.428
  214   HD22  ASN  55          HD22      ASN  55   2.742 -18.843  -0.897
  215    H    SER  56           H        SER  56   5.303 -14.800  -3.258
  216    HA   SER  56           HA       SER  56   3.761 -12.791  -1.879
  217    HB2  SER  56           HB2      SER  56   3.041 -12.204  -4.200
  218    HB3  SER  56           HB3      SER  56   4.800 -12.340  -4.026
  219    HG   SER  56           HG       SER  56   4.808 -14.235  -5.092
  220    H    ALA  57           H        ALA  57   2.880 -16.065  -2.800
  221    HA   ALA  57           HA       ALA  57   0.164 -15.464  -3.532
  222    HB1  ALA  57           HB1      ALA  57  -0.029 -17.887  -3.785
  223    HB2  ALA  57           HB2      ALA  57   1.481 -18.134  -2.886
  224    HB3  ALA  57           HB3      ALA  57   1.506 -17.324  -4.471
  225    H    GLN  58           H        GLN  58   1.477 -15.836  -0.398
  226    HA   GLN  58           HA       GLN  58  -0.894 -16.930   0.900
  227    HB2  GLN  58           HB2      GLN  58   0.297 -16.441   2.965
  228    HB3  GLN  58           HB3      GLN  58   1.348 -17.273   1.819
  229    HG2  GLN  58           HG2      GLN  58   2.393 -15.054   1.223
  230    HG3  GLN  58           HG3      GLN  58   1.397 -14.271   2.411
  231   HE21  GLN  58          HE21      GLN  58   4.438 -14.998   1.912
  232   HE22  GLN  58          HE22      GLN  58   4.906 -15.517   3.507
  233    H    PHE  59           H        PHE  59  -0.101 -13.834  -0.327
  234    HA   PHE  59           HA       PHE  59  -1.585 -12.261   1.639
  235    HB2  PHE  59           HB2      PHE  59  -0.149 -11.523  -0.900
  236    HB3  PHE  59           HB3      PHE  59  -0.989 -10.382   0.145
  237    HD1  PHE  59           HD1      PHE  59  -0.208  -9.933   2.472
  238    HD2  PHE  59           HD2      PHE  59   2.042 -12.477  -0.173
  239    HE1  PHE  59           HE1      PHE  59   1.771  -9.725   3.949
  240    HE2  PHE  59           HE2      PHE  59   4.010 -12.297   1.322
  241    HZ   PHE  59           HZ       PHE  59   3.887 -10.906   3.373
  242    H    GLU  60           H        GLU  60  -3.427 -11.004   1.234
  243    HA   GLU  60           HA       GLU  60  -5.324 -12.145  -0.810
  244    HB2  GLU  60           HB2      GLU  60  -5.693 -13.351   1.180
  245    HB3  GLU  60           HB3      GLU  60  -5.564 -11.913   2.199
  246    HG2  GLU  60           HG2      GLU  60  -7.693 -11.060   1.356
  247    HG3  GLU  60           HG3      GLU  60  -7.808 -12.398   0.199
  248    H    LYS  61           H        LYS  61  -4.651  -9.368   1.401
  249    HA   LYS  61           HA       LYS  61  -5.539  -7.678  -0.800
  250    HB2  LYS  61           HB2      LYS  61  -7.155  -6.408   0.203
  251    HB3  LYS  61           HB3      LYS  61  -7.597  -8.044   0.619
  252    HG2  LYS  61           HG2      LYS  61  -6.832  -7.673   2.944
  253    HG3  LYS  61           HG3      LYS  61  -6.245  -6.051   2.511
  254    HD2  LYS  61           HD2      LYS  61  -8.482  -5.307   1.908
  255    HD3  LYS  61           HD3      LYS  61  -9.088  -6.953   2.020
  256    HE2  LYS  61           HE2      LYS  61  -8.364  -6.784   4.544
  257    HE3  LYS  61           HE3      LYS  61  -8.356  -5.042   4.219
  258    HZ1  LYS  61           HZ1      LYS  61 -10.713  -5.263   3.515
  259    HZ2  LYS  61           HZ2      LYS  61 -10.486  -5.700   5.072
  260    HZ3  LYS  61           HZ3      LYS  61 -10.688  -6.862   3.946
  261    H    MET  62           H        MET  62  -5.271  -5.368  -0.275
  262    HA   MET  62           HA       MET  62  -2.961  -4.743   1.448
  263    HB2  MET  62           HB2      MET  62  -1.687  -3.697  -0.330
  264    HB3  MET  62           HB3      MET  62  -1.973  -5.393  -0.724
  265    HG2  MET  62           HG2      MET  62  -3.754  -4.774  -2.289
  266    HG3  MET  62           HG3      MET  62  -3.565  -3.066  -1.868
  267    HE1  MET  62           HE1      MET  62  -3.582  -4.220  -4.828
  268    HE2  MET  62           HE2      MET  62  -2.251  -3.316  -5.573
  269    HE3  MET  62           HE3      MET  62  -3.383  -2.486  -4.482
  270    H    VAL  63           H        VAL  63  -2.675  -2.475   1.808
  271    HA   VAL  63           HA       VAL  63  -4.891  -0.693   0.998
  272    HB   VAL  63           HB       VAL  63  -5.510  -1.759   3.166
  273   HG11  VAL  63          HG11      VAL  63  -4.335  -1.624   5.062
  274   HG12  VAL  63          HG12      VAL  63  -3.320  -0.236   4.526
  275   HG13  VAL  63          HG13      VAL  63  -3.034  -1.856   3.897
  276   HG21  VAL  63          HG21      VAL  63  -4.940   1.218   3.442
  277   HG22  VAL  63          HG22      VAL  63  -6.024   0.247   4.459
  278   HG23  VAL  63          HG23      VAL  63  -6.403   0.479   2.752
  279    H    ILE  64           H        ILE  64  -4.306   1.393   0.744
  280    HA   ILE  64           HA       ILE  64  -1.356   1.950   0.751
  281    HB   ILE  64           HB       ILE  64  -3.543   2.814  -1.176
  282   HG12  ILE  64          HG12      ILE  64  -1.313   0.854  -1.831
  283   HG13  ILE  64          HG13      ILE  64  -2.871   0.293  -1.240
  284   HG21  ILE  64          HG21      ILE  64  -0.511   3.116  -1.403
  285   HG22  ILE  64          HG22      ILE  64  -1.645   4.430  -1.011
  286   HG23  ILE  64          HG23      ILE  64  -1.720   3.660  -2.586
  287   HD11  ILE  64          HD11      ILE  64  -2.441   1.843  -3.805
  288   HD12  ILE  64          HD12      ILE  64  -4.026   1.397  -3.126
  289   HD13  ILE  64          HD13      ILE  64  -2.883   0.137  -3.619
  290    H    LEU  65           H        LEU  65  -0.726   3.691   1.924
  291    HA   LEU  65           HA       LEU  65  -2.775   5.733   2.680
  292    HB2  LEU  65           HB2      LEU  65  -0.270   5.185   4.282
  293    HB3  LEU  65           HB3      LEU  65  -1.686   6.144   4.694
  294    HG   LEU  65           HG       LEU  65  -1.515   3.127   4.624
  295   HD11  LEU  65          HD11      LEU  65  -2.174   5.101   6.851
  296   HD12  LEU  65          HD12      LEU  65  -0.573   4.395   6.595
  297   HD13  LEU  65          HD13      LEU  65  -1.947   3.348   7.015
  298   HD21  LEU  65          HD21      LEU  65  -3.923   4.941   5.108
  299   HD22  LEU  65          HD22      LEU  65  -3.875   3.207   5.515
  300   HD23  LEU  65          HD23      LEU  65  -3.772   3.720   3.833
  301    H    THR  66           H        THR  66  -2.499   7.545   1.623
  302    HA   THR  66           HA       THR  66   0.226   8.277   0.623
  303    HB   THR  66           HB       THR  66  -0.834   9.740  -0.933
  304    HG1  THR  66           HG1      THR  66  -2.590  10.464   0.118
  305   HG21  THR  66          HG21      THR  66  -0.652   7.364  -1.613
  306   HG22  THR  66          HG22      THR  66  -2.017   8.193  -2.382
  307   HG23  THR  66          HG23      THR  66  -2.310   7.081  -1.034
  308    H    GLU  67           H        GLU  67   0.739  10.648   0.604
  309    HA   GLU  67           HA       GLU  67   0.109  12.069   3.016
  310    HB2  GLU  67           HB2      GLU  67   0.707  13.451   0.415
  311    HB3  GLU  67           HB3      GLU  67   1.084  13.953   2.062
  312    HG2  GLU  67           HG2      GLU  67   2.612  11.792   2.092
  313    HG3  GLU  67           HG3      GLU  67   2.445  11.857   0.345
  314    H    ASN  68           H        ASN  68  -1.229  14.116   3.045
  315    HA   ASN  68           HA       ASN  68  -3.253  15.146   3.003
  316    HB2  ASN  68           HB2      ASN  68  -3.529  14.131   0.164
  317    HB3  ASN  68           HB3      ASN  68  -4.317  15.528   0.847
  318   HD21  ASN  68          HD21      ASN  68  -1.883  14.755  -1.173
  319   HD22  ASN  68          HD22      ASN  68  -0.674  15.982  -0.733
  320    H    LYS  69           H        LYS  69  -3.093  12.575   4.092
  321    HA   LYS  69           HA       LYS  69  -4.243  10.829   4.928
  322    HB2  LYS  69           HB2      LYS  69  -6.256  13.083   4.929
  323    HB3  LYS  69           HB3      LYS  69  -6.654  11.538   5.671
  324    HG2  LYS  69           HG2      LYS  69  -4.109  13.010   6.407
  325    HG3  LYS  69           HG3      LYS  69  -5.652  13.343   7.176
  326    HD2  LYS  69           HD2      LYS  69  -5.848  11.147   8.079
  327    HD3  LYS  69           HD3      LYS  69  -4.560  10.506   7.051
  328    HE2  LYS  69           HE2      LYS  69  -2.890  11.877   8.187
  329    HE3  LYS  69           HE3      LYS  69  -4.139  12.607   9.212
  330    HZ1  LYS  69           HZ1      LYS  69  -2.859  10.647  10.199
  331    HZ2  LYS  69           HZ2      LYS  69  -3.635   9.678   9.155
  332    HZ3  LYS  69           HZ3      LYS  69  -4.498  10.531  10.276
  333    H    GLY  70           H        GLY  70  -4.266  10.777   1.956
  334    HA2  GLY  70           HA2      GLY  70  -6.661   9.395   1.157
  335    HA3  GLY  70           HA3      GLY  70  -5.080   9.203   0.411
  336    H    TYR  71           H        TYR  71  -7.300   7.390   1.344
  337    HA   TYR  71           HA       TYR  71  -5.647   5.179   2.424
  338    HB2  TYR  71           HB2      TYR  71  -6.729   6.257   4.376
  339    HB3  TYR  71           HB3      TYR  71  -8.297   6.097   3.617
  340    HD1  TYR  71           HD1      TYR  71  -9.099   3.616   3.072
  341    HD2  TYR  71           HD2      TYR  71  -6.045   4.617   5.972
  342    HE1  TYR  71           HE1      TYR  71  -9.534   1.492   4.297
  343    HE2  TYR  71           HE2      TYR  71  -6.557   2.563   7.218
  344    HH   TYR  71           HH       TYR  71  -7.921   0.733   7.411
  345    H    TYR  72           H        TYR  72  -5.912   3.576   0.985
  346    HA   TYR  72           HA       TYR  72  -8.521   3.150  -0.431
  347    HB2  TYR  72           HB2      TYR  72  -5.782   3.037  -1.753
  348    HB3  TYR  72           HB3      TYR  72  -7.341   2.849  -2.522
  349    HD1  TYR  72           HD1      TYR  72  -4.977   5.280  -0.986
  350    HD2  TYR  72           HD2      TYR  72  -8.584   4.768  -3.300
  351    HE1  TYR  72           HE1      TYR  72  -4.908   7.689  -1.634
  352    HE2  TYR  72           HE2      TYR  72  -8.490   7.162  -3.974
  353    HH   TYR  72           HH       TYR  72  -7.406   9.168  -3.729
  354    H    THR  73           H        THR  73  -8.949   0.888  -0.845
  355    HA   THR  73           HA       THR  73  -6.875  -1.043   0.106
  356    HB   THR  73           HB       THR  73  -8.371  -0.505   1.977
  357    HG1  THR  73           HG1      THR  73  -8.766  -2.635   2.476
  358   HG21  THR  73          HG21      THR  73 -10.581  -1.904   0.421
  359   HG22  THR  73          HG22      THR  73 -10.502  -0.148   0.683
  360   HG23  THR  73          HG23      THR  73 -10.659  -1.235   2.063
  361    H    VAL  74           H        VAL  74  -6.796  -2.999  -0.895
  362    HA   VAL  74           HA       VAL  74  -8.674  -3.528  -3.163
  363    HB   VAL  74           HB       VAL  74  -5.652  -3.234  -3.442
  364   HG11  VAL  74          HG11      VAL  74  -6.471  -5.023  -4.898
  365   HG12  VAL  74          HG12      VAL  74  -6.086  -3.606  -5.859
  366   HG13  VAL  74          HG13      VAL  74  -7.787  -3.977  -5.493
  367   HG21  VAL  74          HG21      VAL  74  -6.693  -1.017  -3.407
  368   HG22  VAL  74          HG22      VAL  74  -7.900  -1.537  -4.605
  369   HG23  VAL  74          HG23      VAL  74  -6.182  -1.414  -5.045
  370    H    TYR  75           H        TYR  75  -9.253  -5.583  -3.104
  371    HA   TYR  75           HA       TYR  75  -7.704  -7.691  -1.798
  372    HB2  TYR  75           HB2      TYR  75 -10.239  -7.628  -3.442
  373    HB3  TYR  75           HB3      TYR  75  -9.415  -9.141  -3.100
  374    HD1  TYR  75           HD1      TYR  75 -11.144  -6.243  -1.487
  375    HD2  TYR  75           HD2      TYR  75  -9.361 -10.136  -0.913
  376    HE1  TYR  75           HE1      TYR  75 -12.063  -6.334   0.827
  377    HE2  TYR  75           HE2      TYR  75 -10.287 -10.220   1.385
  378    HH   TYR  75           HH       TYR  75 -11.586  -9.169   2.958
  379    H    LEU  76           H        LEU  76  -6.182  -8.863  -2.570
  380    HA   LEU  76           HA       LEU  76  -5.025  -8.447  -5.237
  381    HB2  LEU  76           HB2      LEU  76  -4.293 -10.204  -2.853
  382    HB3  LEU  76           HB3      LEU  76  -3.310 -10.063  -4.304
  383    HG   LEU  76           HG       LEU  76  -4.023  -7.629  -2.601
  384   HD11  LEU  76          HD11      LEU  76  -1.840  -7.834  -1.566
  385   HD12  LEU  76          HD12      LEU  76  -1.544  -9.373  -2.418
  386   HD13  LEU  76          HD13      LEU  76  -2.834  -9.247  -1.196
  387   HD21  LEU  76          HD21      LEU  76  -1.815  -8.170  -4.628
  388   HD22  LEU  76          HD22      LEU  76  -2.009  -6.682  -3.683
  389   HD23  LEU  76          HD23      LEU  76  -3.230  -7.119  -4.882
  390    H    ASN  77           H        ASN  77  -7.059 -10.805  -3.657
  391    HA   ASN  77           HA       ASN  77  -6.775 -13.105  -5.199
  392    HB2  ASN  77           HB2      ASN  77  -9.281 -11.832  -3.996
  393    HB3  ASN  77           HB3      ASN  77  -9.223 -13.461  -4.648
  394   HD21  ASN  77          HD21      ASN  77 -10.128 -13.411  -2.279
  395   HD22  ASN  77          HD22      ASN  77  -8.921 -14.043  -1.145
  396    H    THR  78           H        THR  78  -8.039 -10.061  -6.359
  397    HA   THR  78           HA       THR  78  -8.983 -11.295  -8.873
  398    HB   THR  78           HB       THR  78 -10.926  -9.820  -8.910
  399    HG1  THR  78           HG1      THR  78 -11.480  -8.597  -7.168
  400   HG21  THR  78          HG21      THR  78 -10.940 -11.305  -6.244
  401   HG22  THR  78          HG22      THR  78 -11.205 -12.072  -7.827
  402   HG23  THR  78          HG23      THR  78 -12.339 -10.845  -7.233
  403    HA   PRO  79           HA       PRO  79  -6.819  -7.747 -10.602
  404    HB2  PRO  79           HB2      PRO  79  -8.941  -7.529 -12.691
  405    HB3  PRO  79           HB3      PRO  79  -7.186  -7.803 -12.891
  406    HG2  PRO  79           HG2      PRO  79  -8.969  -9.823 -13.316
  407    HG3  PRO  79           HG3      PRO  79  -7.415 -10.126 -12.460
  408    HD2  PRO  79           HD2      PRO  79 -10.123  -9.592 -11.211
  409    HD3  PRO  79           HD3      PRO  79  -9.000 -10.951 -10.916
  410    H    LEU  80           H        LEU  80  -6.953  -5.504 -10.419
  411    HA   LEU  80           HA       LEU  80  -8.985  -4.224  -8.976
  412    HB2  LEU  80           HB2      LEU  80  -6.565  -3.521  -9.393
  413    HB3  LEU  80           HB3      LEU  80  -7.064  -3.021 -11.009
  414    HG   LEU  80           HG       LEU  80  -8.679  -1.405  -9.941
  415   HD11  LEU  80          HD11      LEU  80  -7.160  -2.224  -7.432
  416   HD12  LEU  80          HD12      LEU  80  -8.897  -2.471  -7.705
  417   HD13  LEU  80          HD13      LEU  80  -8.254  -0.828  -7.534
  418   HD21  LEU  80          HD21      LEU  80  -5.793  -1.050  -9.061
  419   HD22  LEU  80          HD22      LEU  80  -6.986   0.236  -9.329
  420   HD23  LEU  80          HD23      LEU  80  -6.403  -0.740 -10.691
  421    H    ALA  81           H        ALA  81 -10.931  -3.347  -9.507
  422    HA   ALA  81           HA       ALA  81 -12.174  -3.800 -12.016
  423    HB1  ALA  81           HB1      ALA  81 -12.906  -1.847  -9.806
  424    HB2  ALA  81           HB2      ALA  81 -13.422  -3.543  -9.941
  425    HB3  ALA  81           HB3      ALA  81 -13.969  -2.342 -11.127
  426    H    GLU  82           H        GLU  82 -12.665  -2.516 -13.789
  427    HA   GLU  82           HA       GLU  82 -10.503  -0.959 -14.635
  428    HB2  GLU  82           HB2      GLU  82 -11.651  -0.683 -16.715
  429    HB3  GLU  82           HB3      GLU  82 -11.879  -2.313 -16.081
  430    HG2  GLU  82           HG2      GLU  82 -14.153  -1.563 -15.216
  431    HG3  GLU  82           HG3      GLU  82 -13.917  -0.053 -16.101
  432    H    ASP  83           H        ASP  83 -13.394   0.360 -13.095
  433    HA   ASP  83           HA       ASP  83 -12.780   3.128 -13.827
  434    HB2  ASP  83           HB2      ASP  83 -14.469   3.697 -12.183
  435    HB3  ASP  83           HB3      ASP  83 -15.047   2.396 -13.226
  436    H    ARG  84           H        ARG  84 -12.018   0.951 -11.139
  437    HA   ARG  84           HA       ARG  84 -10.692   2.912  -9.437
  438    HB2  ARG  84           HB2      ARG  84 -10.386  -0.117  -9.463
  439    HB3  ARG  84           HB3      ARG  84  -9.978   0.987  -8.151
  440    HG2  ARG  84           HG2      ARG  84 -12.409   1.524  -7.889
  441    HG3  ARG  84           HG3      ARG  84 -12.784   0.407  -9.209
  442    HD2  ARG  84           HD2      ARG  84 -13.159  -0.845  -7.245
  443    HD3  ARG  84           HD3      ARG  84 -11.607  -1.422  -7.875
  444    HE   ARG  84           HE       ARG  84 -11.444   0.778  -5.919
  445   HH11  ARG  84          HH11      ARG  84 -11.245  -2.747  -6.188
  446   HH12  ARG  84          HH12      ARG  84 -10.790  -2.895  -4.517
  447   HH21  ARG  84          HH21      ARG  84 -10.724   0.556  -4.029
  448   HH22  ARG  84          HH22      ARG  84 -10.350  -1.002  -3.303
  449    H    LYS  85           H        LYS  85  -9.660   0.792 -12.071
  450    HA   LYS  85           HA       LYS  85  -6.820   1.160 -11.859
  451    HB2  LYS  85           HB2      LYS  85  -8.624   0.813 -14.283
  452    HB3  LYS  85           HB3      LYS  85  -6.867   0.900 -14.389
  453    HG2  LYS  85           HG2      LYS  85  -6.675  -1.084 -12.905
  454    HG3  LYS  85           HG3      LYS  85  -8.445  -1.233 -12.889
  455    HD2  LYS  85           HD2      LYS  85  -8.410  -1.466 -15.385
  456    HD3  LYS  85           HD3      LYS  85  -6.649  -1.299 -15.348
  457    HE2  LYS  85           HE2      LYS  85  -6.636  -3.321 -13.754
  458    HE3  LYS  85           HE3      LYS  85  -8.334  -3.553 -14.183
  459    HZ1  LYS  85           HZ1      LYS  85  -6.878  -4.866 -15.601
  460    HZ2  LYS  85           HZ2      LYS  85  -6.040  -3.531 -16.066
  461    HZ3  LYS  85           HZ3      LYS  85  -7.615  -3.705 -16.523
  462    H    ASN  86           H        ASN  86  -9.274   3.448 -12.657
  463    HA   ASN  86           HA       ASN  86  -7.301   5.347 -13.847
  464    HB2  ASN  86           HB2      ASN  86 -10.184   4.618 -14.557
  465    HB3  ASN  86           HB3      ASN  86  -9.354   6.026 -15.208
  466   HD21  ASN  86          HD21      ASN  86  -9.783   2.617 -15.623
  467   HD22  ASN  86          HD22      ASN  86  -8.473   2.430 -16.792
  468    H    VAL  87           H        VAL  87  -8.264   5.107 -10.921
  469    HA   VAL  87           HA       VAL  87  -9.503   7.792 -10.642
  470    HB   VAL  87           HB       VAL  87 -10.388   5.723  -9.480
  471   HG11  VAL  87          HG11      VAL  87  -9.444   5.012  -7.394
  472   HG12  VAL  87          HG12      VAL  87  -8.098   6.170  -7.536
  473   HG13  VAL  87          HG13      VAL  87  -8.240   4.811  -8.671
  474   HG21  VAL  87          HG21      VAL  87 -11.050   8.018  -8.860
  475   HG22  VAL  87          HG22      VAL  87  -9.680   8.112  -7.727
  476   HG23  VAL  87          HG23      VAL  87 -10.993   6.947  -7.454
  477    H    GLU  88           H        GLU  88  -8.416   9.533  -9.887
  478    HA   GLU  88           HA       GLU  88  -5.576   9.574  -9.724
  479    HB2  GLU  88           HB2      GLU  88  -7.384  11.406 -10.286
  480    HB3  GLU  88           HB3      GLU  88  -7.393  11.694  -8.541
  481    HG2  GLU  88           HG2      GLU  88  -4.899  12.071  -8.677
  482    HG3  GLU  88           HG3      GLU  88  -5.005  11.765 -10.420
  483    H    LEU  89           H        LEU  89  -4.173   9.841  -7.994
  484    HA   LEU  89           HA       LEU  89  -5.027   8.886  -5.327
  485    HB2  LEU  89           HB2      LEU  89  -2.345   9.598  -6.596
  486    HB3  LEU  89           HB3      LEU  89  -2.503   9.038  -4.945
  487    HG   LEU  89           HG       LEU  89  -3.308   7.420  -7.403
  488   HD11  LEU  89          HD11      LEU  89  -1.351   6.052  -6.912
  489   HD12  LEU  89          HD12      LEU  89  -0.943   7.081  -5.516
  490   HD13  LEU  89          HD13      LEU  89  -0.849   7.730  -7.158
  491   HD21  LEU  89          HD21      LEU  89  -3.403   5.512  -5.797
  492   HD22  LEU  89          HD22      LEU  89  -4.646   6.721  -5.468
  493   HD23  LEU  89          HD23      LEU  89  -3.185   6.650  -4.453
  494    H    LEU  90           H        LEU  90  -4.979  10.093  -3.435
  495    HA   LEU  90           HA       LEU  90  -5.248  12.967  -3.592
  496    HB2  LEU  90           HB2      LEU  90  -5.307  10.866  -1.416
  497    HB3  LEU  90           HB3      LEU  90  -5.262  12.559  -0.957
  498    HG   LEU  90           HG       LEU  90  -7.366  11.508  -2.883
  499   HD11  LEU  90          HD11      LEU  90  -8.891  11.454  -0.919
  500   HD12  LEU  90          HD12      LEU  90  -7.503  11.753   0.154
  501   HD13  LEU  90          HD13      LEU  90  -7.602  10.254  -0.803
  502   HD21  LEU  90          HD21      LEU  90  -7.051  13.966  -2.848
  503   HD22  LEU  90          HD22      LEU  90  -7.241  13.964  -1.083
  504   HD23  LEU  90          HD23      LEU  90  -8.598  13.508  -2.138
  505    H    GLY  91           H        GLY  91  -2.470  10.985  -2.861
  506    HA2  GLY  91           HA2      GLY  91  -0.729  13.302  -2.926
  507    HA3  GLY  91           HA3      GLY  91  -0.821  12.577  -1.317
  508    H    LYS  92           H        LYS  92   1.570  12.489  -2.124
  509    HA   LYS  92           HA       LYS  92   2.455  10.378  -3.839
  510    HB2  LYS  92           HB2      LYS  92   3.648  12.165  -1.723
  511    HB3  LYS  92           HB3      LYS  92   4.504  10.726  -2.142
  512    HG2  LYS  92           HG2      LYS  92   5.451  12.317  -3.510
  513    HG3  LYS  92           HG3      LYS  92   4.407  11.377  -4.578
  514    HD2  LYS  92           HD2      LYS  92   2.680  13.215  -4.402
  515    HD3  LYS  92           HD3      LYS  92   3.817  14.116  -3.367
  516    HE2  LYS  92           HE2      LYS  92   5.521  13.950  -5.216
  517    HE3  LYS  92           HE3      LYS  92   4.271  13.239  -6.251
  518    HZ1  LYS  92           HZ1      LYS  92   4.461  15.596  -6.623
  519    HZ2  LYS  92           HZ2      LYS  92   4.192  15.947  -5.027
  520    HZ3  LYS  92           HZ3      LYS  92   2.986  15.309  -5.956
  521    H    MET  93           H        MET  93   3.251   8.350  -3.461
  522    HA   MET  93           HA       MET  93   1.786   6.632  -1.694
  523    HB2  MET  93           HB2      MET  93   2.567   6.008  -3.986
  524    HB3  MET  93           HB3      MET  93   4.231   6.036  -3.399
  525    HG2  MET  93           HG2      MET  93   3.278   4.203  -1.684
  526    HG3  MET  93           HG3      MET  93   2.040   4.036  -2.913
  527    HE1  MET  93           HE1      MET  93   5.582   3.109  -1.747
  528    HE2  MET  93           HE2      MET  93   5.812   1.724  -2.844
  529    HE3  MET  93           HE3      MET  93   4.370   1.804  -1.810
  530    H    TYR  94           H        TYR  94   2.661   8.059   0.267
  531    HA   TYR  94           HA       TYR  94   5.216   7.728   1.294
  532    HB2  TYR  94           HB2      TYR  94   3.767   9.347   2.232
  533    HB3  TYR  94           HB3      TYR  94   2.546   8.189   2.576
  534    HD1  TYR  94           HD1      TYR  94   6.226   8.216   3.453
  535    HD2  TYR  94           HD2      TYR  94   2.161   8.223   4.881
  536    HE1  TYR  94           HE1      TYR  94   7.044   8.032   5.785
  537    HE2  TYR  94           HE2      TYR  94   2.984   8.058   7.226
  538    HH   TYR  94           HH       TYR  94   6.468   7.790   7.993
  539    H    LYS  95           H        LYS  95   2.431   5.499   2.011
  540    HA   LYS  95           HA       LYS  95   4.249   3.319   1.775
  541    HB2  LYS  95           HB2      LYS  95   3.954   2.274   4.052
  542    HB3  LYS  95           HB3      LYS  95   5.005   3.661   3.946
  543    HG2  LYS  95           HG2      LYS  95   3.130   5.103   4.811
  544    HG3  LYS  95           HG3      LYS  95   2.171   3.629   5.075
  545    HD2  LYS  95           HD2      LYS  95   3.831   2.778   6.659
  546    HD3  LYS  95           HD3      LYS  95   4.979   4.027   6.176
  547    HE2  LYS  95           HE2      LYS  95   3.223   5.736   6.955
  548    HE3  LYS  95           HE3      LYS  95   2.438   4.387   7.800
  549    HZ1  LYS  95           HZ1      LYS  95   5.298   5.123   8.181
  550    HZ2  LYS  95           HZ2      LYS  95   4.388   4.124   9.138
  551    HZ3  LYS  95           HZ3      LYS  95   4.073   5.722   9.112
  552    H    THR  96           H        THR  96   3.346   1.181   2.211
  553    HA   THR  96           HA       THR  96   0.373   0.932   1.884
  554    HB   THR  96           HB       THR  96   2.444  -0.667   0.320
  555    HG1  THR  96           HG1      THR  96   2.128   1.575  -0.094
  556   HG21  THR  96          HG21      THR  96   0.579  -1.403  -1.068
  557   HG22  THR  96          HG22      THR  96  -0.572  -0.480  -0.086
  558   HG23  THR  96          HG23      THR  96   0.271  -1.886   0.591
  559    H    TYR  97           H        TYR  97  -0.456  -0.943   2.742
  560    HA   TYR  97           HA       TYR  97   1.366  -2.768   4.276
  561    HB2  TYR  97           HB2      TYR  97  -1.365  -1.802   5.230
  562    HB3  TYR  97           HB3      TYR  97  -0.350  -2.983   5.983
  563    HD1  TYR  97           HD1      TYR  97  -0.724   0.634   5.258
  564    HD2  TYR  97           HD2      TYR  97   1.619  -2.403   7.218
  565    HE1  TYR  97           HE1      TYR  97   0.423   2.378   6.642
  566    HE2  TYR  97           HE2      TYR  97   2.733  -0.677   8.584
  567    HH   TYR  97           HH       TYR  97   2.531   1.491   9.343
  568    H    PHE  98           H        PHE  98   0.754  -4.923   4.418
  569    HA   PHE  98           HA       PHE  98  -1.340  -5.914   2.521
  570    HB2  PHE  98           HB2      PHE  98   1.572  -6.683   2.824
  571    HB3  PHE  98           HB3      PHE  98   0.418  -7.616   1.902
  572    HD1  PHE  98           HD1      PHE  98   2.172  -4.295   2.024
  573    HD2  PHE  98           HD2      PHE  98  -0.062  -7.122  -0.332
  574    HE1  PHE  98           HE1      PHE  98   2.726  -3.024  -0.047
  575    HE2  PHE  98           HE2      PHE  98   0.554  -5.890  -2.403
  576    HZ   PHE  98           HZ       PHE  98   1.968  -3.861  -2.255
  577    H    PHE  99           H        PHE  99  -2.226  -7.874   2.955
  578    HA   PHE  99           HA       PHE  99  -1.857  -9.006   5.709
  579    HB2  PHE  99           HB2      PHE  99  -4.473  -8.469   4.245
  580    HB3  PHE  99           HB3      PHE  99  -4.286  -8.981   5.907
  581    HD1  PHE  99           HD1      PHE  99  -3.995  -6.186   3.529
  582    HD2  PHE  99           HD2      PHE  99  -3.749  -7.293   7.683
  583    HE1  PHE  99           HE1      PHE  99  -3.777  -3.831   4.127
  584    HE2  PHE  99           HE2      PHE  99  -3.603  -4.889   8.289
  585    HZ   PHE  99           HZ       PHE  99  -3.498  -3.158   6.528
  586    H    LYS 100           H        LYS 100  -1.835 -11.189   5.823
  587    HA   LYS 100           HA       LYS 100  -2.130 -12.816   3.394
  588    HB2  LYS 100           HB2      LYS 100  -1.652 -13.708   6.254
  589    HB3  LYS 100           HB3      LYS 100  -1.733 -14.750   4.825
  590    HG2  LYS 100           HG2      LYS 100   0.457 -14.570   4.986
  591    HG3  LYS 100           HG3      LYS 100   0.117 -13.297   3.815
  592    HD2  LYS 100           HD2      LYS 100   0.602 -11.568   5.332
  593    HD3  LYS 100           HD3      LYS 100   0.381 -12.594   6.744
  594    HE2  LYS 100           HE2      LYS 100   2.651 -12.952   4.754
  595    HE3  LYS 100           HE3      LYS 100   2.771 -12.053   6.277
  596    HZ1  LYS 100           HZ1      LYS 100   3.529 -14.259   6.640
  597    HZ2  LYS 100           HZ2      LYS 100   2.197 -14.939   5.995
  598    HZ3  LYS 100           HZ3      LYS 100   2.091 -14.110   7.436
  599    H    LYS 101           H        LYS 101  -3.408 -14.722   3.354
  600    HA   LYS 101           HA       LYS 101  -6.199 -14.388   3.348
  601    HB2  LYS 101           HB2      LYS 101  -4.486 -16.868   3.619
  602    HB3  LYS 101           HB3      LYS 101  -6.231 -16.925   3.332
  603    HG2  LYS 101           HG2      LYS 101  -6.023 -15.901   1.177
  604    HG3  LYS 101           HG3      LYS 101  -4.357 -15.397   1.477
  605    HD2  LYS 101           HD2      LYS 101  -3.654 -17.790   1.575
  606    HD3  LYS 101           HD3      LYS 101  -5.310 -18.268   1.142
  607    HE2  LYS 101           HE2      LYS 101  -5.122 -17.012  -0.985
  608    HE3  LYS 101           HE3      LYS 101  -3.508 -16.447  -0.533
  609    HZ1  LYS 101           HZ1      LYS 101  -4.204 -19.315  -0.927
  610    HZ2  LYS 101           HZ2      LYS 101  -2.718 -18.711  -0.575
  611    HZ3  LYS 101           HZ3      LYS 101  -3.386 -18.382  -2.007
  612    H    GLY 102           H        GLY 102  -7.237 -13.539   5.041
  613    HA2  GLY 102           HA2      GLY 102  -8.650 -13.962   6.873
  614    HA3  GLY 102           HA3      GLY 102  -7.544 -15.170   7.502
  615    H    GLU 103           H        GLU 103  -5.580 -12.505   6.911
  616    HA   GLU 103           HA       GLU 103  -5.394 -11.841   9.746
  617    HB2  GLU 103           HB2      GLU 103  -4.030 -10.783   7.248
  618    HB3  GLU 103           HB3      GLU 103  -3.737 -10.100   8.845
  619    HG2  GLU 103           HG2      GLU 103  -3.122 -12.431   9.643
  620    HG3  GLU 103           HG3      GLU 103  -3.152 -12.940   7.951
  621    H    SER 104           H        SER 104  -5.404  -9.696  10.624
  622    HA   SER 104           HA       SER 104  -6.949  -7.568   9.261
  623    HB2  SER 104           HB2      SER 104  -8.303  -7.173  11.358
  624    HB3  SER 104           HB3      SER 104  -8.736  -8.566  10.390
  625    HG   SER 104           HG       SER 104  -7.788  -9.922  11.852
  626    H    LYS 105           H        LYS 105  -4.150  -8.269  10.695
  627    HA   LYS 105           HA       LYS 105  -3.586  -5.376  10.776
  628    HB2  LYS 105           HB2      LYS 105  -3.809  -5.949  13.148
  629    HB3  LYS 105           HB3      LYS 105  -2.666  -7.295  12.956
  630    HG2  LYS 105           HG2      LYS 105  -0.840  -5.839  12.684
  631    HG3  LYS 105           HG3      LYS 105  -1.841  -4.428  12.391
  632    HD2  LYS 105           HD2      LYS 105  -0.932  -4.293  14.636
  633    HD3  LYS 105           HD3      LYS 105  -2.677  -4.542  14.753
  634    HE2  LYS 105           HE2      LYS 105  -2.357  -6.927  15.166
  635    HE3  LYS 105           HE3      LYS 105  -0.604  -6.756  14.910
  636    HZ1  LYS 105           HZ1      LYS 105  -1.136  -6.786  17.277
  637    HZ2  LYS 105           HZ2      LYS 105  -2.133  -5.481  17.121
  638    HZ3  LYS 105           HZ3      LYS 105  -0.508  -5.340  16.858
  639    H    SER 106           H        SER 106  -1.710  -4.970   9.671
  640    HA   SER 106           HA       SER 106  -1.126  -6.911   7.703
  641    HB2  SER 106           HB2      SER 106   0.432  -5.373   6.764
  642    HB3  SER 106           HB3      SER 106  -0.878  -4.434   7.492
  643    HG   SER 106           HG       SER 106   1.783  -4.828   8.470
  644    H    SER 107           H        SER 107   0.857  -7.847   6.999
  645    HA   SER 107           HA       SER 107   2.955  -8.274   9.113
  646    HB2  SER 107           HB2      SER 107   1.649 -10.314   8.892
  647    HB3  SER 107           HB3      SER 107   1.843 -10.292   7.133
  648    HG   SER 107           HG       SER 107   3.328 -11.638   8.588
  649    H    TYR 108           H        TYR 108   2.316  -7.166   5.946
  650    HA   TYR 108           HA       TYR 108   5.222  -6.769   5.550
  651    HB2  TYR 108           HB2      TYR 108   4.419  -8.697   4.120
  652    HB3  TYR 108           HB3      TYR 108   3.417  -7.574   3.240
  653    HD1  TYR 108           HD1      TYR 108   6.856  -8.229   4.317
  654    HD2  TYR 108           HD2      TYR 108   4.429  -6.402   1.298
  655    HE1  TYR 108           HE1      TYR 108   8.871  -8.059   2.811
  656    HE2  TYR 108           HE2      TYR 108   6.476  -6.203  -0.185
  657    HH   TYR 108           HH       TYR 108   8.716  -6.632  -0.420
  658    H    VAL 109           H        VAL 109   5.747  -4.825   4.818
  659    HA   VAL 109           HA       VAL 109   3.725  -2.932   3.790
  660    HB   VAL 109           HB       VAL 109   3.463  -2.392   5.908
  661   HG11  VAL 109          HG11      VAL 109   4.688  -3.806   7.160
  662   HG12  VAL 109          HG12      VAL 109   5.313  -2.237   7.674
  663   HG13  VAL 109          HG13      VAL 109   6.212  -3.232   6.492
  664   HG21  VAL 109          HG21      VAL 109   4.482  -0.390   6.709
  665   HG22  VAL 109          HG22      VAL 109   4.118  -0.260   4.996
  666   HG23  VAL 109          HG23      VAL 109   5.790  -0.550   5.533
  667    H    ILE 110           H        ILE 110   4.558  -1.049   2.863
  668    HA   ILE 110           HA       ILE 110   7.393  -1.276   1.933
  669    HB   ILE 110           HB       ILE 110   4.953  -1.003   0.209
  670   HG12  ILE 110          HG12      ILE 110   6.331  -3.537   1.058
  671   HG13  ILE 110          HG13      ILE 110   4.648  -3.171   1.004
  672   HG21  ILE 110          HG21      ILE 110   7.805  -1.731  -0.631
  673   HG22  ILE 110          HG22      ILE 110   7.123  -0.101  -0.734
  674   HG23  ILE 110          HG23      ILE 110   6.418  -1.386  -1.687
  675   HD11  ILE 110          HD11      ILE 110   4.975  -4.727  -0.693
  676   HD12  ILE 110          HD12      ILE 110   6.465  -3.938  -1.246
  677   HD13  ILE 110          HD13      ILE 110   4.865  -3.188  -1.566
  678    H    ASN 111           H        ASN 111   8.326   0.625   1.485
  679    HA   ASN 111           HA       ASN 111   6.813   3.107   2.168
  680    HB2  ASN 111           HB2      ASN 111   9.809   2.532   2.088
  681    HB3  ASN 111           HB3      ASN 111   9.029   3.959   2.774
  682   HD21  ASN 111          HD21      ASN 111   7.491   3.516   4.658
  683   HD22  ASN 111          HD22      ASN 111   7.920   2.194   5.724
  684    H    GLY 112           H        GLY 112   7.306   5.086   0.980
  685    HA2  GLY 112           HA2      GLY 112   8.699   4.901  -1.615
  686    HA3  GLY 112           HA3      GLY 112   6.942   5.052  -1.683
  687    HA   PRO 113           HA       PRO 113   8.633   9.419  -1.544
  688    HB2  PRO 113           HB2      PRO 113   6.932  10.434  -3.415
  689    HB3  PRO 113           HB3      PRO 113   8.456   9.608  -3.856
  690    HG2  PRO 113           HG2      PRO 113   5.660   8.422  -3.765
  691    HG3  PRO 113           HG3      PRO 113   6.856   8.309  -5.090
  692    HD2  PRO 113           HD2      PRO 113   6.563   6.328  -3.280
  693    HD3  PRO 113           HD3      PRO 113   8.187   6.765  -3.889
  694    H    GLY 114           H        GLY 114   7.825  10.710  -0.107
  695    HA2  GLY 114           HA2      GLY 114   5.888  12.035   0.680
  696    HA3  GLY 114           HA3      GLY 114   5.046  10.501   0.905
  697    H    LYS 115           H        LYS 115   5.554  12.348   2.971
  698    HA   LYS 115           HA       LYS 115   7.449  10.818   4.750
  699    HB2  LYS 115           HB2      LYS 115   8.330  12.939   3.553
  700    HB3  LYS 115           HB3      LYS 115   7.319  13.840   4.693
  701    HG2  LYS 115           HG2      LYS 115   8.598  12.772   6.591
  702    HG3  LYS 115           HG3      LYS 115   9.544  11.869   5.407
  703    HD2  LYS 115           HD2      LYS 115  10.882  13.725   6.100
  704    HD3  LYS 115           HD3      LYS 115  10.341  14.058   4.451
  705    HE2  LYS 115           HE2      LYS 115   8.447  15.448   5.497
  706    HE3  LYS 115           HE3      LYS 115   9.265  15.245   7.052
  707    HZ1  LYS 115           HZ1      LYS 115  10.336  16.557   4.628
  708    HZ2  LYS 115           HZ2      LYS 115  11.253  16.292   5.965
  709    HZ3  LYS 115           HZ3      LYS 115   9.953  17.308   6.026
  710    H    THR 116           H        THR 116   4.302  12.054   4.496
  711    HA   THR 116           HA       THR 116   3.642  11.054   7.081
  712    HB   THR 116           HB       THR 116   4.455  13.210   7.912
  713    HG1  THR 116           HG1      THR 116   2.480  12.262   8.716
  714   HG21  THR 116          HG21      THR 116   2.413  14.554   6.090
  715   HG22  THR 116          HG22      THR 116   4.180  14.604   5.872
  716   HG23  THR 116          HG23      THR 116   3.444  15.326   7.310
  717    H    ASN 117           H        ASN 117   1.359  10.767   7.304
  718    HA   ASN 117           HA       ASN 117  -0.216  11.034   4.852
  719    HB2  ASN 117           HB2      ASN 117  -0.906  10.149   7.688
  720    HB3  ASN 117           HB3      ASN 117  -2.000  10.087   6.299
  721   HD21  ASN 117          HD21      ASN 117  -0.908   8.987   4.262
  722   HD22  ASN 117          HD22      ASN 117   0.056   7.560   4.638
  723    H    GLU 118           H        GLU 118   0.374  13.035   7.679
  724    HA   GLU 118           HA       GLU 118  -2.096  14.558   7.503
  725    HB2  GLU 118           HB2      GLU 118   0.399  15.011   9.181
  726    HB3  GLU 118           HB3      GLU 118  -1.146  15.860   9.338
  727    HG2  GLU 118           HG2      GLU 118  -2.261  13.682   9.837
  728    HG3  GLU 118           HG3      GLU 118  -0.681  12.894   9.797
  729    H    TYR 119           H        TYR 119  -1.756  15.121   5.187
  730    HA   TYR 119           HA       TYR 119  -1.267  16.624   3.522
  731    HB2  TYR 119           HB2      TYR 119  -2.171  18.292   5.865
  732    HB3  TYR 119           HB3      TYR 119  -1.943  18.983   4.267
  733    HD1  TYR 119           HD1      TYR 119  -3.979  16.537   6.191
  734    HD2  TYR 119           HD2      TYR 119  -3.425  18.577   2.433
  735    HE1  TYR 119           HE1      TYR 119  -6.215  15.742   5.430
  736    HE2  TYR 119           HE2      TYR 119  -5.666  17.810   1.685
  737    HH   TYR 119           HH       TYR 119  -7.802  15.825   3.762
  738    H    ALA 120           H        ALA 120   1.073  15.798   3.997
  739    HA   ALA 120           HA       ALA 120   3.306  16.125   4.174
  740    HB1  ALA 120           HB1      ALA 120   2.673  16.586   1.860
  741    HB2  ALA 120           HB2      ALA 120   4.127  17.478   2.334
  742    HB3  ALA 120           HB3      ALA 120   2.568  18.323   2.222
  743    H    TYR 121           H        TYR 121   2.369  17.215   6.520
  744    HA   TYR 121           HA       TYR 121   4.794  18.777   7.060
  745    HB2  TYR 121           HB2      TYR 121   3.030  20.500   6.777
  746    HB3  TYR 121           HB3      TYR 121   2.114  19.771   8.088
  747    HD1  TYR 121           HD1      TYR 121   5.316  21.461   7.194
  748    HD2  TYR 121           HD2      TYR 121   2.731  20.197  10.404
  749    HE1  TYR 121           HE1      TYR 121   6.670  22.787   8.810
  750    HE2  TYR 121           HE2      TYR 121   4.081  21.523  12.018
  751    HH   TYR 121           HH       TYR 121   5.843  22.922  12.306
  752    H1   ACE   6           H1       ACE   6  18.848  -6.460  -9.445
  753    H2   ACE   6           H2       ACE   6  17.475  -6.792 -10.532
  754    H3   ACE   6           H3       ACE   6  18.187  -5.169 -10.475
  755    H    THR   7           H        THR   7  18.319  -4.353  -8.042
  756    HA   THR   7           HA       THR   7  15.588  -3.960  -7.235
  757    HB   THR   7           HB       THR   7  15.962  -6.155  -6.145
  758    HG1  THR   7           HG1      THR   7  15.013  -5.577  -4.351
  759   HG21  THR   7          HG21      THR   7  17.349  -6.377  -4.169
  760   HG22  THR   7          HG22      THR   7  18.373  -5.962  -5.554
  761   HG23  THR   7          HG23      THR   7  17.960  -4.723  -4.347
  762    H    THR   8           H        THR   8  15.365  -2.171  -5.817
  763    HA   THR   8           HA       THR   8  17.620  -0.828  -4.649
  764    HB   THR   8           HB       THR   8  18.178  -0.296  -6.924
  765    HG1  THR   8           HG1      THR   8  17.477   2.177  -6.445
  766   HG21  THR   8          HG21      THR   8  16.852   1.135  -8.345
  767   HG22  THR   8          HG22      THR   8  15.531   1.183  -7.157
  768   HG23  THR   8          HG23      THR   8  15.944  -0.335  -7.988
  769    HA   PRO   9           HA       PRO   9  14.048   2.156  -4.087
  770    HB2  PRO   9           HB2      PRO   9  11.508   1.791  -4.917
  771    HB3  PRO   9           HB3      PRO   9  12.828   1.820  -6.140
  772    HG2  PRO   9           HG2      PRO   9  11.670  -0.659  -4.862
  773    HG3  PRO   9           HG3      PRO   9  11.756  -0.228  -6.601
  774    HD2  PRO   9           HD2      PRO   9  13.713  -1.657  -5.334
  775    HD3  PRO   9           HD3      PRO   9  14.058  -0.550  -6.697
  776    H    ASP  10           H        ASP  10  14.269  -0.537  -2.809
  777    HA   ASP  10           HA       ASP  10  13.866  -1.684  -0.934
  778    HB2  ASP  10           HB2      ASP  10  12.269   0.636   0.185
  779    HB3  ASP  10           HB3      ASP  10  13.053  -0.691   1.042
  780    H2   TYS  11           H2       TYS  11  12.803  -3.352  -1.616
  781    HA   TYS  11           HA       TYS  11  10.173  -3.139  -2.913
  782    HB2  TYS  11           HB2      TYS  11  12.598  -4.810  -3.237
  783    HB3  TYS  11           HB3      TYS  11  11.144  -5.789  -3.209
  784    HD1  TYS  11           HD1      TYS  11   9.122  -4.954  -4.487
  785    HD2  TYS  11           HD2      TYS  11  13.104  -3.663  -5.316
  786    HE1  TYS  11           HE1      TYS  11   8.318  -3.860  -6.414
  787    HE2  TYS  11           HE2      TYS  11  12.317  -2.530  -7.339
  788    H    GLY  12           H        GLY  12  10.297  -2.878  -0.382
  789    HA2  GLY  12           HA2      GLY  12   8.482  -3.012   1.088
  790    HA3  GLY  12           HA3      GLY  12   8.087  -4.603   0.456
  791    H    HIS  13           H        HIS  13   8.030  -4.311   3.265
  792    HA   HIS  13           HA       HIS  13  10.192  -6.144   4.047
  793    HB2  HIS  13           HB2      HIS  13  10.754  -4.865   6.014
  794    HB3  HIS  13           HB3      HIS  13  11.214  -4.003   4.546
  795    HD1  HIS  13           HD1      HIS  13   9.828  -1.733   3.951
  796    HD2  HIS  13           HD2      HIS  13   8.616  -3.758   7.451
  797    HE1  HIS  13           HE1      HIS  13   7.905  -0.353   5.022
  798    HE2  HIS  13           HE2      HIS  13   7.667  -1.319   7.439
  799    H2   TYS  14           H2       TYS  14   9.810  -7.417   5.798
  800    HA   TYS  14           HA       TYS  14   7.014  -7.548   6.740
  801    HB2  TYS  14           HB2      TYS  14   9.424  -9.378   7.093
  802    HB3  TYS  14           HB3      TYS  14   7.931  -9.631   7.949
  803    HD1  TYS  14           HD1      TYS  14   9.370  -9.554   4.426
  804    HD2  TYS  14           HD2      TYS  14   5.920 -10.526   6.869
  805    HE1  TYS  14           HE1      TYS  14   8.553 -11.008   2.719
  806    HE2  TYS  14           HE2      TYS  14   5.141 -12.012   5.119
  807    H    ASP  15           H        ASP  15   6.358  -6.315   8.301
  808    HA   ASP  15           HA       ASP  15   8.378  -5.140  10.108
  809    HB2  ASP  15           HB2      ASP  15   7.014  -3.366  10.374
  810    HB3  ASP  15           HB3      ASP  15   6.596  -3.863   8.761
  811    H    ASP  16           H        ASP  16   8.030  -4.723  12.326
  812    HA   ASP  16           HA       ASP  16   6.081  -6.419  13.804
  813    HB2  ASP  16           HB2      ASP  16   9.040  -6.067  14.371
  814    HB3  ASP  16           HB3      ASP  16   7.909  -6.767  15.529
  815    H    LYS  17           H        LYS  17   5.897  -3.618  13.035
  816    HA   LYS  17           HA       LYS  17   5.286  -2.281  15.504
  817    HB2  LYS  17           HB2      LYS  17   7.016  -0.520  15.524
  818    HB3  LYS  17           HB3      LYS  17   7.699  -2.109  15.819
  819    HG2  LYS  17           HG2      LYS  17   8.262  -2.133  13.265
  820    HG3  LYS  17           HG3      LYS  17   7.923  -0.399  13.315
  821    HD2  LYS  17           HD2      LYS  17   9.690  -0.078  14.994
  822    HD3  LYS  17           HD3      LYS  17   9.924  -1.830  15.094
  823    HE2  LYS  17           HE2      LYS  17  10.345  -1.710  12.516
  824    HE3  LYS  17           HE3      LYS  17  10.561   0.026  12.773
  825    HZ1  LYS  17           HZ1      LYS  17  12.667  -1.169  12.913
  826    HZ2  LYS  17           HZ2      LYS  17  12.312  -0.527  14.378
  827    HZ3  LYS  17           HZ3      LYS  17  12.091  -2.149  14.095
  828    H    ASP  18           H        ASP  18   6.117  -1.862  12.085
  829    HA   ASP  18           HA       ASP  18   5.010   0.782  11.781
  830    HB2  ASP  18           HB2      ASP  18   5.490  -1.423   9.758
  831    HB3  ASP  18           HB3      ASP  18   5.069   0.236   9.358
  832    H    THR  19           H        THR  19   3.625  -2.426  11.664
  833    HA   THR  19           HA       THR  19   1.788  -2.467   9.847
  834    HB   THR  19           HB       THR  19   2.063  -4.435  11.210
  835    HG1  THR  19           HG1      THR  19   0.380  -4.408  10.122
  836   HG21  THR  19          HG21      THR  19   0.706  -3.024  13.489
  837   HG22  THR  19          HG22      THR  19   2.431  -3.484  13.407
  838   HG23  THR  19          HG23      THR  19   1.201  -4.742  13.387
  839    H    LEU  20           H        LEU  20  -0.349  -2.168   9.339
  840    HA   LEU  20           HA       LEU  20  -1.891  -0.156  10.878
  841    HB2  LEU  20           HB2      LEU  20  -1.620   0.461   8.507
  842    HB3  LEU  20           HB3      LEU  20  -2.134  -1.165   8.016
  843    HG   LEU  20           HG       LEU  20  -4.377  -0.712   9.037
  844   HD11  LEU  20          HD11      LEU  20  -3.251   2.111   9.364
  845   HD12  LEU  20          HD12      LEU  20  -3.847   1.052  10.664
  846   HD13  LEU  20          HD13      LEU  20  -4.971   1.692   9.463
  847   HD21  LEU  20          HD21      LEU  20  -3.889  -0.446   6.708
  848   HD22  LEU  20          HD22      LEU  20  -3.416   1.248   6.923
  849   HD23  LEU  20          HD23      LEU  20  -5.104   0.727   7.201
  850    H    ASP  21           H        ASP  21  -3.337  -0.962  12.120
  851    HA   ASP  21           HA       ASP  21  -4.488  -3.619  12.001
  852    HB2  ASP  21           HB2      ASP  21  -5.776  -2.710  13.969
  853    HB3  ASP  21           HB3      ASP  21  -4.035  -2.758  14.154
  854    H    LEU  22           H        LEU  22  -6.027  -4.104  10.730
  855    HA   LEU  22           HA       LEU  22  -8.168  -2.257   9.801
  856    HB2  LEU  22           HB2      LEU  22  -6.872  -4.795   8.856
  857    HB3  LEU  22           HB3      LEU  22  -8.600  -4.665   8.559
  858    HG   LEU  22           HG       LEU  22  -8.301  -2.630   7.276
  859   HD11  LEU  22          HD11      LEU  22  -5.350  -2.951   7.971
  860   HD12  LEU  22          HD12      LEU  22  -6.396  -1.561   8.317
  861   HD13  LEU  22          HD13      LEU  22  -5.976  -1.936   6.640
  862   HD21  LEU  22          HD21      LEU  22  -7.051  -3.640   5.419
  863   HD22  LEU  22          HD22      LEU  22  -8.031  -4.874   6.256
  864   HD23  LEU  22          HD23      LEU  22  -6.281  -4.788   6.540
  865    H    ASN  23           H        ASN  23  -8.025  -3.001  12.619
  866    HA   ASN  23           HA       ASN  23 -10.769  -3.834  12.905
  867    HB2  ASN  23           HB2      ASN  23 -10.455  -5.619  14.416
  868    HB3  ASN  23           HB3      ASN  23  -9.570  -6.037  12.957
  869   HD21  ASN  23          HD21      ASN  23  -7.126  -5.797  13.063
  870   HD22  ASN  23          HD22      ASN  23  -6.398  -6.037  14.644
  871    H    THR  24           H        THR  24 -11.677  -2.751  14.481
  872    HA   THR  24           HA       THR  24 -10.236  -1.407  16.656
  873    HB   THR  24           HB       THR  24  -9.519  -0.069  14.852
  874    HG1  THR  24           HG1      THR  24  -9.891   1.679  15.794
  875   HG21  THR  24          HG21      THR  24 -11.003   1.129  13.327
  876   HG22  THR  24          HG22      THR  24 -11.160  -0.614  13.118
  877   HG23  THR  24          HG23      THR  24 -12.418   0.291  14.000
  878    HA   PRO  25           HA       PRO  25 -14.775  -0.117  17.083
  879    HB2  PRO  25           HB2      PRO  25 -16.841  -1.475  15.997
  880    HB3  PRO  25           HB3      PRO  25 -15.800  -0.397  15.021
  881    HG2  PRO  25           HG2      PRO  25 -15.593  -3.416  15.297
  882    HG3  PRO  25           HG3      PRO  25 -15.577  -2.438  13.797
  883    HD2  PRO  25           HD2      PRO  25 -13.324  -3.315  15.056
  884    HD3  PRO  25           HD3      PRO  25 -13.387  -1.798  14.096
  885    H    VAL  26           H        VAL  26 -14.012  -0.789  19.114
  886    HA   VAL  26           HA       VAL  26 -15.848  -2.546  20.575
  887    HB   VAL  26           HB       VAL  26 -14.237  -4.195  19.904
  888   HG11  VAL  26          HG11      VAL  26 -12.021  -2.399  20.958
  889   HG12  VAL  26          HG12      VAL  26 -12.310  -2.849  19.260
  890   HG13  VAL  26          HG13      VAL  26 -11.836  -4.081  20.426
  891   HG21  VAL  26          HG21      VAL  26 -13.413  -5.065  21.967
  892   HG22  VAL  26          HG22      VAL  26 -14.959  -4.281  22.302
  893   HG23  VAL  26          HG23      VAL  26 -13.433  -3.471  22.736
  894    H    ASP  27           H        ASP  27 -15.938  -2.014  22.791
  895    HA   ASP  27           HA       ASP  27 -14.232   0.295  23.698
  896    HB2  ASP  27           HB2      ASP  27 -17.180  -0.264  24.100
  897    HB3  ASP  27           HB3      ASP  27 -16.267   0.739  25.216
  898    H    LYS  28           H        LYS  28 -15.274  -2.935  24.396
  899    HA   LYS  28           HA       LYS  28 -13.178  -3.155  26.447
  900    HB2  LYS  28           HB2      LYS  28 -15.285  -2.611  27.721
  901    HB3  LYS  28           HB3      LYS  28 -16.040  -4.017  27.004
  902    HG2  LYS  28           HG2      LYS  28 -15.456  -4.711  29.130
  903    HG3  LYS  28           HG3      LYS  28 -14.213  -5.441  28.118
  904    HD2  LYS  28           HD2      LYS  28 -12.592  -3.719  28.820
  905    HD3  LYS  28           HD3      LYS  28 -13.878  -2.828  29.670
  906    HE2  LYS  28           HE2      LYS  28 -14.276  -4.876  31.093
  907    HE3  LYS  28           HE3      LYS  28 -12.860  -5.625  30.345
  908    HZ1  LYS  28           HZ1      LYS  28 -12.302  -4.561  32.454
  909    HZ2  LYS  28           HZ2      LYS  28 -12.794  -3.086  31.916
  910    HZ3  LYS  28           HZ3      LYS  28 -11.506  -3.829  31.237
  911    HN1  NH2  29           HN1      NH2  29 -12.565  -6.082  24.585
  912    HN2  NH2  29           HN2      NH2  29 -11.956  -4.561  25.214
  Start of MODEL   11
    1    H1   ASN  31           H1       ASN  31  11.686  17.177 -13.682
    2    H2   ASN  31           H2       ASN  31  11.986  18.790 -13.512
    3    H3   ASN  31           H3       ASN  31  10.524  18.176 -13.099
    4    HA   ASN  31           HA       ASN  31  13.079  17.557 -11.801
    5    HB2  ASN  31           HB2      ASN  31  10.752  19.155 -10.623
    6    HB3  ASN  31           HB3      ASN  31  12.253  18.720  -9.831
    7   HD21  ASN  31          HD21      ASN  31  12.405  21.071  -9.420
    8   HD22  ASN  31          HD22      ASN  31  13.125  22.068 -10.700
    9    H    SER  32           H        SER  32   9.560  17.385 -10.980
   10    HA   SER  32           HA       SER  32   9.521  14.525 -10.619
   11    HB2  SER  32           HB2      SER  32  10.956  15.331  -8.660
   12    HB3  SER  32           HB3      SER  32   9.527  16.181  -8.068
   13    HG   SER  32           HG       SER  32   9.910  14.084  -7.189
   14    H    GLY  33           H        GLY  33   7.426  13.943  -9.304
   15    HA2  GLY  33           HA2      GLY  33   5.212  15.869  -9.492
   16    HA3  GLY  33           HA3      GLY  33   5.246  14.643 -10.763
   17    H    LEU  34           H        LEU  34   3.152  14.074  -9.887
   18    HA   LEU  34           HA       LEU  34   3.273  12.149  -7.605
   19    HB2  LEU  34           HB2      LEU  34   1.016  14.077  -8.311
   20    HB3  LEU  34           HB3      LEU  34   0.925  12.832  -7.078
   21    HG   LEU  34           HG       LEU  34   2.753  15.259  -6.997
   22   HD11  LEU  34          HD11      LEU  34   1.252  15.989  -5.168
   23   HD12  LEU  34          HD12      LEU  34   0.210  14.575  -5.459
   24   HD13  LEU  34          HD13      LEU  34   0.383  15.819  -6.702
   25   HD21  LEU  34          HD21      LEU  34   3.764  13.406  -5.757
   26   HD22  LEU  34          HD22      LEU  34   2.223  13.077  -4.937
   27   HD23  LEU  34          HD23      LEU  34   3.121  14.584  -4.618
   28    HA   PRO  35           HA       PRO  35   0.991   9.608 -10.594
   29    HB2  PRO  35           HB2      PRO  35  -0.041   7.681  -9.045
   30    HB3  PRO  35           HB3      PRO  35   1.722   7.806  -9.257
   31    HG2  PRO  35           HG2      PRO  35   0.092   8.939  -6.949
   32    HG3  PRO  35           HG3      PRO  35   1.539   7.885  -6.864
   33    HD2  PRO  35           HD2      PRO  35   1.705  10.624  -6.693
   34    HD3  PRO  35           HD3      PRO  35   2.969   9.652  -7.498
   35    H    THR  36           H        THR  36  -1.283   9.004 -10.976
   36    HA   THR  36           HA       THR  36  -3.355  10.421  -9.430
   37    HB   THR  36           HB       THR  36  -2.307  12.102 -10.859
   38    HG1  THR  36           HG1      THR  36  -4.535  12.184 -10.278
   39   HG21  THR  36          HG21      THR  36  -2.669  12.139 -13.281
   40   HG22  THR  36          HG22      THR  36  -3.481  10.564 -13.215
   41   HG23  THR  36          HG23      THR  36  -1.750  10.705 -12.826
   42    H    THR  37           H        THR  37  -2.608   7.595 -11.020
   43    HA   THR  37           HA       THR  37  -5.491   7.016 -10.799
   44    HB   THR  37           HB       THR  37  -5.551   5.516 -12.676
   45    HG1  THR  37           HG1      THR  37  -3.143   6.669 -13.606
   46   HG21  THR  37          HG21      THR  37  -5.741   7.094 -14.488
   47   HG22  THR  37          HG22      THR  37  -4.769   8.293 -13.612
   48   HG23  THR  37          HG23      THR  37  -6.366   7.819 -12.991
   49    H    LEU  38           H        LEU  38  -5.807   5.444  -9.406
   50    HA   LEU  38           HA       LEU  38  -3.833   4.123  -8.021
   51    HB2  LEU  38           HB2      LEU  38  -6.473   4.359  -7.782
   52    HB3  LEU  38           HB3      LEU  38  -6.444   2.719  -8.422
   53    HG   LEU  38           HG       LEU  38  -5.272   3.775  -5.851
   54   HD11  LEU  38          HD11      LEU  38  -7.422   1.707  -6.447
   55   HD12  LEU  38          HD12      LEU  38  -7.673   3.355  -5.826
   56   HD13  LEU  38          HD13      LEU  38  -6.845   2.153  -4.827
   57   HD21  LEU  38          HD21      LEU  38  -4.667   1.402  -5.296
   58   HD22  LEU  38          HD22      LEU  38  -3.672   2.091  -6.573
   59   HD23  LEU  38          HD23      LEU  38  -4.990   0.965  -6.988
   60    H    GLY  39           H        GLY  39  -5.414   2.861 -10.977
   61    HA2  GLY  39           HA2      GLY  39  -4.454   0.248 -11.054
   62    HA3  GLY  39           HA3      GLY  39  -4.708   1.248 -12.482
   63    H    LYS  40           H        LYS  40  -2.531   3.157 -11.926
   64    HA   LYS  40           HA       LYS  40  -0.271   1.703 -13.083
   65    HB2  LYS  40           HB2      LYS  40  -0.661   4.516 -11.968
   66    HB3  LYS  40           HB3      LYS  40   0.868   3.979 -12.635
   67    HG2  LYS  40           HG2      LYS  40  -1.707   3.935 -14.268
   68    HG3  LYS  40           HG3      LYS  40  -0.649   5.340 -14.141
   69    HD2  LYS  40           HD2      LYS  40   1.260   3.908 -14.958
   70    HD3  LYS  40           HD3      LYS  40   0.084   2.630 -15.320
   71    HE2  LYS  40           HE2      LYS  40  -1.062   4.049 -16.932
   72    HE3  LYS  40           HE3      LYS  40  -0.175   5.478 -16.374
   73    HZ1  LYS  40           HZ1      LYS  40   1.869   4.456 -17.181
   74    HZ2  LYS  40           HZ2      LYS  40   1.054   3.189 -17.820
   75    HZ3  LYS  40           HZ3      LYS  40   0.844   4.742 -18.394
   76    H    LEU  41           H        LEU  41  -1.197   2.687  -9.860
   77    HA   LEU  41           HA       LEU  41   1.426   2.112  -8.651
   78    HB2  LEU  41           HB2      LEU  41   0.042   4.035  -8.038
   79    HB3  LEU  41           HB3      LEU  41  -1.263   2.993  -7.498
   80    HG   LEU  41           HG       LEU  41   1.453   2.565  -6.261
   81   HD11  LEU  41          HD11      LEU  41  -0.388   4.931  -5.669
   82   HD12  LEU  41          HD12      LEU  41   1.292   4.995  -6.264
   83   HD13  LEU  41          HD13      LEU  41   0.944   4.410  -4.630
   84   HD21  LEU  41          HD21      LEU  41  -0.506   1.194  -5.536
   85   HD22  LEU  41          HD22      LEU  41  -1.371   2.682  -5.099
   86   HD23  LEU  41          HD23      LEU  41   0.104   2.215  -4.224
   87    H    ASP  42           H        ASP  42  -1.882   0.726  -8.589
   88    HA   ASP  42           HA       ASP  42  -1.435  -1.546  -6.955
   89    HB2  ASP  42           HB2      ASP  42  -3.670  -0.955  -7.552
   90    HB3  ASP  42           HB3      ASP  42  -3.292  -0.896  -9.271
   91    H    GLU  43           H        GLU  43  -0.821  -1.208 -10.470
   92    HA   GLU  43           HA       GLU  43  -0.094  -3.952 -10.805
   93    HB2  GLU  43           HB2      GLU  43  -0.702  -2.220 -12.609
   94    HB3  GLU  43           HB3      GLU  43   0.934  -1.597 -12.440
   95    HG2  GLU  43           HG2      GLU  43   0.776  -3.125 -14.332
   96    HG3  GLU  43           HG3      GLU  43   1.809  -3.817 -13.087
   97    H    ARG  44           H        ARG  44   1.758  -1.128  -9.712
   98    HA   ARG  44           HA       ARG  44   4.304  -2.586  -9.725
   99    HB2  ARG  44           HB2      ARG  44   4.000  -0.036  -9.943
  100    HB3  ARG  44           HB3      ARG  44   3.753  -0.014  -8.191
  101    HG2  ARG  44           HG2      ARG  44   5.985  -0.904  -7.805
  102    HG3  ARG  44           HG3      ARG  44   6.152  -1.372  -9.496
  103    HD2  ARG  44           HD2      ARG  44   7.506   0.543  -9.243
  104    HD3  ARG  44           HD3      ARG  44   6.103   1.021 -10.172
  105    HE   ARG  44           HE       ARG  44   5.336   2.365  -8.406
  106   HH11  ARG  44          HH11      ARG  44   8.242   0.673  -7.222
  107   HH12  ARG  44          HH12      ARG  44   8.586   2.021  -6.154
  108   HH21  ARG  44          HH21      ARG  44   5.888   3.873  -6.851
  109   HH22  ARG  44          HH22      ARG  44   7.402   3.634  -5.939
  110    H    LEU  45           H        LEU  45   1.814  -1.787  -7.248
  111    HA   LEU  45           HA       LEU  45   3.175  -3.067  -5.059
  112    HB2  LEU  45           HB2      LEU  45   0.221  -2.605  -5.557
  113    HB3  LEU  45           HB3      LEU  45   0.902  -3.246  -4.069
  114    HG   LEU  45           HG       LEU  45   1.318  -0.457  -5.201
  115   HD11  LEU  45          HD11      LEU  45  -0.792  -0.846  -4.041
  116   HD12  LEU  45          HD12      LEU  45   0.277   0.166  -3.053
  117   HD13  LEU  45          HD13      LEU  45   0.061  -1.551  -2.654
  118   HD21  LEU  45          HD21      LEU  45   2.584  -0.036  -3.043
  119   HD22  LEU  45          HD22      LEU  45   3.448  -0.951  -4.265
  120   HD23  LEU  45          HD23      LEU  45   2.744  -1.784  -2.864
  121    H    ARG  46           H        ARG  46   0.968  -4.464  -7.492
  122    HA   ARG  46           HA       ARG  46   0.981  -7.173  -6.451
  123    HB2  ARG  46           HB2      ARG  46   0.535  -5.998  -9.236
  124    HB3  ARG  46           HB3      ARG  46   0.433  -7.729  -8.902
  125    HG2  ARG  46           HG2      ARG  46  -1.336  -7.365  -7.248
  126    HG3  ARG  46           HG3      ARG  46  -1.241  -5.619  -7.493
  127    HD2  ARG  46           HD2      ARG  46  -1.796  -6.136  -9.972
  128    HD3  ARG  46           HD3      ARG  46  -2.273  -7.744  -9.404
  129    HE   ARG  46           HE       ARG  46  -3.473  -5.093  -8.700
  130   HH11  ARG  46          HH11      ARG  46  -4.091  -8.599  -8.647
  131   HH12  ARG  46          HH12      ARG  46  -5.646  -8.302  -7.879
  132   HH21  ARG  46          HH21      ARG  46  -5.127  -4.945  -7.489
  133   HH22  ARG  46          HH22      ARG  46  -6.087  -6.352  -6.986
  134    H    ASN  47           H        ASN  47   3.369  -5.294  -8.125
  135    HA   ASN  47           HA       ASN  47   5.122  -7.681  -8.455
  136    HB2  ASN  47           HB2      ASN  47   5.281  -4.828  -9.435
  137    HB3  ASN  47           HB3      ASN  47   6.688  -5.868  -9.386
  138   HD21  ASN  47          HD21      ASN  47   3.603  -5.302 -11.011
  139   HD22  ASN  47          HD22      ASN  47   3.860  -6.535 -12.238
  140    H    TYR  48           H        TYR  48   4.962  -4.890  -6.188
  141    HA   TYR  48           HA       TYR  48   7.462  -5.234  -5.054
  142    HB2  TYR  48           HB2      TYR  48   4.837  -4.285  -3.955
  143    HB3  TYR  48           HB3      TYR  48   6.077  -4.649  -2.841
  144    HD1  TYR  48           HD1      TYR  48   5.131  -2.344  -5.583
  145    HD2  TYR  48           HD2      TYR  48   7.874  -3.187  -2.405
  146    HE1  TYR  48           HE1      TYR  48   5.849   0.033  -5.591
  147    HE2  TYR  48           HE2      TYR  48   8.629  -0.819  -2.443
  148    HH   TYR  48           HH       TYR  48   8.490   1.197  -3.514
  149    H    LEU  49           H        LEU  49   4.566  -7.113  -4.099
  150    HA   LEU  49           HA       LEU  49   5.968  -8.541  -2.053
  151    HB2  LEU  49           HB2      LEU  49   3.584  -9.349  -3.755
  152    HB3  LEU  49           HB3      LEU  49   4.151 -10.275  -2.357
  153    HG   LEU  49           HG       LEU  49   3.272  -7.396  -2.200
  154   HD11  LEU  49          HD11      LEU  49   1.753  -9.993  -1.726
  155   HD12  LEU  49          HD12      LEU  49   1.375  -8.732  -2.919
  156   HD13  LEU  49          HD13      LEU  49   1.172  -8.410  -1.188
  157   HD21  LEU  49          HD21      LEU  49   4.700  -8.106  -0.312
  158   HD22  LEU  49          HD22      LEU  49   3.589  -9.459   0.001
  159   HD23  LEU  49          HD23      LEU  49   3.041  -7.787   0.195
  160    H    LYS  50           H        LYS  50   5.620  -9.379  -5.542
  161    HA   LYS  50           HA       LYS  50   7.090 -11.862  -5.309
  162    HB2  LYS  50           HB2      LYS  50   6.968 -10.087  -7.763
  163    HB3  LYS  50           HB3      LYS  50   7.293 -11.825  -7.649
  164    HG2  LYS  50           HG2      LYS  50   4.966 -12.248  -6.969
  165    HG3  LYS  50           HG3      LYS  50   4.598 -10.519  -7.063
  166    HD2  LYS  50           HD2      LYS  50   5.561 -12.227  -9.399
  167    HD3  LYS  50           HD3      LYS  50   3.872 -11.800  -9.088
  168    HE2  LYS  50           HE2      LYS  50   4.382  -9.411  -9.362
  169    HE3  LYS  50           HE3      LYS  50   6.101  -9.764  -9.573
  170    HZ1  LYS  50           HZ1      LYS  50   5.060  -9.445 -11.695
  171    HZ2  LYS  50           HZ2      LYS  50   3.929 -10.574 -11.417
  172    HZ3  LYS  50           HZ3      LYS  50   5.516 -11.019 -11.595
  173    H    LYS  51           H        LYS  51   8.078  -8.543  -6.050
  174    HA   LYS  51           HA       LYS  51  10.891  -8.933  -6.505
  175    HB2  LYS  51           HB2      LYS  51   9.191  -6.639  -5.552
  176    HB3  LYS  51           HB3      LYS  51  10.926  -6.489  -5.745
  177    HG2  LYS  51           HG2      LYS  51   9.258  -7.463  -8.080
  178    HG3  LYS  51           HG3      LYS  51   9.279  -5.760  -7.646
  179    HD2  LYS  51           HD2      LYS  51  11.843  -5.859  -7.724
  180    HD3  LYS  51           HD3      LYS  51  11.652  -7.464  -8.485
  181    HE2  LYS  51           HE2      LYS  51  10.105  -6.352 -10.166
  182    HE3  LYS  51           HE3      LYS  51  10.515  -4.795  -9.437
  183    HZ1  LYS  51           HZ1      LYS  51  11.898  -5.183 -11.355
  184    HZ2  LYS  51           HZ2      LYS  51  12.868  -5.258 -10.043
  185    HZ3  LYS  51           HZ3      LYS  51  12.415  -6.639 -10.789
  186    H    GLY  52           H        GLY  52   9.043  -8.564  -3.490
  187    HA2  GLY  52           HA2      GLY  52  11.589  -8.140  -2.013
  188    HA3  GLY  52           HA3      GLY  52  10.011  -7.493  -1.671
  189    H    THR  53           H        THR  53   8.602 -10.196  -1.794
  190    HA   THR  53           HA       THR  53   9.278 -11.040   0.951
  191    HB   THR  53           HB       THR  53   7.301 -12.353   0.889
  192    HG1  THR  53           HG1      THR  53   6.921 -11.503  -1.829
  193   HG21  THR  53          HG21      THR  53   5.510 -10.701   0.272
  194   HG22  THR  53          HG22      THR  53   6.809  -9.573  -0.165
  195   HG23  THR  53          HG23      THR  53   6.689 -10.230   1.487
  196    H    LYS  54           H        LYS  54   9.159 -13.510   1.357
  197    HA   LYS  54           HA       LYS  54  10.906 -14.962  -0.530
  198    HB2  LYS  54           HB2      LYS  54   9.610 -15.990   2.024
  199    HB3  LYS  54           HB3      LYS  54  10.882 -16.751   1.094
  200    HG2  LYS  54           HG2      LYS  54  11.113 -14.158   2.671
  201    HG3  LYS  54           HG3      LYS  54  11.794 -15.735   3.083
  202    HD2  LYS  54           HD2      LYS  54  13.115 -15.623   0.920
  203    HD3  LYS  54           HD3      LYS  54  12.585 -13.935   0.764
  204    HE2  LYS  54           HE2      LYS  54  13.725 -13.271   2.759
  205    HE3  LYS  54           HE3      LYS  54  13.929 -14.948   3.287
  206    HZ1  LYS  54           HZ1      LYS  54  15.402 -15.319   1.417
  207    HZ2  LYS  54           HZ2      LYS  54  15.311 -13.739   0.955
  208    HZ3  LYS  54           HZ3      LYS  54  15.998 -14.150   2.392
  209    H    ASN  55           H        ASN  55   7.495 -14.862   0.338
  210    HA   ASN  55           HA       ASN  55   6.837 -16.095  -2.240
  211    HB2  ASN  55           HB2      ASN  55   6.823 -18.062  -0.760
  212    HB3  ASN  55           HB3      ASN  55   5.941 -17.165   0.480
  213   HD21  ASN  55          HD21      ASN  55   4.062 -18.408   0.591
  214   HD22  ASN  55          HD22      ASN  55   3.035 -18.702  -0.808
  215    H    SER  56           H        SER  56   5.569 -14.691  -3.177
  216    HA   SER  56           HA       SER  56   3.890 -12.789  -1.763
  217    HB2  SER  56           HB2      SER  56   5.131 -12.182  -3.710
  218    HB3  SER  56           HB3      SER  56   4.422 -13.459  -4.676
  219    HG   SER  56           HG       SER  56   2.656 -12.360  -4.950
  220    H    ALA  57           H        ALA  57   3.252 -16.026  -2.974
  221    HA   ALA  57           HA       ALA  57   0.579 -15.613  -3.834
  222    HB1  ALA  57           HB1      ALA  57   0.480 -18.089  -3.881
  223    HB2  ALA  57           HB2      ALA  57   2.019 -18.157  -3.007
  224    HB3  ALA  57           HB3      ALA  57   1.944 -17.448  -4.637
  225    H    GLN  58           H        GLN  58   1.564 -15.551  -0.582
  226    HA   GLN  58           HA       GLN  58  -0.808 -16.866   0.514
  227    HB2  GLN  58           HB2      GLN  58   0.255 -16.411   2.648
  228    HB3  GLN  58           HB3      GLN  58   1.394 -17.162   1.527
  229    HG2  GLN  58           HG2      GLN  58   2.338 -14.849   1.029
  230    HG3  GLN  58           HG3      GLN  58   1.286 -14.195   2.283
  231   HE21  GLN  58          HE21      GLN  58   4.363 -14.988   1.656
  232   HE22  GLN  58          HE22      GLN  58   4.819 -15.519   3.273
  233    H    PHE  59           H        PHE  59  -0.066 -13.647  -0.570
  234    HA   PHE  59           HA       PHE  59  -1.635 -12.309   1.510
  235    HB2  PHE  59           HB2      PHE  59  -0.196 -11.252  -0.916
  236    HB3  PHE  59           HB3      PHE  59  -1.021 -10.261   0.284
  237    HD1  PHE  59           HD1      PHE  59  -0.189 -10.177   2.670
  238    HD2  PHE  59           HD2      PHE  59   2.006 -12.226  -0.407
  239    HE1  PHE  59           HE1      PHE  59   1.817 -10.206   4.121
  240    HE2  PHE  59           HE2      PHE  59   3.995 -12.313   1.066
  241    HZ   PHE  59           HZ       PHE  59   3.920 -11.259   3.309
  242    H    GLU  60           H        GLU  60  -3.570 -11.156   1.270
  243    HA   GLU  60           HA       GLU  60  -5.279 -12.171  -0.978
  244    HB2  GLU  60           HB2      GLU  60  -7.110 -12.296   0.430
  245    HB3  GLU  60           HB3      GLU  60  -5.780 -13.130   1.236
  246    HG2  GLU  60           HG2      GLU  60  -5.500 -11.210   2.731
  247    HG3  GLU  60           HG3      GLU  60  -6.736 -10.300   1.870
  248    H    LYS  61           H        LYS  61  -4.319  -9.368   0.817
  249    HA   LYS  61           HA       LYS  61  -5.472  -7.518  -1.111
  250    HB2  LYS  61           HB2      LYS  61  -7.039  -6.428   0.319
  251    HB3  LYS  61           HB3      LYS  61  -7.383  -8.139   0.424
  252    HG2  LYS  61           HG2      LYS  61  -5.877  -8.132   2.550
  253    HG3  LYS  61           HG3      LYS  61  -6.002  -6.372   2.493
  254    HD2  LYS  61           HD2      LYS  61  -8.426  -6.478   2.722
  255    HD3  LYS  61           HD3      LYS  61  -8.378  -8.218   2.423
  256    HE2  LYS  61           HE2      LYS  61  -6.647  -7.992   4.553
  257    HE3  LYS  61           HE3      LYS  61  -7.797  -6.693   4.913
  258    HZ1  LYS  61           HZ1      LYS  61  -8.490  -9.544   4.433
  259    HZ2  LYS  61           HZ2      LYS  61  -9.575  -8.382   4.894
  260    HZ3  LYS  61           HZ3      LYS  61  -8.388  -8.871   5.906
  261    H    MET  62           H        MET  62  -5.324  -5.308  -0.186
  262    HA   MET  62           HA       MET  62  -2.903  -4.685   1.335
  263    HB2  MET  62           HB2      MET  62  -1.672  -3.639  -0.458
  264    HB3  MET  62           HB3      MET  62  -2.016  -5.316  -0.887
  265    HG2  MET  62           HG2      MET  62  -3.880  -4.576  -2.336
  266    HG3  MET  62           HG3      MET  62  -3.524  -2.891  -1.927
  267    HE1  MET  62           HE1      MET  62  -2.360  -3.036  -5.621
  268    HE2  MET  62           HE2      MET  62  -3.269  -2.112  -4.398
  269    HE3  MET  62           HE3      MET  62  -3.793  -3.752  -4.869
  270    H    VAL  63           H        VAL  63  -2.527  -2.404   1.616
  271    HA   VAL  63           HA       VAL  63  -4.684  -0.528   0.866
  272    HB   VAL  63           HB       VAL  63  -5.360  -1.706   2.996
  273   HG11  VAL  63          HG11      VAL  63  -4.184  -1.440   4.979
  274   HG12  VAL  63          HG12      VAL  63  -3.079  -0.225   4.273
  275   HG13  VAL  63          HG13      VAL  63  -2.986  -1.918   3.784
  276   HG21  VAL  63          HG21      VAL  63  -4.824   1.264   3.390
  277   HG22  VAL  63          HG22      VAL  63  -5.954   0.248   4.307
  278   HG23  VAL  63          HG23      VAL  63  -6.249   0.548   2.600
  279    H    ILE  64           H        ILE  64  -4.088   1.634   1.063
  280    HA   ILE  64           HA       ILE  64  -1.133   2.164   1.129
  281    HB   ILE  64           HB       ILE  64  -3.263   3.118  -0.814
  282   HG12  ILE  64          HG12      ILE  64  -0.984   1.524  -1.880
  283   HG13  ILE  64          HG13      ILE  64  -2.147   0.584  -0.972
  284   HG21  ILE  64          HG21      ILE  64  -0.258   3.604  -0.788
  285   HG22  ILE  64          HG22      ILE  64  -1.542   4.814  -0.592
  286   HG23  ILE  64          HG23      ILE  64  -1.330   4.012  -2.146
  287   HD11  ILE  64          HD11      ILE  64  -3.990   1.330  -2.365
  288   HD12  ILE  64          HD12      ILE  64  -2.707   0.623  -3.359
  289   HD13  ILE  64          HD13      ILE  64  -2.901   2.390  -3.292
  290    H    LEU  65           H        LEU  65  -0.524   4.006   2.117
  291    HA   LEU  65           HA       LEU  65  -2.553   6.081   2.877
  292    HB2  LEU  65           HB2      LEU  65  -0.038   5.146   4.334
  293    HB3  LEU  65           HB3      LEU  65  -0.950   6.582   4.764
  294    HG   LEU  65           HG       LEU  65  -1.899   3.682   4.907
  295   HD11  LEU  65          HD11      LEU  65  -1.904   3.973   7.296
  296   HD12  LEU  65          HD12      LEU  65  -1.551   5.710   7.154
  297   HD13  LEU  65          HD13      LEU  65  -0.323   4.514   6.714
  298   HD21  LEU  65          HD21      LEU  65  -3.859   5.002   4.361
  299   HD22  LEU  65          HD22      LEU  65  -3.431   6.222   5.586
  300   HD23  LEU  65          HD23      LEU  65  -3.900   4.584   6.081
  301    H    THR  66           H        THR  66  -2.172   8.044   2.010
  302    HA   THR  66           HA       THR  66   0.474   8.467   0.659
  303    HB   THR  66           HB       THR  66  -0.607   9.628  -1.106
  304    HG1  THR  66           HG1      THR  66  -2.217  10.703  -0.192
  305   HG21  THR  66          HG21      THR  66  -0.657   7.149  -1.294
  306   HG22  THR  66          HG22      THR  66  -1.969   7.954  -2.172
  307   HG23  THR  66          HG23      THR  66  -2.309   7.162  -0.619
  308    H    GLU  67           H        GLU  67   1.125  10.644   0.231
  309    HA   GLU  67           HA       GLU  67   0.682  12.616   2.260
  310    HB2  GLU  67           HB2      GLU  67   1.481  13.198  -0.589
  311    HB3  GLU  67           HB3      GLU  67   1.877  14.079   0.899
  312    HG2  GLU  67           HG2      GLU  67   3.100  11.854   1.608
  313    HG3  GLU  67           HG3      GLU  67   2.984  11.437  -0.086
  314    H    ASN  68           H        ASN  68  -0.440  14.741   1.851
  315    HA   ASN  68           HA       ASN  68  -2.384  15.831   1.826
  316    HB2  ASN  68           HB2      ASN  68  -2.861  14.548  -0.870
  317    HB3  ASN  68           HB3      ASN  68  -3.702  15.956  -0.245
  318   HD21  ASN  68          HD21      ASN  68  -1.391  15.183  -2.397
  319   HD22  ASN  68          HD22      ASN  68  -0.349  16.609  -2.219
  320    H    LYS  69           H        LYS  69  -2.252  13.365   3.129
  321    HA   LYS  69           HA       LYS  69  -3.471  11.944   4.392
  322    HB2  LYS  69           HB2      LYS  69  -5.526  14.166   4.137
  323    HB3  LYS  69           HB3      LYS  69  -5.385  12.995   5.457
  324    HG2  LYS  69           HG2      LYS  69  -3.068  13.859   5.921
  325    HG3  LYS  69           HG3      LYS  69  -3.333  15.138   4.733
  326    HD2  LYS  69           HD2      LYS  69  -5.022  14.721   7.225
  327    HD3  LYS  69           HD3      LYS  69  -3.657  15.841   7.082
  328    HE2  LYS  69           HE2      LYS  69  -4.793  17.080   5.292
  329    HE3  LYS  69           HE3      LYS  69  -6.170  15.964   5.371
  330    HZ1  LYS  69           HZ1      LYS  69  -5.270  17.757   7.562
  331    HZ2  LYS  69           HZ2      LYS  69  -6.493  16.674   7.703
  332    HZ3  LYS  69           HZ3      LYS  69  -6.637  17.939   6.667
  333    H    GLY  70           H        GLY  70  -3.759  11.240   1.574
  334    HA2  GLY  70           HA2      GLY  70  -6.450  10.130   1.307
  335    HA3  GLY  70           HA3      GLY  70  -5.072   9.811   0.263
  336    H    TYR  71           H        TYR  71  -7.004   7.995   1.181
  337    HA   TYR  71           HA       TYR  71  -5.296   5.825   2.249
  338    HB2  TYR  71           HB2      TYR  71  -6.450   6.521   4.238
  339    HB3  TYR  71           HB3      TYR  71  -7.968   6.708   3.384
  340    HD1  TYR  71           HD1      TYR  71  -9.172   4.627   2.486
  341    HD2  TYR  71           HD2      TYR  71  -6.020   4.438   5.439
  342    HE1  TYR  71           HE1      TYR  71  -9.993   2.402   3.243
  343    HE2  TYR  71           HE2      TYR  71  -6.888   2.271   6.216
  344    HH   TYR  71           HH       TYR  71  -8.643   0.818   6.123
  345    H    TYR  72           H        TYR  72  -5.604   3.984   1.049
  346    HA   TYR  72           HA       TYR  72  -8.054   3.655  -0.619
  347    HB2  TYR  72           HB2      TYR  72  -5.235   3.485  -1.756
  348    HB3  TYR  72           HB3      TYR  72  -6.733   3.216  -2.621
  349    HD1  TYR  72           HD1      TYR  72  -8.189   5.105  -3.266
  350    HD2  TYR  72           HD2      TYR  72  -4.444   5.745  -1.220
  351    HE1  TYR  72           HE1      TYR  72  -8.303   7.522  -3.817
  352    HE2  TYR  72           HE2      TYR  72  -4.577   8.181  -1.748
  353    HH   TYR  72           HH       TYR  72  -7.363   9.559  -3.524
  354    H    THR  73           H        THR  73  -8.571   1.471  -1.033
  355    HA   THR  73           HA       THR  73  -6.826  -0.625   0.180
  356    HB   THR  73           HB       THR  73  -8.476   0.234   1.821
  357    HG1  THR  73           HG1      THR  73  -9.163  -1.741   2.455
  358   HG21  THR  73          HG21      THR  73 -10.400   0.690   0.273
  359   HG22  THR  73          HG22      THR  73 -10.817  -0.294   1.683
  360   HG23  THR  73          HG23      THR  73 -10.619  -1.068   0.102
  361    H    VAL  74           H        VAL  74  -6.731  -2.517  -0.976
  362    HA   VAL  74           HA       VAL  74  -8.604  -2.965  -3.244
  363    HB   VAL  74           HB       VAL  74  -5.584  -2.763  -3.603
  364   HG11  VAL  74          HG11      VAL  74  -7.847  -3.213  -5.604
  365   HG12  VAL  74          HG12      VAL  74  -6.556  -4.363  -5.166
  366   HG13  VAL  74          HG13      VAL  74  -6.155  -2.897  -6.037
  367   HG21  VAL  74          HG21      VAL  74  -7.735  -0.823  -4.539
  368   HG22  VAL  74          HG22      VAL  74  -6.040  -0.809  -5.076
  369   HG23  VAL  74          HG23      VAL  74  -6.421  -0.483  -3.388
  370    H    TYR  75           H        TYR  75  -8.790  -5.155  -3.809
  371    HA   TYR  75           HA       TYR  75  -7.379  -7.079  -2.052
  372    HB2  TYR  75           HB2      TYR  75  -9.901  -7.160  -3.650
  373    HB3  TYR  75           HB3      TYR  75  -9.023  -8.658  -3.407
  374    HD1  TYR  75           HD1      TYR  75 -10.512  -5.770  -1.506
  375    HD2  TYR  75           HD2      TYR  75  -9.069  -9.833  -1.344
  376    HE1  TYR  75           HE1      TYR  75 -11.496  -6.039   0.761
  377    HE2  TYR  75           HE2      TYR  75 -10.053 -10.100   0.891
  378    HH   TYR  75           HH       TYR  75 -11.261  -9.136   2.558
  379    H    LEU  76           H        LEU  76  -6.280  -8.803  -2.725
  380    HA   LEU  76           HA       LEU  76  -4.956  -8.719  -5.406
  381    HB2  LEU  76           HB2      LEU  76  -4.032  -9.801  -2.711
  382    HB3  LEU  76           HB3      LEU  76  -3.133  -9.959  -4.207
  383    HG   LEU  76           HG       LEU  76  -3.863  -7.255  -2.982
  384   HD11  LEU  76          HD11      LEU  76  -1.520  -7.171  -2.261
  385   HD12  LEU  76          HD12      LEU  76  -1.276  -8.844  -2.809
  386   HD13  LEU  76          HD13      LEU  76  -2.390  -8.493  -1.465
  387   HD21  LEU  76          HD21      LEU  76  -3.391  -7.124  -5.388
  388   HD22  LEU  76          HD22      LEU  76  -1.919  -8.104  -5.168
  389   HD23  LEU  76          HD23      LEU  76  -2.023  -6.468  -4.489
  390    H    ASN  77           H        ASN  77  -6.930 -10.668  -3.266
  391    HA   ASN  77           HA       ASN  77  -6.818 -13.178  -4.619
  392    HB2  ASN  77           HB2      ASN  77  -9.026 -11.659  -3.168
  393    HB3  ASN  77           HB3      ASN  77  -9.313 -13.230  -3.893
  394   HD21  ASN  77          HD21      ASN  77  -9.790 -12.935  -1.278
  395   HD22  ASN  77          HD22      ASN  77  -8.596 -13.879  -0.379
  396    H    THR  78           H        THR  78  -7.819 -10.138  -5.903
  397    HA   THR  78           HA       THR  78  -9.187 -11.400  -8.199
  398    HB   THR  78           HB       THR  78 -10.932  -9.641  -8.061
  399    HG1  THR  78           HG1      THR  78 -11.135  -8.707  -5.880
  400   HG21  THR  78          HG21      THR  78 -10.836 -11.241  -5.462
  401   HG22  THR  78          HG22      THR  78 -11.270 -11.938  -7.040
  402   HG23  THR  78          HG23      THR  78 -12.267 -10.665  -6.335
  403    HA   PRO  79           HA       PRO  79  -7.069  -7.975 -10.410
  404    HB2  PRO  79           HB2      PRO  79  -9.304  -8.360 -12.373
  405    HB3  PRO  79           HB3      PRO  79  -7.540  -8.338 -12.665
  406    HG2  PRO  79           HG2      PRO  79  -8.934 -10.672 -12.752
  407    HG3  PRO  79           HG3      PRO  79  -7.309 -10.600 -11.985
  408    HD2  PRO  79           HD2      PRO  79  -9.999 -10.494 -10.609
  409    HD3  PRO  79           HD3      PRO  79  -8.561 -11.499 -10.237
  410    H    LEU  80           H        LEU  80  -7.524  -5.777 -10.065
  411    HA   LEU  80           HA       LEU  80 -10.098  -5.031  -8.968
  412    HB2  LEU  80           HB2      LEU  80  -9.248  -2.964  -8.480
  413    HB3  LEU  80           HB3      LEU  80  -7.890  -4.047  -8.251
  414    HG   LEU  80           HG       LEU  80  -8.342  -2.197 -10.640
  415   HD11  LEU  80          HD11      LEU  80  -7.808  -1.000  -8.556
  416   HD12  LEU  80          HD12      LEU  80  -6.476  -0.904  -9.717
  417   HD13  LEU  80          HD13      LEU  80  -6.370  -2.017  -8.338
  418   HD21  LEU  80          HD21      LEU  80  -5.934  -2.730 -11.160
  419   HD22  LEU  80          HD22      LEU  80  -7.019  -4.110 -11.383
  420   HD23  LEU  80          HD23      LEU  80  -5.992  -4.002  -9.933
  421    H    ALA  81           H        ALA  81 -11.701  -3.740  -9.801
  422    HA   ALA  81           HA       ALA  81 -12.279  -4.059 -12.556
  423    HB1  ALA  81           HB1      ALA  81 -13.627  -2.288 -10.473
  424    HB2  ALA  81           HB2      ALA  81 -13.937  -4.025 -10.716
  425    HB3  ALA  81           HB3      ALA  81 -14.344  -2.870 -11.993
  426    H    GLU  82           H        GLU  82 -12.901  -2.424 -14.136
  427    HA   GLU  82           HA       GLU  82 -10.734  -0.777 -14.727
  428    HB2  GLU  82           HB2      GLU  82 -11.958  -0.005 -16.656
  429    HB3  GLU  82           HB3      GLU  82 -12.082  -1.747 -16.442
  430    HG2  GLU  82           HG2      GLU  82 -14.374  -1.547 -15.616
  431    HG3  GLU  82           HG3      GLU  82 -14.264   0.215 -15.627
  432    H    ASP  83           H        ASP  83 -13.686   0.397 -13.029
  433    HA   ASP  83           HA       ASP  83 -12.900   3.211 -13.305
  434    HB2  ASP  83           HB2      ASP  83 -14.613   1.778 -11.241
  435    HB3  ASP  83           HB3      ASP  83 -14.334   3.513 -11.246
  436    H    ARG  84           H        ARG  84 -12.133   0.590 -11.076
  437    HA   ARG  84           HA       ARG  84 -10.744   2.219  -9.083
  438    HB2  ARG  84           HB2      ARG  84 -10.670  -0.807  -9.530
  439    HB3  ARG  84           HB3      ARG  84 -10.095   0.067  -8.113
  440    HG2  ARG  84           HG2      ARG  84 -12.386   0.864  -7.638
  441    HG3  ARG  84           HG3      ARG  84 -12.994   0.010  -9.065
  442    HD2  ARG  84           HD2      ARG  84 -12.301  -2.151  -8.088
  443    HD3  ARG  84           HD3      ARG  84 -11.726  -1.311  -6.632
  444    HE   ARG  84           HE       ARG  84 -14.395  -0.472  -7.072
  445   HH11  ARG  84          HH11      ARG  84 -12.968  -3.642  -6.259
  446   HH12  ARG  84          HH12      ARG  84 -14.537  -4.130  -5.597
  447   HH21  ARG  84          HH21      ARG  84 -16.157  -1.243  -6.261
  448   HH22  ARG  84          HH22      ARG  84 -16.204  -2.885  -5.590
  449    H    LYS  85           H        LYS  85  -9.808   0.499 -12.027
  450    HA   LYS  85           HA       LYS  85  -6.957   0.937 -11.763
  451    HB2  LYS  85           HB2      LYS  85  -8.781   0.592 -14.177
  452    HB3  LYS  85           HB3      LYS  85  -7.035   0.836 -14.325
  453    HG2  LYS  85           HG2      LYS  85  -6.621  -1.126 -12.882
  454    HG3  LYS  85           HG3      LYS  85  -8.366  -1.425 -12.784
  455    HD2  LYS  85           HD2      LYS  85  -8.518  -1.826 -15.161
  456    HD3  LYS  85           HD3      LYS  85  -6.822  -1.375 -15.420
  457    HE2  LYS  85           HE2      LYS  85  -7.616  -3.589 -13.490
  458    HE3  LYS  85           HE3      LYS  85  -7.470  -3.906 -15.220
  459    HZ1  LYS  85           HZ1      LYS  85  -5.417  -4.349 -13.942
  460    HZ2  LYS  85           HZ2      LYS  85  -5.209  -2.742 -13.665
  461    HZ3  LYS  85           HZ3      LYS  85  -5.214  -3.309 -15.201
  462    H    ASN  86           H        ASN  86  -9.537   3.172 -12.383
  463    HA   ASN  86           HA       ASN  86  -7.627   5.200 -13.471
  464    HB2  ASN  86           HB2      ASN  86 -10.521   4.506 -14.092
  465    HB3  ASN  86           HB3      ASN  86  -9.790   6.025 -14.583
  466   HD21  ASN  86          HD21      ASN  86 -10.172   2.736 -15.472
  467   HD22  ASN  86          HD22      ASN  86  -9.048   2.777 -16.817
  468    H    VAL  87           H        VAL  87  -9.106   4.620 -10.564
  469    HA   VAL  87           HA       VAL  87 -10.282   7.207 -10.068
  470    HB   VAL  87           HB       VAL  87 -10.885   5.036  -8.983
  471   HG11  VAL  87          HG11      VAL  87  -9.754   4.293  -6.987
  472   HG12  VAL  87          HG12      VAL  87  -8.494   5.531  -7.189
  473   HG13  VAL  87          HG13      VAL  87  -8.668   4.215  -8.378
  474   HG21  VAL  87          HG21      VAL  87 -11.502   6.048  -6.858
  475   HG22  VAL  87          HG22      VAL  87 -11.679   7.242  -8.149
  476   HG23  VAL  87          HG23      VAL  87 -10.276   7.315  -7.051
  477    H    GLU  88           H        GLU  88  -9.531   8.956  -8.941
  478    HA   GLU  88           HA       GLU  88  -6.846   9.710  -9.334
  479    HB2  GLU  88           HB2      GLU  88  -9.028  10.828  -7.542
  480    HB3  GLU  88           HB3      GLU  88  -7.464  11.620  -7.769
  481    HG2  GLU  88           HG2      GLU  88  -7.928  11.742 -10.231
  482    HG3  GLU  88           HG3      GLU  88  -9.567  11.154  -9.904
  483    H    LEU  89           H        LEU  89  -5.201  10.285  -7.955
  484    HA   LEU  89           HA       LEU  89  -5.044   8.965  -5.263
  485    HB2  LEU  89           HB2      LEU  89  -2.922   9.383  -7.404
  486    HB3  LEU  89           HB3      LEU  89  -2.542   8.913  -5.758
  487    HG   LEU  89           HG       LEU  89  -4.353   7.279  -7.586
  488   HD11  LEU  89          HD11      LEU  89  -2.154   7.402  -8.560
  489   HD12  LEU  89          HD12      LEU  89  -2.380   5.798  -7.867
  490   HD13  LEU  89          HD13      LEU  89  -1.388   6.983  -7.000
  491   HD21  LEU  89          HD21      LEU  89  -2.900   6.663  -4.951
  492   HD22  LEU  89          HD22      LEU  89  -3.740   5.458  -5.938
  493   HD23  LEU  89          HD23      LEU  89  -4.665   6.759  -5.182
  494    H    LEU  90           H        LEU  90  -5.050  10.433  -3.690
  495    HA   LEU  90           HA       LEU  90  -4.856  13.215  -4.062
  496    HB2  LEU  90           HB2      LEU  90  -4.837  11.367  -1.670
  497    HB3  LEU  90           HB3      LEU  90  -4.596  13.086  -1.422
  498    HG   LEU  90           HG       LEU  90  -6.995  12.055  -2.979
  499   HD11  LEU  90          HD11      LEU  90  -8.284  12.329  -0.877
  500   HD12  LEU  90          HD12      LEU  90  -6.766  12.604   0.011
  501   HD13  LEU  90          HD13      LEU  90  -7.092  11.034  -0.770
  502   HD21  LEU  90          HD21      LEU  90  -6.464  14.651  -1.462
  503   HD22  LEU  90          HD22      LEU  90  -7.964  14.224  -2.312
  504   HD23  LEU  90          HD23      LEU  90  -6.479  14.469  -3.233
  505    H    GLY  91           H        GLY  91  -2.183  11.011  -3.364
  506    HA2  GLY  91           HA2      GLY  91  -0.209  13.062  -3.834
  507    HA3  GLY  91           HA3      GLY  91  -0.357  12.710  -2.115
  508    H    LYS  92           H        LYS  92   1.999  12.191  -2.626
  509    HA   LYS  92           HA       LYS  92   2.732   9.865  -4.121
  510    HB2  LYS  92           HB2      LYS  92   4.060  12.061  -3.232
  511    HB3  LYS  92           HB3      LYS  92   4.453  10.963  -1.920
  512    HG2  LYS  92           HG2      LYS  92   6.224  10.681  -3.359
  513    HG3  LYS  92           HG3      LYS  92   5.185   9.320  -3.805
  514    HD2  LYS  92           HD2      LYS  92   4.369  10.637  -5.771
  515    HD3  LYS  92           HD3      LYS  92   5.515  11.930  -5.323
  516    HE2  LYS  92           HE2      LYS  92   7.392  10.304  -5.460
  517    HE3  LYS  92           HE3      LYS  92   6.255   9.031  -5.920
  518    HZ1  LYS  92           HZ1      LYS  92   6.916  11.436  -7.540
  519    HZ2  LYS  92           HZ2      LYS  92   5.749  10.353  -7.941
  520    HZ3  LYS  92           HZ3      LYS  92   7.295   9.869  -7.851
  521    H    MET  93           H        MET  93   3.569   7.888  -3.384
  522    HA   MET  93           HA       MET  93   1.854   6.598  -1.469
  523    HB2  MET  93           HB2      MET  93   2.620   5.746  -3.709
  524    HB3  MET  93           HB3      MET  93   4.206   5.427  -3.003
  525    HG2  MET  93           HG2      MET  93   3.007   3.950  -1.279
  526    HG3  MET  93           HG3      MET  93   1.528   4.235  -2.192
  527    HE1  MET  93           HE1      MET  93   5.047   1.486  -3.369
  528    HE2  MET  93           HE2      MET  93   4.713   2.147  -1.757
  529    HE3  MET  93           HE3      MET  93   5.349   3.205  -3.040
  530    H    TYR  94           H        TYR  94   2.812   8.027   0.365
  531    HA   TYR  94           HA       TYR  94   5.242   7.635   1.620
  532    HB2  TYR  94           HB2      TYR  94   4.071   9.263   2.655
  533    HB3  TYR  94           HB3      TYR  94   2.543   8.504   2.394
  534    HD1  TYR  94           HD1      TYR  94   5.405   8.770   4.738
  535    HD2  TYR  94           HD2      TYR  94   1.521   7.044   4.056
  536    HE1  TYR  94           HE1      TYR  94   5.161   8.350   7.177
  537    HE2  TYR  94           HE2      TYR  94   1.285   6.602   6.505
  538    HH   TYR  94           HH       TYR  94   3.758   7.642   8.858
  539    H    LYS  95           H        LYS  95   2.377   5.488   2.382
  540    HA   LYS  95           HA       LYS  95   4.319   3.337   2.968
  541    HB2  LYS  95           HB2      LYS  95   4.118   4.774   5.035
  542    HB3  LYS  95           HB3      LYS  95   2.426   4.302   5.161
  543    HG2  LYS  95           HG2      LYS  95   2.952   2.152   5.868
  544    HG3  LYS  95           HG3      LYS  95   4.448   2.095   4.948
  545    HD2  LYS  95           HD2      LYS  95   4.928   2.049   7.304
  546    HD3  LYS  95           HD3      LYS  95   5.612   3.486   6.556
  547    HE2  LYS  95           HE2      LYS  95   3.851   4.886   7.509
  548    HE3  LYS  95           HE3      LYS  95   3.017   3.459   8.137
  549    HZ1  LYS  95           HZ1      LYS  95   4.309   4.477   9.881
  550    HZ2  LYS  95           HZ2      LYS  95   5.693   4.388   8.996
  551    HZ3  LYS  95           HZ3      LYS  95   4.973   3.012   9.538
  552    H    THR  96           H        THR  96   3.426   1.241   3.204
  553    HA   THR  96           HA       THR  96   0.608   0.877   2.257
  554    HB   THR  96           HB       THR  96   2.835  -0.820   1.131
  555    HG1  THR  96           HG1      THR  96   1.935   1.574   0.001
  556   HG21  THR  96          HG21      THR  96   1.348  -1.000  -0.801
  557   HG22  THR  96          HG22      THR  96   0.186   0.114  -0.052
  558   HG23  THR  96          HG23      THR  96   0.483  -1.486   0.657
  559    H    TYR  97           H        TYR  97  -0.306  -1.120   2.778
  560    HA   TYR  97           HA       TYR  97   1.260  -2.943   4.543
  561    HB2  TYR  97           HB2      TYR  97  -1.572  -2.198   5.334
  562    HB3  TYR  97           HB3      TYR  97  -0.370  -3.056   6.203
  563    HD1  TYR  97           HD1      TYR  97  -0.930   0.369   4.735
  564    HD2  TYR  97           HD2      TYR  97   0.737  -1.984   7.940
  565    HE1  TYR  97           HE1      TYR  97  -0.206   2.428   5.884
  566    HE2  TYR  97           HE2      TYR  97   1.430   0.087   9.097
  567    HH   TYR  97           HH       TYR  97   1.428   2.426   9.066
  568    H    PHE  98           H        PHE  98   0.630  -5.040   4.599
  569    HA   PHE  98           HA       PHE  98  -1.368  -6.022   2.598
  570    HB2  PHE  98           HB2      PHE  98   1.570  -6.730   2.880
  571    HB3  PHE  98           HB3      PHE  98   0.450  -7.635   1.890
  572    HD1  PHE  98           HD1      PHE  98   2.241  -4.386   2.236
  573    HD2  PHE  98           HD2      PHE  98  -0.203  -6.889  -0.276
  574    HE1  PHE  98           HE1      PHE  98   2.759  -2.938   0.267
  575    HE2  PHE  98           HE2      PHE  98   0.408  -5.511  -2.250
  576    HZ   PHE  98           HZ       PHE  98   1.876  -3.548  -1.975
  577    H    PHE  99           H        PHE  99  -2.103  -8.109   2.890
  578    HA   PHE  99           HA       PHE  99  -1.841  -9.232   5.658
  579    HB2  PHE  99           HB2      PHE  99  -4.451  -8.720   4.162
  580    HB3  PHE  99           HB3      PHE  99  -4.239  -9.097   5.853
  581    HD1  PHE  99           HD1      PHE  99  -3.723  -6.403   3.297
  582    HD2  PHE  99           HD2      PHE  99  -4.065  -7.346   7.469
  583    HE1  PHE  99           HE1      PHE  99  -3.592  -4.006   3.833
  584    HE2  PHE  99           HE2      PHE  99  -4.041  -4.919   8.001
  585    HZ   PHE  99           HZ       PHE  99  -3.656  -3.248   6.232
  586    H    LYS 100           H        LYS 100  -2.006 -11.451   5.794
  587    HA   LYS 100           HA       LYS 100  -1.960 -13.008   3.310
  588    HB2  LYS 100           HB2      LYS 100  -1.905 -13.910   6.184
  589    HB3  LYS 100           HB3      LYS 100  -1.666 -14.956   4.765
  590    HG2  LYS 100           HG2      LYS 100   0.424 -14.361   4.401
  591    HG3  LYS 100           HG3      LYS 100   0.195 -12.658   4.754
  592    HD2  LYS 100           HD2      LYS 100   0.165 -13.184   7.192
  593    HD3  LYS 100           HD3      LYS 100   0.331 -14.910   6.811
  594    HE2  LYS 100           HE2      LYS 100   2.527 -14.344   5.663
  595    HE3  LYS 100           HE3      LYS 100   2.379 -12.710   6.335
  596    HZ1  LYS 100           HZ1      LYS 100   2.425 -15.225   7.913
  597    HZ2  LYS 100           HZ2      LYS 100   2.339 -13.709   8.550
  598    HZ3  LYS 100           HZ3      LYS 100   3.703 -14.206   7.751
  599    H    LYS 101           H        LYS 101  -3.176 -14.973   3.048
  600    HA   LYS 101           HA       LYS 101  -5.965 -14.684   2.852
  601    HB2  LYS 101           HB2      LYS 101  -5.963 -17.025   2.099
  602    HB3  LYS 101           HB3      LYS 101  -4.825 -15.945   1.298
  603    HG2  LYS 101           HG2      LYS 101  -2.954 -16.929   2.649
  604    HG3  LYS 101           HG3      LYS 101  -4.095 -18.037   3.395
  605    HD2  LYS 101           HD2      LYS 101  -2.792 -19.054   1.559
  606    HD3  LYS 101           HD3      LYS 101  -4.537 -19.131   1.292
  607    HE2  LYS 101           HE2      LYS 101  -4.474 -17.363  -0.341
  608    HE3  LYS 101           HE3      LYS 101  -2.808 -16.939   0.070
  609    HZ1  LYS 101           HZ1      LYS 101  -3.600 -19.538  -1.111
  610    HZ2  LYS 101           HZ2      LYS 101  -2.059 -18.999  -0.870
  611    HZ3  LYS 101           HZ3      LYS 101  -3.040 -18.279  -1.982
  612    H    GLY 102           H        GLY 102  -6.575 -13.998   4.865
  613    HA2  GLY 102           HA2      GLY 102  -8.266 -15.058   6.476
  614    HA3  GLY 102           HA3      GLY 102  -6.916 -16.058   7.024
  615    H    GLU 103           H        GLU 103  -6.454 -12.606   6.194
  616    HA   GLU 103           HA       GLU 103  -6.028 -11.971   9.080
  617    HB2  GLU 103           HB2      GLU 103  -3.975 -12.814   7.743
  618    HB3  GLU 103           HB3      GLU 103  -4.113 -11.293   6.840
  619    HG2  GLU 103           HG2      GLU 103  -3.727  -9.991   8.813
  620    HG3  GLU 103           HG3      GLU 103  -3.781 -11.433   9.842
  621    H    SER 104           H        SER 104  -6.379  -9.894   9.689
  622    HA   SER 104           HA       SER 104  -6.739  -7.744   7.656
  623    HB2  SER 104           HB2      SER 104  -8.815  -8.375   9.740
  624    HB3  SER 104           HB3      SER 104  -8.760  -6.906   8.754
  625    HG   SER 104           HG       SER 104 -10.067  -8.830   8.020
  626    H    LYS 105           H        LYS 105  -4.663  -8.481   9.651
  627    HA   LYS 105           HA       LYS 105  -4.142  -5.641  10.106
  628    HB2  LYS 105           HB2      LYS 105  -5.041  -6.190  12.279
  629    HB3  LYS 105           HB3      LYS 105  -3.935  -7.566  12.426
  630    HG2  LYS 105           HG2      LYS 105  -2.046  -6.140  12.533
  631    HG3  LYS 105           HG3      LYS 105  -2.954  -4.704  12.115
  632    HD2  LYS 105           HD2      LYS 105  -2.483  -4.721  14.524
  633    HD3  LYS 105           HD3      LYS 105  -4.225  -4.881  14.255
  634    HE2  LYS 105           HE2      LYS 105  -4.081  -7.304  14.531
  635    HE3  LYS 105           HE3      LYS 105  -2.316  -7.196  14.718
  636    HZ1  LYS 105           HZ1      LYS 105  -3.533  -7.370  16.850
  637    HZ2  LYS 105           HZ2      LYS 105  -4.253  -5.893  16.563
  638    HZ3  LYS 105           HZ3      LYS 105  -2.634  -5.996  16.760
  639    H    SER 106           H        SER 106  -2.249  -5.270   9.252
  640    HA   SER 106           HA       SER 106  -1.312  -7.101   7.473
  641    HB2  SER 106           HB2      SER 106   0.483  -5.582   6.912
  642    HB3  SER 106           HB3      SER 106  -0.993  -4.702   7.331
  643    HG   SER 106           HG       SER 106   1.408  -4.991   8.906
  644    H    SER 107           H        SER 107   0.600  -8.089   6.959
  645    HA   SER 107           HA       SER 107   2.508  -8.743   9.191
  646    HB2  SER 107           HB2      SER 107   1.037 -10.693   8.436
  647    HB3  SER 107           HB3      SER 107   1.757 -10.539   6.833
  648    HG   SER 107           HG       SER 107   3.009 -11.194   9.295
  649    H    TYR 108           H        TYR 108   2.129  -7.288   6.148
  650    HA   TYR 108           HA       TYR 108   5.057  -7.023   5.863
  651    HB2  TYR 108           HB2      TYR 108   4.239  -8.869   4.326
  652    HB3  TYR 108           HB3      TYR 108   3.305  -7.686   3.469
  653    HD1  TYR 108           HD1      TYR 108   6.602  -8.896   4.290
  654    HD2  TYR 108           HD2      TYR 108   4.467  -6.109   1.843
  655    HE1  TYR 108           HE1      TYR 108   8.610  -8.698   2.804
  656    HE2  TYR 108           HE2      TYR 108   6.489  -5.924   0.339
  657    HH   TYR 108           HH       TYR 108   8.656  -6.620  -0.083
  658    H    VAL 109           H        VAL 109   5.642  -5.030   5.382
  659    HA   VAL 109           HA       VAL 109   3.682  -3.087   4.333
  660    HB   VAL 109           HB       VAL 109   4.228  -1.397   5.949
  661   HG11  VAL 109          HG11      VAL 109   3.413  -3.897   7.433
  662   HG12  VAL 109          HG12      VAL 109   2.345  -2.874   6.437
  663   HG13  VAL 109          HG13      VAL 109   3.100  -2.209   7.905
  664   HG21  VAL 109          HG21      VAL 109   6.266  -1.586   6.664
  665   HG22  VAL 109          HG22      VAL 109   6.134  -3.323   7.125
  666   HG23  VAL 109          HG23      VAL 109   5.381  -2.038   8.112
  667    H    ILE 110           H        ILE 110   4.644  -1.079   3.657
  668    HA   ILE 110           HA       ILE 110   7.447  -1.460   2.648
  669    HB   ILE 110           HB       ILE 110   5.005  -0.847   1.005
  670   HG12  ILE 110          HG12      ILE 110   6.248  -3.511   1.609
  671   HG13  ILE 110          HG13      ILE 110   4.575  -3.055   1.562
  672   HG21  ILE 110          HG21      ILE 110   6.365  -1.126  -0.952
  673   HG22  ILE 110          HG22      ILE 110   7.766  -1.648   0.000
  674   HG23  ILE 110          HG23      ILE 110   7.175   0.028   0.084
  675   HD11  ILE 110          HD11      ILE 110   4.914  -4.523  -0.235
  676   HD12  ILE 110          HD12      ILE 110   6.404  -3.718  -0.737
  677   HD13  ILE 110          HD13      ILE 110   4.822  -2.920  -0.994
  678    H    ASN 111           H        ASN 111   8.603   0.347   2.426
  679    HA   ASN 111           HA       ASN 111   7.322   2.934   3.148
  680    HB2  ASN 111           HB2      ASN 111  10.282   2.169   3.119
  681    HB3  ASN 111           HB3      ASN 111   9.575   3.657   3.753
  682   HD21  ASN 111          HD21      ASN 111   7.693   3.099   5.442
  683   HD22  ASN 111          HD22      ASN 111   8.189   1.925   6.668
  684    H    GLY 112           H        GLY 112   6.754   4.140   1.423
  685    HA2  GLY 112           HA2      GLY 112   8.254   3.789  -1.159
  686    HA3  GLY 112           HA3      GLY 112   6.577   4.278  -0.995
  687    HA   PRO 113           HA       PRO 113   9.068   8.208  -1.206
  688    HB2  PRO 113           HB2      PRO 113   8.026   9.255  -3.491
  689    HB3  PRO 113           HB3      PRO 113   9.406   8.123  -3.493
  690    HG2  PRO 113           HG2      PRO 113   6.488   7.478  -4.003
  691    HG3  PRO 113           HG3      PRO 113   7.938   6.957  -4.907
  692    HD2  PRO 113           HD2      PRO 113   6.693   5.410  -2.990
  693    HD3  PRO 113           HD3      PRO 113   8.451   5.320  -3.314
  694    H    GLY 114           H        GLY 114   8.243   9.428   0.181
  695    HA2  GLY 114           HA2      GLY 114   6.366  11.236   0.319
  696    HA3  GLY 114           HA3      GLY 114   5.334   9.834   0.628
  697    H    LYS 115           H        LYS 115   6.408  12.195   2.320
  698    HA   LYS 115           HA       LYS 115   8.003  10.694   4.378
  699    HB2  LYS 115           HB2      LYS 115   8.983  12.584   3.071
  700    HB3  LYS 115           HB3      LYS 115   7.861  13.690   3.887
  701    HG2  LYS 115           HG2      LYS 115   8.861  13.169   6.069
  702    HG3  LYS 115           HG3      LYS 115   9.835  11.878   5.345
  703    HD2  LYS 115           HD2      LYS 115  10.852  13.708   3.844
  704    HD3  LYS 115           HD3      LYS 115  10.109  14.887   4.928
  705    HE2  LYS 115           HE2      LYS 115  12.081  12.686   5.712
  706    HE3  LYS 115           HE3      LYS 115  12.510  14.373   5.417
  707    HZ1  LYS 115           HZ1      LYS 115  11.073  14.995   7.285
  708    HZ2  LYS 115           HZ2      LYS 115  12.269  13.975   7.762
  709    HZ3  LYS 115           HZ3      LYS 115  10.727  13.431   7.611
  710    H    THR 116           H        THR 116   4.991  12.333   4.033
  711    HA   THR 116           HA       THR 116   4.072  11.522   6.632
  712    HB   THR 116           HB       THR 116   5.341  13.560   7.278
  713    HG1  THR 116           HG1      THR 116   3.891  14.165   8.567
  714   HG21  THR 116          HG21      THR 116   3.397  15.043   5.455
  715   HG22  THR 116          HG22      THR 116   5.151  14.928   5.260
  716   HG23  THR 116          HG23      THR 116   4.476  15.793   6.652
  717    H    ASN 117           H        ASN 117   1.689  12.335   6.876
  718    HA   ASN 117           HA       ASN 117   0.447  12.030   4.244
  719    HB2  ASN 117           HB2      ASN 117  -0.726  12.160   7.045
  720    HB3  ASN 117           HB3      ASN 117  -1.617  11.797   5.572
  721   HD21  ASN 117          HD21      ASN 117  -0.400   9.952   4.189
  722   HD22  ASN 117          HD22      ASN 117   0.291   8.657   5.184
  723    H    GLU 118           H        GLU 118   1.336  14.753   6.173
  724    HA   GLU 118           HA       GLU 118  -0.876  16.334   6.203
  725    HB2  GLU 118           HB2      GLU 118   1.975  17.313   5.950
  726    HB3  GLU 118           HB3      GLU 118   0.595  18.266   6.510
  727    HG2  GLU 118           HG2      GLU 118   0.261  16.609   8.362
  728    HG3  GLU 118           HG3      GLU 118   1.736  15.789   7.863
  729    H    TYR 119           H        TYR 119   1.512  17.059   3.689
  730    HA   TYR 119           HA       TYR 119  -0.546  18.064   1.884
  731    HB2  TYR 119           HB2      TYR 119  -0.218  19.771   3.790
  732    HB3  TYR 119           HB3      TYR 119   1.388  20.050   3.142
  733    HD1  TYR 119           HD1      TYR 119  -2.195  19.848   1.970
  734    HD2  TYR 119           HD2      TYR 119   1.587  21.898   1.674
  735    HE1  TYR 119           HE1      TYR 119  -3.202  21.482   0.392
  736    HE2  TYR 119           HE2      TYR 119   0.567  23.561   0.124
  737    HH   TYR 119           HH       TYR 119  -2.897  23.428  -0.787
  738    H    ALA 120           H        ALA 120   1.759  16.322   1.739
  739    HA   ALA 120           HA       ALA 120   3.524  15.717   0.455
  740    HB1  ALA 120           HB1      ALA 120   1.616  15.563  -1.115
  741    HB2  ALA 120           HB2      ALA 120   3.138  15.883  -1.959
  742    HB3  ALA 120           HB3      ALA 120   1.974  17.203  -1.702
  743    H    TYR 121           H        TYR 121   4.151  18.027   1.906
  744    HA   TYR 121           HA       TYR 121   6.062  19.527   0.138
  745    HB2  TYR 121           HB2      TYR 121   4.225  20.950   0.719
  746    HB3  TYR 121           HB3      TYR 121   4.301  20.471   2.408
  747    HD1  TYR 121           HD1      TYR 121   6.704  21.856  -0.174
  748    HD2  TYR 121           HD2      TYR 121   5.178  22.058   3.850
  749    HE1  TYR 121           HE1      TYR 121   8.281  23.718   0.335
  750    HE2  TYR 121           HE2      TYR 121   6.743  23.929   4.358
  751    HH   TYR 121           HH       TYR 121   8.396  25.288   3.562
  752    H1   ACE   6           H1       ACE   6  25.675  -1.651  -7.570
  753    H2   ACE   6           H2       ACE   6  24.350  -2.690  -8.138
  754    H3   ACE   6           H3       ACE   6  24.633  -1.108  -8.904
  755    H    THR   7           H        THR   7  22.145  -1.381  -8.167
  756    HA   THR   7           HA       THR   7  21.666  -0.440  -5.419
  757    HB   THR   7           HB       THR   7  22.279   1.625  -6.578
  758    HG1  THR   7           HG1      THR   7  20.833   1.998  -5.084
  759   HG21  THR   7          HG21      THR   7  20.883   2.604  -8.327
  760   HG22  THR   7          HG22      THR   7  19.915   1.120  -8.433
  761   HG23  THR   7          HG23      THR   7  21.629   1.109  -8.903
  762    H    THR   8           H        THR   8  19.487  -0.590  -4.774
  763    HA   THR   8           HA       THR   8  17.480  -1.547  -6.732
  764    HB   THR   8           HB       THR   8  17.902  -2.971  -4.091
  765    HG1  THR   8           HG1      THR   8  18.290  -4.494  -6.276
  766   HG21  THR   8          HG21      THR   8  15.608  -3.169  -4.910
  767   HG22  THR   8          HG22      THR   8  16.199  -3.688  -6.505
  768   HG23  THR   8          HG23      THR   8  16.445  -4.709  -5.066
  769    HA   PRO   9           HA       PRO   9  14.955   1.320  -4.256
  770    HB2  PRO   9           HB2      PRO   9  12.742  -0.550  -5.079
  771    HB3  PRO   9           HB3      PRO   9  12.783   1.239  -5.116
  772    HG2  PRO   9           HG2      PRO   9  13.120  -0.198  -7.384
  773    HG3  PRO   9           HG3      PRO   9  14.145   1.244  -7.070
  774    HD2  PRO   9           HD2      PRO   9  14.810  -1.679  -6.678
  775    HD3  PRO   9           HD3      PRO   9  15.811  -0.374  -7.392
  776    H    ASP  10           H        ASP  10  13.292   1.192  -2.475
  777    HA   ASP  10           HA       ASP  10  13.609  -1.082  -0.619
  778    HB2  ASP  10           HB2      ASP  10  11.610   1.229  -0.703
  779    HB3  ASP  10           HB3      ASP  10  11.738   0.055   0.598
  780    H2   TYS  11           H2       TYS  11  12.475  -2.964  -0.771
  781    HA   TYS  11           HA       TYS  11  10.041  -3.050  -2.497
  782    HB2  TYS  11           HB2      TYS  11  12.629  -4.490  -2.785
  783    HB3  TYS  11           HB3      TYS  11  11.269  -5.594  -2.727
  784    HD1  TYS  11           HD1      TYS  11   9.076  -4.564  -3.883
  785    HD2  TYS  11           HD2      TYS  11  13.128  -3.748  -5.026
  786    HE1  TYS  11           HE1      TYS  11   8.273  -3.574  -5.871
  787    HE2  TYS  11           HE2      TYS  11  12.331  -3.032  -7.242
  788    H    GLY  12           H        GLY  12  10.142  -2.666   0.065
  789    HA2  GLY  12           HA2      GLY  12   8.483  -3.016   1.643
  790    HA3  GLY  12           HA3      GLY  12   8.002  -4.474   0.791
  791    H    HIS  13           H        HIS  13   8.015  -4.548   3.587
  792    HA   HIS  13           HA       HIS  13   9.978  -6.692   4.070
  793    HB2  HIS  13           HB2      HIS  13  10.722  -5.661   6.184
  794    HB3  HIS  13           HB3      HIS  13  11.297  -4.793   4.767
  795    HD1  HIS  13           HD1      HIS  13  10.175  -2.367   4.242
  796    HD2  HIS  13           HD2      HIS  13   8.653  -4.344   7.647
  797    HE1  HIS  13           HE1      HIS  13   8.496  -0.771   5.423
  798    HE2  HIS  13           HE2      HIS  13   8.050  -1.850   7.744
  799    H2   TYS  14           H2       TYS  14   9.542  -7.924   5.943
  800    HA   TYS  14           HA       TYS  14   6.705  -7.958   6.679
  801    HB2  TYS  14           HB2      TYS  14   9.058  -9.734   7.402
  802    HB3  TYS  14           HB3      TYS  14   7.485  -9.936   8.117
  803    HD1  TYS  14           HD1      TYS  14   9.272 -10.020   4.754
  804    HD2  TYS  14           HD2      TYS  14   5.563 -10.814   6.834
  805    HE1  TYS  14           HE1      TYS  14   8.664 -11.580   3.062
  806    HE2  TYS  14           HE2      TYS  14   4.957 -12.411   5.086
  807    H    ASP  15           H        ASP  15   5.711  -7.316   8.409
  808    HA   ASP  15           HA       ASP  15   7.281  -5.550  10.250
  809    HB2  ASP  15           HB2      ASP  15   5.924  -3.929   9.792
  810    HB3  ASP  15           HB3      ASP  15   5.185  -4.893   8.517
  811    H    ASP  16           H        ASP  16   6.868  -5.441  12.431
  812    HA   ASP  16           HA       ASP  16   4.511  -6.793  13.438
  813    HB2  ASP  16           HB2      ASP  16   6.514  -8.453  13.472
  814    HB3  ASP  16           HB3      ASP  16   7.194  -7.435  14.742
  815    H    LYS  17           H        LYS  17   4.993  -4.119  13.140
  816    HA   LYS  17           HA       LYS  17   4.720  -3.030  15.831
  817    HB2  LYS  17           HB2      LYS  17   6.669  -1.622  15.917
  818    HB3  LYS  17           HB3      LYS  17   7.207  -3.289  15.702
  819    HG2  LYS  17           HG2      LYS  17   7.453  -2.783  13.210
  820    HG3  LYS  17           HG3      LYS  17   7.060  -1.099  13.608
  821    HD2  LYS  17           HD2      LYS  17   9.031  -1.019  15.139
  822    HD3  LYS  17           HD3      LYS  17   9.439  -2.672  14.656
  823    HE2  LYS  17           HE2      LYS  17  10.796  -1.092  13.397
  824    HE3  LYS  17           HE3      LYS  17   9.699  -1.944  12.306
  825    HZ1  LYS  17           HZ1      LYS  17   9.743   0.458  11.860
  826    HZ2  LYS  17           HZ2      LYS  17   9.193   0.780  13.395
  827    HZ3  LYS  17           HZ3      LYS  17   8.253  -0.001  12.301
  828    H    ASP  18           H        ASP  18   4.840  -2.459  12.377
  829    HA   ASP  18           HA       ASP  18   3.884   0.350  12.644
  830    HB2  ASP  18           HB2      ASP  18   4.775  -1.449  10.357
  831    HB3  ASP  18           HB3      ASP  18   3.832  -0.010  10.033
  832    H    THR  19           H        THR  19   2.645  -2.864  12.081
  833    HA   THR  19           HA       THR  19   0.893  -2.752  10.256
  834    HB   THR  19           HB       THR  19   1.099  -4.807  11.472
  835    HG1  THR  19           HG1      THR  19  -0.407  -4.785  10.215
  836   HG21  THR  19          HG21      THR  19  -0.565  -3.687  13.697
  837   HG22  THR  19          HG22      THR  19   1.172  -4.099  13.773
  838   HG23  THR  19          HG23      THR  19   0.003  -5.375  13.462
  839    H    LEU  20           H        LEU  20  -1.033  -2.257   9.518
  840    HA   LEU  20           HA       LEU  20  -2.838  -0.416  10.993
  841    HB2  LEU  20           HB2      LEU  20  -2.104   0.398   8.768
  842    HB3  LEU  20           HB3      LEU  20  -2.426  -1.190   8.075
  843    HG   LEU  20           HG       LEU  20  -4.814  -0.882   8.355
  844   HD11  LEU  20          HD11      LEU  20  -4.095   1.884   9.422
  845   HD12  LEU  20          HD12      LEU  20  -4.976   0.608  10.287
  846   HD13  LEU  20          HD13      LEU  20  -5.720   1.387   8.889
  847   HD21  LEU  20          HD21      LEU  20  -3.609   1.575   7.031
  848   HD22  LEU  20          HD22      LEU  20  -5.024   0.611   6.520
  849   HD23  LEU  20          HD23      LEU  20  -3.384  -0.063   6.421
  850    H    ASP  21           H        ASP  21  -4.845  -1.202  11.467
  851    HA   ASP  21           HA       ASP  21  -5.516  -3.990  10.715
  852    HB2  ASP  21           HB2      ASP  21  -6.409  -4.357  12.700
  853    HB3  ASP  21           HB3      ASP  21  -5.328  -3.087  13.213
  854    H    LEU  22           H        LEU  22  -7.230  -4.500   9.803
  855    HA   LEU  22           HA       LEU  22  -8.998  -2.515   8.420
  856    HB2  LEU  22           HB2      LEU  22  -7.294  -4.848   7.650
  857    HB3  LEU  22           HB3      LEU  22  -8.870  -4.838   6.885
  858    HG   LEU  22           HG       LEU  22  -8.444  -2.586   5.965
  859   HD11  LEU  22          HD11      LEU  22  -5.720  -2.959   7.280
  860   HD12  LEU  22          HD12      LEU  22  -6.892  -1.654   7.568
  861   HD13  LEU  22          HD13      LEU  22  -6.088  -1.760   6.008
  862   HD21  LEU  22          HD21      LEU  22  -6.623  -3.383   4.398
  863   HD22  LEU  22          HD22      LEU  22  -7.929  -4.551   4.643
  864   HD23  LEU  22          HD23      LEU  22  -6.376  -4.769   5.485
  865    H    ASN  23           H        ASN  23  -9.291  -4.774  10.774
  866    HA   ASN  23           HA       ASN  23 -10.815  -6.858   9.906
  867    HB2  ASN  23           HB2      ASN  23 -11.017  -5.508  12.602
  868    HB3  ASN  23           HB3      ASN  23 -11.464  -7.178  12.261
  869   HD21  ASN  23          HD21      ASN  23  -8.810  -4.963  12.898
  870   HD22  ASN  23          HD22      ASN  23  -7.627  -6.244  13.059
  871    H    THR  24           H        THR  24 -12.307  -3.865  11.201
  872    HA   THR  24           HA       THR  24 -14.519  -3.462  11.725
  873    HB   THR  24           HB       THR  24 -14.072  -2.331   9.706
  874    HG1  THR  24           HG1      THR  24 -16.666  -3.412   9.543
  875   HG21  THR  24          HG21      THR  24 -13.479  -4.079   8.195
  876   HG22  THR  24          HG22      THR  24 -14.868  -3.213   7.504
  877   HG23  THR  24          HG23      THR  24 -15.071  -4.816   8.273
  878    HA   PRO  25           HA       PRO  25 -15.876  -7.930  11.294
  879    HB2  PRO  25           HB2      PRO  25 -15.693  -8.827  13.864
  880    HB3  PRO  25           HB3      PRO  25 -14.288  -8.677  12.769
  881    HG2  PRO  25           HG2      PRO  25 -15.149  -6.800  14.974
  882    HG3  PRO  25           HG3      PRO  25 -13.492  -7.329  14.506
  883    HD2  PRO  25           HD2      PRO  25 -14.661  -4.928  13.719
  884    HD3  PRO  25           HD3      PRO  25 -13.314  -5.757  12.898
  885    H    VAL  26           H        VAL  26 -17.777  -9.020  11.937
  886    HA   VAL  26           HA       VAL  26 -19.697  -7.638  13.701
  887    HB   VAL  26           HB       VAL  26 -19.913  -6.709  11.367
  888   HG11  VAL  26          HG11      VAL  26 -19.632  -8.819  10.066
  889   HG12  VAL  26          HG12      VAL  26 -21.100  -7.921   9.656
  890   HG13  VAL  26          HG13      VAL  26 -21.213  -9.369  10.665
  891   HG21  VAL  26          HG21      VAL  26 -22.360  -6.721  11.419
  892   HG22  VAL  26          HG22      VAL  26 -21.668  -6.494  13.031
  893   HG23  VAL  26          HG23      VAL  26 -22.350  -8.067  12.571
  894    H    ASP  27           H        ASP  27 -21.098  -9.007  14.738
  895    HA   ASP  27           HA       ASP  27 -20.495 -11.896  14.424
  896    HB2  ASP  27           HB2      ASP  27 -21.891 -10.303  16.602
  897    HB3  ASP  27           HB3      ASP  27 -21.690 -12.056  16.629
  898    H    LYS  28           H        LYS  28 -22.803  -9.850  13.219
  899    HA   LYS  28           HA       LYS  28 -24.166 -12.116  12.045
  900    HB2  LYS  28           HB2      LYS  28 -26.458 -11.314  12.443
  901    HB3  LYS  28           HB3      LYS  28 -25.646 -11.943  13.870
  902    HG2  LYS  28           HG2      LYS  28 -25.222  -9.587  14.636
  903    HG3  LYS  28           HG3      LYS  28 -26.163  -8.999  13.247
  904    HD2  LYS  28           HD2      LYS  28 -28.113 -10.308  13.995
  905    HD3  LYS  28           HD3      LYS  28 -27.207 -10.912  15.383
  906    HE2  LYS  28           HE2      LYS  28 -28.007  -8.016  14.852
  907    HE3  LYS  28           HE3      LYS  28 -28.714  -9.121  16.035
  908    HZ1  LYS  28           HZ1      LYS  28 -26.286  -9.232  16.903
  909    HZ2  LYS  28           HZ2      LYS  28 -27.268  -7.971  17.308
  910    HZ3  LYS  28           HZ3      LYS  28 -26.126  -7.764  16.138
  911    HN1  NH2  29           HN1      NH2  29 -23.803 -11.691   9.962
  912    HN2  NH2  29           HN2      NH2  29 -23.936 -10.115   9.219
  Start of MODEL   12
    1    H1   ASN  31           H1       ASN  31  -3.905  13.573 -27.024
    2    H2   ASN  31           H2       ASN  31  -5.496  13.630 -27.441
    3    H3   ASN  31           H3       ASN  31  -4.421  12.769 -28.345
    4    HA   ASN  31           HA       ASN  31  -5.266  12.174 -25.585
    5    HB2  ASN  31           HB2      ASN  31  -5.689  10.576 -28.156
    6    HB3  ASN  31           HB3      ASN  31  -6.133  10.046 -26.544
    7   HD21  ASN  31          HD21      ASN  31  -7.613  11.108 -29.272
    8   HD22  ASN  31          HD22      ASN  31  -8.947  11.961 -28.522
    9    H    SER  32           H        SER  32  -4.163  10.457 -24.541
   10    HA   SER  32           HA       SER  32  -2.017   9.009 -25.835
   11    HB2  SER  32           HB2      SER  32  -1.063  11.398 -25.318
   12    HB3  SER  32           HB3      SER  32  -1.012  10.848 -23.637
   13    HG   SER  32           HG       SER  32   0.368   9.178 -24.260
   14    H    GLY  33           H        GLY  33  -3.541  10.009 -22.758
   15    HA2  GLY  33           HA2      GLY  33  -4.410   8.640 -21.134
   16    HA3  GLY  33           HA3      GLY  33  -3.674   7.232 -21.891
   17    H    LEU  34           H        LEU  34  -1.812  10.102 -20.733
   18    HA   LEU  34           HA       LEU  34   0.032   8.416 -19.347
   19    HB2  LEU  34           HB2      LEU  34  -0.464  11.404 -19.357
   20    HB3  LEU  34           HB3      LEU  34   0.723  10.692 -18.273
   21    HG   LEU  34           HG       LEU  34   0.791  10.482 -21.310
   22   HD11  LEU  34          HD11      LEU  34   2.762  11.970 -21.074
   23   HD12  LEU  34          HD12      LEU  34   2.496  12.049 -19.320
   24   HD13  LEU  34          HD13      LEU  34   1.304  12.739 -20.444
   25   HD21  LEU  34          HD21      LEU  34   2.656   9.459 -19.125
   26   HD22  LEU  34          HD22      LEU  34   3.162   9.639 -20.815
   27   HD23  LEU  34          HD23      LEU  34   1.880   8.507 -20.410
   28    HA   PRO  35           HA       PRO  35  -2.524   7.675 -15.867
   29    HB2  PRO  35           HB2      PRO  35  -0.786   6.244 -14.216
   30    HB3  PRO  35           HB3      PRO  35  -1.610   5.572 -15.626
   31    HG2  PRO  35           HG2      PRO  35   1.201   6.657 -15.409
   32    HG3  PRO  35           HG3      PRO  35   0.648   5.204 -16.286
   33    HD2  PRO  35           HD2      PRO  35   1.163   7.567 -17.550
   34    HD3  PRO  35           HD3      PRO  35  -0.148   6.479 -18.093
   35    H    THR  36           H        THR  36  -3.023   8.191 -13.822
   36    HA   THR  36           HA       THR  36  -1.129   8.784 -11.772
   37    HB   THR  36           HB       THR  36  -1.076  11.010 -12.589
   38    HG1  THR  36           HG1      THR  36  -2.616  11.585 -10.470
   39   HG21  THR  36          HG21      THR  36  -2.963  12.544 -12.618
   40   HG22  THR  36          HG22      THR  36  -4.082  11.231 -12.188
   41   HG23  THR  36          HG23      THR  36  -3.240  11.217 -13.752
   42    H    THR  37           H        THR  37  -2.639   6.672 -12.006
   43    HA   THR  37           HA       THR  37  -4.895   7.048 -10.125
   44    HB   THR  37           HB       THR  37  -6.311   5.556 -11.413
   45    HG1  THR  37           HG1      THR  37  -4.858   5.619 -13.716
   46   HG21  THR  37          HG21      THR  37  -6.560   7.920 -11.998
   47   HG22  THR  37          HG22      THR  37  -6.773   6.903 -13.432
   48   HG23  THR  37          HG23      THR  37  -5.266   7.798 -13.193
   49    H    LEU  38           H        LEU  38  -5.602   5.157  -9.021
   50    HA   LEU  38           HA       LEU  38  -3.564   3.514  -7.990
   51    HB2  LEU  38           HB2      LEU  38  -6.570   3.220  -8.094
   52    HB3  LEU  38           HB3      LEU  38  -5.610   1.851  -7.586
   53    HG   LEU  38           HG       LEU  38  -5.689   4.539  -6.204
   54   HD11  LEU  38          HD11      LEU  38  -6.583   1.730  -5.387
   55   HD12  LEU  38          HD12      LEU  38  -7.669   3.041  -5.908
   56   HD13  LEU  38          HD13      LEU  38  -6.738   3.197  -4.421
   57   HD21  LEU  38          HD21      LEU  38  -4.363   3.379  -4.412
   58   HD22  LEU  38          HD22      LEU  38  -3.433   3.665  -5.873
   59   HD23  LEU  38          HD23      LEU  38  -4.070   2.036  -5.543
   60    H    GLY  39           H        GLY  39  -5.475   2.866 -10.942
   61    HA2  GLY  39           HA2      GLY  39  -4.969   0.179 -11.261
   62    HA3  GLY  39           HA3      GLY  39  -5.024   1.303 -12.613
   63    H    LYS  40           H        LYS  40  -2.568   2.766 -12.029
   64    HA   LYS  40           HA       LYS  40  -0.550   0.755 -12.799
   65    HB2  LYS  40           HB2      LYS  40  -0.759   3.771 -12.770
   66    HB3  LYS  40           HB3      LYS  40   0.848   3.038 -12.834
   67    HG2  LYS  40           HG2      LYS  40  -1.348   2.071 -14.707
   68    HG3  LYS  40           HG3      LYS  40  -0.415   3.514 -15.076
   69    HD2  LYS  40           HD2      LYS  40   1.665   2.306 -15.099
   70    HD3  LYS  40           HD3      LYS  40   0.933   0.876 -14.356
   71    HE2  LYS  40           HE2      LYS  40  -0.495   0.556 -16.364
   72    HE3  LYS  40           HE3      LYS  40   0.335   1.914 -17.145
   73    HZ1  LYS  40           HZ1      LYS  40   1.628  -0.594 -16.195
   74    HZ2  LYS  40           HZ2      LYS  40   2.426   0.670 -16.877
   75    HZ3  LYS  40           HZ3      LYS  40   1.334  -0.197 -17.768
   76    H    LEU  41           H        LEU  41  -1.043   2.917 -10.018
   77    HA   LEU  41           HA       LEU  41   1.326   2.087  -8.654
   78    HB2  LEU  41           HB2      LEU  41  -0.109   4.035  -8.090
   79    HB3  LEU  41           HB3      LEU  41  -1.303   2.954  -7.377
   80    HG   LEU  41           HG       LEU  41   1.542   2.646  -6.432
   81   HD11  LEU  41          HD11      LEU  41  -0.188   5.019  -5.608
   82   HD12  LEU  41          HD12      LEU  41   1.343   5.096  -6.511
   83   HD13  LEU  41          HD13      LEU  41   1.331   4.514  -4.837
   84   HD21  LEU  41          HD21      LEU  41  -1.082   2.865  -4.897
   85   HD22  LEU  41          HD22      LEU  41   0.492   2.341  -4.251
   86   HD23  LEU  41          HD23      LEU  41  -0.358   1.342  -5.445
   87    H    ASP  42           H        ASP  42  -1.902   0.553  -8.676
   88    HA   ASP  42           HA       ASP  42  -1.414  -1.661  -6.946
   89    HB2  ASP  42           HB2      ASP  42  -3.645  -1.047  -7.696
   90    HB3  ASP  42           HB3      ASP  42  -3.172  -1.207  -9.389
   91    H    GLU  43           H        GLU  43  -0.783  -1.312 -10.453
   92    HA   GLU  43           HA       GLU  43   0.106  -4.001 -10.880
   93    HB2  GLU  43           HB2      GLU  43  -0.541  -2.466 -12.677
   94    HB3  GLU  43           HB3      GLU  43   0.837  -1.421 -12.337
   95    HG2  GLU  43           HG2      GLU  43   2.409  -3.145 -13.007
   96    HG3  GLU  43           HG3      GLU  43   1.107  -4.331 -13.165
   97    H    ARG  44           H        ARG  44   1.850  -1.045  -9.875
   98    HA   ARG  44           HA       ARG  44   4.439  -2.227  -9.595
   99    HB2  ARG  44           HB2      ARG  44   3.658   0.265  -9.727
  100    HB3  ARG  44           HB3      ARG  44   3.362   0.118  -7.986
  101    HG2  ARG  44           HG2      ARG  44   5.726  -0.627  -7.688
  102    HG3  ARG  44           HG3      ARG  44   5.973  -0.440  -9.431
  103    HD2  ARG  44           HD2      ARG  44   5.426   1.972  -9.263
  104    HD3  ARG  44           HD3      ARG  44   5.150   1.773  -7.517
  105    HE   ARG  44           HE       ARG  44   7.736   0.869  -8.618
  106   HH11  ARG  44          HH11      ARG  44   6.161   3.434  -6.712
  107   HH12  ARG  44          HH12      ARG  44   7.657   3.675  -5.792
  108   HH21  ARG  44          HH21      ARG  44   9.623   1.706  -7.674
  109   HH22  ARG  44          HH22      ARG  44   9.411   2.776  -6.273
  110    H    LEU  45           H        LEU  45   1.803  -1.717  -7.185
  111    HA   LEU  45           HA       LEU  45   3.275  -2.841  -4.994
  112    HB2  LEU  45           HB2      LEU  45   0.300  -2.474  -5.467
  113    HB3  LEU  45           HB3      LEU  45   0.962  -3.107  -3.969
  114    HG   LEU  45           HG       LEU  45   1.490  -0.324  -5.082
  115   HD11  LEU  45          HD11      LEU  45  -0.139  -1.384  -2.739
  116   HD12  LEU  45          HD12      LEU  45  -0.767  -0.636  -4.213
  117   HD13  LEU  45          HD13      LEU  45   0.179   0.330  -3.061
  118   HD21  LEU  45          HD21      LEU  45   2.471  -1.587  -2.497
  119   HD22  LEU  45          HD22      LEU  45   2.530   0.136  -2.885
  120   HD23  LEU  45          HD23      LEU  45   3.471  -0.995  -3.848
  121    H    ARG  46           H        ARG  46   1.043  -4.406  -7.297
  122    HA   ARG  46           HA       ARG  46   1.135  -7.057  -6.133
  123    HB2  ARG  46           HB2      ARG  46   0.620  -6.008  -8.947
  124    HB3  ARG  46           HB3      ARG  46   0.543  -7.726  -8.535
  125    HG2  ARG  46           HG2      ARG  46  -1.257  -7.404  -6.994
  126    HG3  ARG  46           HG3      ARG  46  -1.146  -5.637  -7.104
  127    HD2  ARG  46           HD2      ARG  46  -1.750  -5.753  -9.494
  128    HD3  ARG  46           HD3      ARG  46  -1.883  -7.507  -9.399
  129    HE   ARG  46           HE       ARG  46  -3.664  -5.447  -8.175
  130   HH11  ARG  46          HH11      ARG  46  -3.201  -8.902  -8.761
  131   HH12  ARG  46          HH12      ARG  46  -4.916  -9.217  -8.859
  132   HH21  ARG  46          HH21      ARG  46  -5.861  -6.012  -8.056
  133   HH22  ARG  46          HH22      ARG  46  -6.334  -7.698  -8.204
  134    H    ASN  47           H        ASN  47   3.322  -5.310  -8.335
  135    HA   ASN  47           HA       ASN  47   5.163  -7.580  -8.563
  136    HB2  ASN  47           HB2      ASN  47   5.225  -4.661  -9.327
  137    HB3  ASN  47           HB3      ASN  47   6.722  -5.565  -9.264
  138   HD21  ASN  47          HD21      ASN  47   5.144  -4.409 -11.527
  139   HD22  ASN  47          HD22      ASN  47   5.137  -5.745 -12.680
  140    H    TYR  48           H        TYR  48   5.098  -4.707  -6.373
  141    HA   TYR  48           HA       TYR  48   7.456  -5.205  -4.980
  142    HB2  TYR  48           HB2      TYR  48   4.897  -3.910  -4.337
  143    HB3  TYR  48           HB3      TYR  48   5.858  -4.355  -3.015
  144    HD1  TYR  48           HD1      TYR  48   8.034  -3.376  -2.661
  145    HD2  TYR  48           HD2      TYR  48   5.337  -1.863  -5.603
  146    HE1  TYR  48           HE1      TYR  48   9.220  -1.166  -2.609
  147    HE2  TYR  48           HE2      TYR  48   6.502   0.338  -5.562
  148    HH   TYR  48           HH       TYR  48   9.444   0.850  -3.595
  149    H    LEU  49           H        LEU  49   4.398  -6.955  -4.517
  150    HA   LEU  49           HA       LEU  49   5.399  -8.435  -2.237
  151    HB2  LEU  49           HB2      LEU  49   3.242  -8.935  -4.326
  152    HB3  LEU  49           HB3      LEU  49   3.643 -10.161  -3.123
  153    HG   LEU  49           HG       LEU  49   2.975  -7.351  -2.258
  154   HD11  LEU  49          HD11      LEU  49   0.674  -8.244  -1.841
  155   HD12  LEU  49          HD12      LEU  49   1.107  -9.720  -2.728
  156   HD13  LEU  49          HD13      LEU  49   1.058  -8.147  -3.567
  157   HD21  LEU  49          HD21      LEU  49   2.835 -10.075  -0.919
  158   HD22  LEU  49          HD22      LEU  49   2.331  -8.542  -0.172
  159   HD23  LEU  49          HD23      LEU  49   4.021  -8.814  -0.593
  160    H    LYS  50           H        LYS  50   5.340  -9.381  -5.720
  161    HA   LYS  50           HA       LYS  50   6.755 -11.834  -5.271
  162    HB2  LYS  50           HB2      LYS  50   6.795 -10.164  -7.801
  163    HB3  LYS  50           HB3      LYS  50   7.148 -11.893  -7.606
  164    HG2  LYS  50           HG2      LYS  50   4.817 -12.350  -6.978
  165    HG3  LYS  50           HG3      LYS  50   4.422 -10.634  -7.089
  166    HD2  LYS  50           HD2      LYS  50   5.224 -12.449  -9.395
  167    HD3  LYS  50           HD3      LYS  50   3.623 -11.779  -9.051
  168    HE2  LYS  50           HE2      LYS  50   4.771  -9.449  -9.220
  169    HE3  LYS  50           HE3      LYS  50   6.126 -10.312  -9.961
  170    HZ1  LYS  50           HZ1      LYS  50   3.343 -10.143 -10.933
  171    HZ2  LYS  50           HZ2      LYS  50   4.420 -11.153 -11.617
  172    HZ3  LYS  50           HZ3      LYS  50   4.633  -9.496 -11.663
  173    H    LYS  51           H        LYS  51   7.914  -8.615  -6.100
  174    HA   LYS  51           HA       LYS  51  10.760  -9.203  -6.164
  175    HB2  LYS  51           HB2      LYS  51   9.095  -6.702  -6.127
  176    HB3  LYS  51           HB3      LYS  51  10.870  -6.668  -6.157
  177    HG2  LYS  51           HG2      LYS  51  10.870  -7.873  -8.274
  178    HG3  LYS  51           HG3      LYS  51   9.085  -7.917  -8.267
  179    HD2  LYS  51           HD2      LYS  51   9.051  -5.448  -8.185
  180    HD3  LYS  51           HD3      LYS  51  10.819  -5.391  -8.256
  181    HE2  LYS  51           HE2      LYS  51   9.023  -6.679 -10.353
  182    HE3  LYS  51           HE3      LYS  51   9.598  -5.009 -10.417
  183    HZ1  LYS  51           HZ1      LYS  51  11.023  -6.490 -11.727
  184    HZ2  LYS  51           HZ2      LYS  51  11.888  -5.844 -10.522
  185    HZ3  LYS  51           HZ3      LYS  51  11.383  -7.407 -10.432
  186    H    GLY  52           H        GLY  52   8.646  -8.672  -3.451
  187    HA2  GLY  52           HA2      GLY  52  10.983  -7.787  -1.788
  188    HA3  GLY  52           HA3      GLY  52   9.393  -7.079  -1.711
  189    H    THR  53           H        THR  53   8.386 -10.149  -1.935
  190    HA   THR  53           HA       THR  53   8.926 -10.901   0.896
  191    HB   THR  53           HB       THR  53   6.873 -12.036   0.928
  192    HG1  THR  53           HG1      THR  53   6.539 -11.241  -1.813
  193   HG21  THR  53          HG21      THR  53   5.214 -10.325   0.704
  194   HG22  THR  53          HG22      THR  53   6.298  -9.354  -0.324
  195   HG23  THR  53          HG23      THR  53   6.699  -9.656   1.381
  196    H    LYS  54           H        LYS  54   9.256 -13.158   1.371
  197    HA   LYS  54           HA       LYS  54  10.699 -14.627  -0.629
  198    HB2  LYS  54           HB2      LYS  54   9.533 -15.579   2.014
  199    HB3  LYS  54           HB3      LYS  54  10.635 -16.507   1.008
  200    HG2  LYS  54           HG2      LYS  54  12.441 -15.002   1.342
  201    HG3  LYS  54           HG3      LYS  54  11.402 -13.741   2.023
  202    HD2  LYS  54           HD2      LYS  54  10.918 -15.174   3.979
  203    HD3  LYS  54           HD3      LYS  54  11.996 -16.424   3.319
  204    HE2  LYS  54           HE2      LYS  54  13.880 -14.790   3.368
  205    HE3  LYS  54           HE3      LYS  54  12.792 -13.564   4.043
  206    HZ1  LYS  54           HZ1      LYS  54  13.385 -16.169   5.342
  207    HZ2  LYS  54           HZ2      LYS  54  12.481 -14.971   5.979
  208    HZ3  LYS  54           HZ3      LYS  54  14.097 -14.737   5.785
  209    H    ASN  55           H        ASN  55   7.308 -14.664   0.366
  210    HA   ASN  55           HA       ASN  55   6.642 -16.044  -2.154
  211    HB2  ASN  55           HB2      ASN  55   6.791 -17.829  -0.412
  212    HB3  ASN  55           HB3      ASN  55   5.712 -16.887   0.625
  213   HD21  ASN  55          HD21      ASN  55   4.244 -18.632   0.732
  214   HD22  ASN  55          HD22      ASN  55   3.259 -19.054  -0.678
  215    H    SER  56           H        SER  56   5.463 -14.575  -3.126
  216    HA   SER  56           HA       SER  56   3.710 -12.662  -1.901
  217    HB2  SER  56           HB2      SER  56   4.810 -12.214  -3.961
  218    HB3  SER  56           HB3      SER  56   4.197 -13.669  -4.730
  219    HG   SER  56           HG       SER  56   2.438 -12.650  -5.247
  220    H    ALA  57           H        ALA  57   3.101 -15.971  -3.052
  221    HA   ALA  57           HA       ALA  57   0.370 -15.715  -3.661
  222    HB1  ALA  57           HB1      ALA  57   0.407 -18.168  -3.743
  223    HB2  ALA  57           HB2      ALA  57   1.927 -18.198  -2.828
  224    HB3  ALA  57           HB3      ALA  57   1.880 -17.502  -4.463
  225    H    GLN  58           H        GLN  58   1.547 -15.565  -0.488
  226    HA   GLN  58           HA       GLN  58  -0.782 -16.853   0.765
  227    HB2  GLN  58           HB2      GLN  58   0.321 -16.285   2.851
  228    HB3  GLN  58           HB3      GLN  58   1.436 -17.107   1.760
  229    HG2  GLN  58           HG2      GLN  58   2.375 -14.834   1.115
  230    HG3  GLN  58           HG3      GLN  58   1.359 -14.106   2.340
  231   HE21  GLN  58          HE21      GLN  58   4.403 -14.787   1.727
  232   HE22  GLN  58          HE22      GLN  58   4.943 -15.269   3.321
  233    H    PHE  59           H        PHE  59  -0.060 -13.734  -0.559
  234    HA   PHE  59           HA       PHE  59  -1.637 -12.238   1.407
  235    HB2  PHE  59           HB2      PHE  59  -0.035 -11.417  -1.004
  236    HB3  PHE  59           HB3      PHE  59  -0.976 -10.298  -0.021
  237    HD1  PHE  59           HD1      PHE  59  -0.434  -9.895   2.362
  238    HD2  PHE  59           HD2      PHE  59   2.085 -12.376  -0.093
  239    HE1  PHE  59           HE1      PHE  59   1.328  -9.819   4.098
  240    HE2  PHE  59           HE2      PHE  59   3.870 -12.258   1.618
  241    HZ   PHE  59           HZ       PHE  59   3.491 -10.988   3.715
  242    H    GLU  60           H        GLU  60  -3.414 -10.925   0.991
  243    HA   GLU  60           HA       GLU  60  -5.287 -11.984  -1.119
  244    HB2  GLU  60           HB2      GLU  60  -5.543 -13.178   0.977
  245    HB3  GLU  60           HB3      GLU  60  -5.679 -11.677   1.883
  246    HG2  GLU  60           HG2      GLU  60  -7.791 -11.163   0.713
  247    HG3  GLU  60           HG3      GLU  60  -7.649 -12.660  -0.227
  248    H    LYS  61           H        LYS  61  -4.549  -9.318   1.159
  249    HA   LYS  61           HA       LYS  61  -5.588  -7.430  -0.808
  250    HB2  LYS  61           HB2      LYS  61  -7.154  -6.287   0.541
  251    HB3  LYS  61           HB3      LYS  61  -7.596  -7.983   0.584
  252    HG2  LYS  61           HG2      LYS  61  -6.639  -8.194   2.852
  253    HG3  LYS  61           HG3      LYS  61  -6.077  -6.516   2.794
  254    HD2  LYS  61           HD2      LYS  61  -8.241  -5.630   2.818
  255    HD3  LYS  61           HD3      LYS  61  -8.979  -7.145   2.325
  256    HE2  LYS  61           HE2      LYS  61  -7.610  -6.698   5.012
  257    HE3  LYS  61           HE3      LYS  61  -9.345  -6.525   4.729
  258    HZ1  LYS  61           HZ1      LYS  61  -7.812  -9.061   4.511
  259    HZ2  LYS  61           HZ2      LYS  61  -9.358  -8.895   4.015
  260    HZ3  LYS  61           HZ3      LYS  61  -8.990  -8.667   5.596
  261    H    MET  62           H        MET  62  -5.353  -5.191  -0.011
  262    HA   MET  62           HA       MET  62  -3.029  -4.675   1.719
  263    HB2  MET  62           HB2      MET  62  -1.712  -3.581  -0.010
  264    HB3  MET  62           HB3      MET  62  -2.007  -5.266  -0.437
  265    HG2  MET  62           HG2      MET  62  -3.824  -4.551  -1.981
  266    HG3  MET  62           HG3      MET  62  -3.469  -2.861  -1.587
  267    HE1  MET  62           HE1      MET  62  -2.144  -3.179  -5.260
  268    HE2  MET  62           HE2      MET  62  -3.198  -2.275  -4.148
  269    HE3  MET  62           HE3      MET  62  -3.575  -3.964  -4.572
  270    H    VAL  63           H        VAL  63  -2.679  -2.465   2.160
  271    HA   VAL  63           HA       VAL  63  -4.865  -0.585   1.515
  272    HB   VAL  63           HB       VAL  63  -5.465  -1.754   3.615
  273   HG11  VAL  63          HG11      VAL  63  -4.241  -1.659   5.576
  274   HG12  VAL  63          HG12      VAL  63  -3.051  -0.498   4.901
  275   HG13  VAL  63          HG13      VAL  63  -3.096  -2.173   4.341
  276   HG21  VAL  63          HG21      VAL  63  -4.696   1.156   4.071
  277   HG22  VAL  63          HG22      VAL  63  -5.828   0.188   5.040
  278   HG23  VAL  63          HG23      VAL  63  -6.213   0.560   3.355
  279    H    ILE  64           H        ILE  64  -4.183   1.463   1.261
  280    HA   ILE  64           HA       ILE  64  -1.206   1.896   1.239
  281    HB   ILE  64           HB       ILE  64  -3.289   2.863  -0.751
  282   HG12  ILE  64          HG12      ILE  64  -1.387   0.561  -1.298
  283   HG13  ILE  64          HG13      ILE  64  -3.032   0.283  -0.747
  284   HG21  ILE  64          HG21      ILE  64  -0.244   2.751  -0.913
  285   HG22  ILE  64          HG22      ILE  64  -1.220   4.215  -0.658
  286   HG23  ILE  64          HG23      ILE  64  -1.322   3.353  -2.186
  287   HD11  ILE  64          HD11      ILE  64  -3.933   1.491  -2.697
  288   HD12  ILE  64          HD12      ILE  64  -2.983   0.056  -3.121
  289   HD13  ILE  64          HD13      ILE  64  -2.278   1.664  -3.326
  290    H    LEU  65           H        LEU  65  -0.488   3.829   2.078
  291    HA   LEU  65           HA       LEU  65  -2.507   5.940   2.753
  292    HB2  LEU  65           HB2      LEU  65  -0.063   5.287   4.431
  293    HB3  LEU  65           HB3      LEU  65  -1.353   6.427   4.787
  294    HG   LEU  65           HG       LEU  65  -1.565   3.402   4.814
  295   HD11  LEU  65          HD11      LEU  65  -1.787   3.606   7.193
  296   HD12  LEU  65          HD12      LEU  65  -1.897   5.380   7.110
  297   HD13  LEU  65          HD13      LEU  65  -0.368   4.576   6.751
  298   HD21  LEU  65          HD21      LEU  65  -3.802   3.744   5.804
  299   HD22  LEU  65          HD22      LEU  65  -3.748   4.339   4.148
  300   HD23  LEU  65          HD23      LEU  65  -3.680   5.496   5.490
  301    H    THR  66           H        THR  66  -2.143   7.351   1.129
  302    HA   THR  66           HA       THR  66   0.621   8.083   0.329
  303    HB   THR  66           HB       THR  66  -0.408   9.388  -1.407
  304    HG1  THR  66           HG1      THR  66  -2.190  10.226  -0.396
  305   HG21  THR  66          HG21      THR  66  -0.274   6.931  -1.811
  306   HG22  THR  66          HG22      THR  66  -1.589   7.718  -2.703
  307   HG23  THR  66          HG23      THR  66  -1.956   6.775  -1.243
  308    H    GLU  67           H        GLU  67   1.056  10.533  -0.049
  309    HA   GLU  67           HA       GLU  67   0.568  12.244   2.174
  310    HB2  GLU  67           HB2      GLU  67   0.572  13.275  -0.664
  311    HB3  GLU  67           HB3      GLU  67   1.040  14.100   0.796
  312    HG2  GLU  67           HG2      GLU  67   3.103  12.884   0.940
  313    HG3  GLU  67           HG3      GLU  67   2.635  11.788  -0.365
  314    H    ASN  68           H        ASN  68  -0.965  14.104   2.267
  315    HA   ASN  68           HA       ASN  68  -3.015  15.071   2.260
  316    HB2  ASN  68           HB2      ASN  68  -3.237  13.934  -0.542
  317    HB3  ASN  68           HB3      ASN  68  -4.136  15.291   0.074
  318   HD21  ASN  68          HD21      ASN  68  -1.806  14.766  -1.992
  319   HD22  ASN  68          HD22      ASN  68  -0.614  16.005  -1.565
  320    H    LYS  69           H        LYS  69  -2.793  12.594   3.465
  321    HA   LYS  69           HA       LYS  69  -3.934  10.905   4.457
  322    HB2  LYS  69           HB2      LYS  69  -6.209  12.900   4.192
  323    HB3  LYS  69           HB3      LYS  69  -6.115  11.573   5.360
  324    HG2  LYS  69           HG2      LYS  69  -4.041  12.544   6.321
  325    HG3  LYS  69           HG3      LYS  69  -4.162  13.922   5.222
  326    HD2  LYS  69           HD2      LYS  69  -6.253  13.175   7.298
  327    HD3  LYS  69           HD3      LYS  69  -4.982  14.395   7.498
  328    HE2  LYS  69           HE2      LYS  69  -5.862  15.697   5.619
  329    HE3  LYS  69           HE3      LYS  69  -7.136  14.497   5.339
  330    HZ1  LYS  69           HZ1      LYS  69  -6.818  15.983   7.883
  331    HZ2  LYS  69           HZ2      LYS  69  -8.091  15.013   7.443
  332    HZ3  LYS  69           HZ3      LYS  69  -7.832  16.461   6.688
  333    H    GLY  70           H        GLY  70  -3.927  10.707   1.470
  334    HA2  GLY  70           HA2      GLY  70  -6.316   9.332   0.654
  335    HA3  GLY  70           HA3      GLY  70  -4.739   9.248  -0.120
  336    H    TYR  71           H        TYR  71  -6.711   7.979   2.512
  337    HA   TYR  71           HA       TYR  71  -5.250   5.420   2.689
  338    HB2  TYR  71           HB2      TYR  71  -6.464   6.355   4.632
  339    HB3  TYR  71           HB3      TYR  71  -7.966   6.297   3.736
  340    HD1  TYR  71           HD1      TYR  71  -8.748   3.897   2.897
  341    HD2  TYR  71           HD2      TYR  71  -5.946   4.548   6.137
  342    HE1  TYR  71           HE1      TYR  71  -9.307   1.682   3.859
  343    HE2  TYR  71           HE2      TYR  71  -6.624   2.411   7.139
  344    HH   TYR  71           HH       TYR  71  -8.091   0.678   7.065
  345    H    TYR  72           H        TYR  72  -5.651   3.709   1.373
  346    HA   TYR  72           HA       TYR  72  -8.191   3.464  -0.171
  347    HB2  TYR  72           HB2      TYR  72  -5.423   3.073  -1.375
  348    HB3  TYR  72           HB3      TYR  72  -6.951   2.793  -2.169
  349    HD1  TYR  72           HD1      TYR  72  -4.564   5.373  -0.995
  350    HD2  TYR  72           HD2      TYR  72  -8.224   4.615  -3.160
  351    HE1  TYR  72           HE1      TYR  72  -4.410   7.624  -2.054
  352    HE2  TYR  72           HE2      TYR  72  -8.056   6.846  -4.226
  353    HH   TYR  72           HH       TYR  72  -6.942   8.800  -4.297
  354    H    THR  73           H        THR  73  -8.736   1.243  -0.637
  355    HA   THR  73           HA       THR  73  -6.886  -0.829   0.427
  356    HB   THR  73           HB       THR  73  -8.470  -0.175   2.197
  357    HG1  THR  73           HG1      THR  73  -8.618  -2.128   2.850
  358   HG21  THR  73          HG21      THR  73 -10.593  -1.520   0.484
  359   HG22  THR  73          HG22      THR  73 -10.524   0.221   0.852
  360   HG23  THR  73          HG23      THR  73 -10.770  -0.952   2.157
  361    H    VAL  74           H        VAL  74  -6.829  -2.721  -0.644
  362    HA   VAL  74           HA       VAL  74  -8.509  -3.052  -3.098
  363    HB   VAL  74           HB       VAL  74  -5.467  -3.082  -3.164
  364   HG11  VAL  74          HG11      VAL  74  -6.570  -4.346  -4.964
  365   HG12  VAL  74          HG12      VAL  74  -5.821  -2.888  -5.609
  366   HG13  VAL  74          HG13      VAL  74  -7.579  -2.936  -5.356
  367   HG21  VAL  74          HG21      VAL  74  -5.568  -0.910  -4.395
  368   HG22  VAL  74          HG22      VAL  74  -5.971  -0.773  -2.686
  369   HG23  VAL  74          HG23      VAL  74  -7.267  -0.749  -3.896
  370    H    TYR  75           H        TYR  75  -8.874  -5.186  -3.627
  371    HA   TYR  75           HA       TYR  75  -7.601  -7.263  -1.928
  372    HB2  TYR  75           HB2      TYR  75 -10.048  -7.379  -3.702
  373    HB3  TYR  75           HB3      TYR  75  -9.367  -8.734  -2.829
  374    HD1  TYR  75           HD1      TYR  75 -10.969  -5.384  -2.377
  375    HD2  TYR  75           HD2      TYR  75  -9.732  -9.060  -0.479
  376    HE1  TYR  75           HE1      TYR  75 -12.164  -4.719  -0.300
  377    HE2  TYR  75           HE2      TYR  75 -10.976  -8.411   1.569
  378    HH   TYR  75           HH       TYR  75 -12.092  -6.789   2.635
  379    H    LEU  76           H        LEU  76  -5.914  -8.192  -2.623
  380    HA   LEU  76           HA       LEU  76  -4.958  -8.434  -5.366
  381    HB2  LEU  76           HB2      LEU  76  -4.179  -9.815  -2.760
  382    HB3  LEU  76           HB3      LEU  76  -3.248  -9.883  -4.244
  383    HG   LEU  76           HG       LEU  76  -3.840  -7.214  -2.874
  384   HD11  LEU  76          HD11      LEU  76  -1.647  -7.400  -1.825
  385   HD12  LEU  76          HD12      LEU  76  -1.512  -9.088  -2.391
  386   HD13  LEU  76          HD13      LEU  76  -2.767  -8.627  -1.217
  387   HD21  LEU  76          HD21      LEU  76  -3.023  -7.111  -5.204
  388   HD22  LEU  76          HD22      LEU  76  -1.647  -8.157  -4.770
  389   HD23  LEU  76          HD23      LEU  76  -1.793  -6.529  -4.077
  390    H    ASN  77           H        ASN  77  -7.169 -10.181  -3.368
  391    HA   ASN  77           HA       ASN  77  -7.011 -12.783  -4.432
  392    HB2  ASN  77           HB2      ASN  77  -8.269 -11.868  -2.368
  393    HB3  ASN  77           HB3      ASN  77  -9.545 -11.370  -3.481
  394   HD21  ASN  77          HD21      ASN  77 -11.238 -12.861  -3.051
  395   HD22  ASN  77          HD22      ASN  77 -10.927 -14.586  -2.887
  396    H    THR  78           H        THR  78  -8.030  -9.986  -6.210
  397    HA   THR  78           HA       THR  78  -9.320 -11.634  -8.274
  398    HB   THR  78           HB       THR  78 -11.182  -9.997  -8.455
  399    HG1  THR  78           HG1      THR  78 -11.584  -8.622  -6.763
  400   HG21  THR  78          HG21      THR  78 -11.138 -11.245  -5.682
  401   HG22  THR  78          HG22      THR  78 -11.518 -12.128  -7.180
  402   HG23  THR  78          HG23      THR  78 -12.556 -10.796  -6.644
  403    HA   PRO  79           HA       PRO  79  -7.285  -8.962 -11.178
  404    HB2  PRO  79           HB2      PRO  79 -10.000  -8.690 -12.490
  405    HB3  PRO  79           HB3      PRO  79  -8.415  -9.029 -13.257
  406    HG2  PRO  79           HG2      PRO  79 -10.074 -11.082 -12.838
  407    HG3  PRO  79           HG3      PRO  79  -8.366 -11.249 -12.276
  408    HD2  PRO  79           HD2      PRO  79 -10.767 -10.450 -10.625
  409    HD3  PRO  79           HD3      PRO  79  -9.559 -11.735 -10.322
  410    H    LEU  80           H        LEU  80  -7.041  -6.746 -11.913
  411    HA   LEU  80           HA       LEU  80  -7.792  -4.771 -10.021
  412    HB2  LEU  80           HB2      LEU  80  -5.779  -4.562 -11.245
  413    HB3  LEU  80           HB3      LEU  80  -6.597  -4.774 -12.792
  414    HG   LEU  80           HG       LEU  80  -7.638  -2.527 -12.576
  415   HD11  LEU  80          HD11      LEU  80  -6.906  -0.936 -10.936
  416   HD12  LEU  80          HD12      LEU  80  -5.835  -2.122 -10.160
  417   HD13  LEU  80          HD13      LEU  80  -7.602  -2.307 -10.074
  418   HD21  LEU  80          HD21      LEU  80  -4.619  -2.557 -12.208
  419   HD22  LEU  80          HD22      LEU  80  -5.571  -1.328 -13.066
  420   HD23  LEU  80          HD23      LEU  80  -5.449  -2.987 -13.706
  421    H    ALA  81           H        ALA  81  -9.578  -3.651  -9.744
  422    HA   ALA  81           HA       ALA  81 -11.868  -3.733 -11.488
  423    HB1  ALA  81           HB1      ALA  81 -11.147  -1.925  -9.134
  424    HB2  ALA  81           HB2      ALA  81 -12.016  -3.477  -9.046
  425    HB3  ALA  81           HB3      ALA  81 -12.759  -2.087  -9.858
  426    H    GLU  82           H        GLU  82 -12.473  -2.440 -13.139
  427    HA   GLU  82           HA       GLU  82 -10.826  -0.497 -14.355
  428    HB2  GLU  82           HB2      GLU  82 -12.857   0.099 -15.661
  429    HB3  GLU  82           HB3      GLU  82 -12.469  -1.620 -15.648
  430    HG2  GLU  82           HG2      GLU  82 -14.248  -2.088 -14.064
  431    HG3  GLU  82           HG3      GLU  82 -14.542  -0.368 -13.799
  432    H    ASP  83           H        ASP  83 -13.021   0.002 -11.669
  433    HA   ASP  83           HA       ASP  83 -13.224   2.894 -11.959
  434    HB2  ASP  83           HB2      ASP  83 -13.519   1.002  -9.599
  435    HB3  ASP  83           HB3      ASP  83 -13.759   2.744  -9.473
  436    H    ARG  84           H        ARG  84 -10.853   0.696 -10.428
  437    HA   ARG  84           HA       ARG  84  -9.343   2.868  -9.171
  438    HB2  ARG  84           HB2      ARG  84  -8.807  -0.104  -9.550
  439    HB3  ARG  84           HB3      ARG  84  -7.651   1.004  -8.818
  440    HG2  ARG  84           HG2      ARG  84  -9.441   1.677  -7.146
  441    HG3  ARG  84           HG3      ARG  84 -10.453   0.380  -7.806
  442    HD2  ARG  84           HD2      ARG  84  -8.590  -1.241  -7.264
  443    HD3  ARG  84           HD3      ARG  84  -7.709   0.077  -6.506
  444    HE   ARG  84           HE       ARG  84  -9.369   0.218  -4.754
  445   HH11  ARG  84          HH11      ARG  84  -9.975  -2.588  -6.840
  446   HH12  ARG  84          HH12      ARG  84 -11.168  -3.172  -5.706
  447   HH21  ARG  84          HH21      ARG  84 -10.606  -0.952  -3.297
  448   HH22  ARG  84          HH22      ARG  84 -11.641  -2.237  -3.948
  449    H    LYS  85           H        LYS  85  -9.331   1.358 -12.304
  450    HA   LYS  85           HA       LYS  85  -6.803   2.471 -13.266
  451    HB2  LYS  85           HB2      LYS  85  -9.335   1.584 -14.712
  452    HB3  LYS  85           HB3      LYS  85  -7.882   2.152 -15.526
  453    HG2  LYS  85           HG2      LYS  85  -6.564   0.338 -14.510
  454    HG3  LYS  85           HG3      LYS  85  -8.019  -0.290 -13.713
  455    HD2  LYS  85           HD2      LYS  85  -9.090  -0.720 -15.840
  456    HD3  LYS  85           HD3      LYS  85  -7.800   0.081 -16.739
  457    HE2  LYS  85           HE2      LYS  85  -7.235  -2.317 -14.962
  458    HE3  LYS  85           HE3      LYS  85  -7.855  -2.530 -16.601
  459    HZ1  LYS  85           HZ1      LYS  85  -5.393  -2.575 -16.480
  460    HZ2  LYS  85           HZ2      LYS  85  -5.382  -0.984 -16.029
  461    HZ3  LYS  85           HZ3      LYS  85  -5.974  -1.415 -17.495
  462    H    ASN  86           H        ASN  86  -9.599   4.052 -12.256
  463    HA   ASN  86           HA       ASN  86  -8.980   6.466 -13.922
  464    HB2  ASN  86           HB2      ASN  86 -11.653   5.122 -13.359
  465    HB3  ASN  86           HB3      ASN  86 -11.500   6.753 -14.012
  466   HD21  ASN  86          HD21      ASN  86 -11.432   3.362 -14.837
  467   HD22  ASN  86          HD22      ASN  86 -10.865   3.618 -16.490
  468    H    VAL  87           H        VAL  87  -9.412   5.352 -10.702
  469    HA   VAL  87           HA       VAL  87 -10.313   7.827  -9.511
  470    HB   VAL  87           HB       VAL  87 -10.514   5.487  -8.580
  471   HG11  VAL  87          HG11      VAL  87  -8.090   4.853  -8.868
  472   HG12  VAL  87          HG12      VAL  87  -8.814   4.508  -7.280
  473   HG13  VAL  87          HG13      VAL  87  -7.720   5.891  -7.480
  474   HG21  VAL  87          HG21      VAL  87  -9.340   7.640  -6.775
  475   HG22  VAL  87          HG22      VAL  87 -10.316   6.252  -6.260
  476   HG23  VAL  87          HG23      VAL  87 -11.043   7.504  -7.275
  477    H    GLU  88           H        GLU  88  -9.128   9.652  -8.920
  478    HA   GLU  88           HA       GLU  88  -6.371   9.795  -9.857
  479    HB2  GLU  88           HB2      GLU  88  -8.084  11.791  -8.327
  480    HB3  GLU  88           HB3      GLU  88  -6.457  12.103  -8.954
  481    HG2  GLU  88           HG2      GLU  88  -7.266  11.540 -11.256
  482    HG3  GLU  88           HG3      GLU  88  -8.912  11.455 -10.623
  483    H    LEU  89           H        LEU  89  -4.506   9.733  -8.795
  484    HA   LEU  89           HA       LEU  89  -4.282   8.759  -6.083
  485    HB2  LEU  89           HB2      LEU  89  -2.347   9.794  -8.189
  486    HB3  LEU  89           HB3      LEU  89  -1.778   9.291  -6.624
  487    HG   LEU  89           HG       LEU  89  -3.284   7.482  -8.537
  488   HD11  LEU  89          HD11      LEU  89  -1.122   6.414  -8.934
  489   HD12  LEU  89          HD12      LEU  89  -0.329   7.531  -7.803
  490   HD13  LEU  89          HD13      LEU  89  -1.006   8.138  -9.323
  491   HD21  LEU  89          HD21      LEU  89  -1.892   6.888  -5.897
  492   HD22  LEU  89          HD22      LEU  89  -2.436   5.656  -7.057
  493   HD23  LEU  89          HD23      LEU  89  -3.623   6.691  -6.260
  494    H    LEU  90           H        LEU  90  -4.903  10.020  -4.425
  495    HA   LEU  90           HA       LEU  90  -4.913  12.814  -4.232
  496    HB2  LEU  90           HB2      LEU  90  -4.871  10.568  -2.217
  497    HB3  LEU  90           HB3      LEU  90  -4.852  12.233  -1.661
  498    HG   LEU  90           HG       LEU  90  -6.983  11.265  -3.604
  499   HD11  LEU  90          HD11      LEU  90  -8.449  10.998  -1.619
  500   HD12  LEU  90          HD12      LEU  90  -7.047  11.289  -0.562
  501   HD13  LEU  90          HD13      LEU  90  -7.105   9.852  -1.602
  502   HD21  LEU  90          HD21      LEU  90  -6.879  13.568  -1.601
  503   HD22  LEU  90          HD22      LEU  90  -8.251  13.155  -2.648
  504   HD23  LEU  90          HD23      LEU  90  -6.741  13.727  -3.368
  505    H    GLY  91           H        GLY  91  -2.144  10.735  -3.638
  506    HA2  GLY  91           HA2      GLY  91  -0.302  12.977  -3.594
  507    HA3  GLY  91           HA3      GLY  91  -0.590  12.278  -1.996
  508    H    LYS  92           H        LYS  92   1.931  12.162  -2.671
  509    HA   LYS  92           HA       LYS  92   2.690   9.831  -4.197
  510    HB2  LYS  92           HB2      LYS  92   4.013  12.063  -3.546
  511    HB3  LYS  92           HB3      LYS  92   4.524  11.091  -2.177
  512    HG2  LYS  92           HG2      LYS  92   6.186  10.745  -3.807
  513    HG3  LYS  92           HG3      LYS  92   5.155   9.312  -3.976
  514    HD2  LYS  92           HD2      LYS  92   3.998  10.439  -5.904
  515    HD3  LYS  92           HD3      LYS  92   5.138  11.785  -5.736
  516    HE2  LYS  92           HE2      LYS  92   7.033  10.276  -6.175
  517    HE3  LYS  92           HE3      LYS  92   5.948   8.881  -6.220
  518    HZ1  LYS  92           HZ1      LYS  92   6.492   9.653  -8.461
  519    HZ2  LYS  92           HZ2      LYS  92   5.910  11.141  -8.143
  520    HZ3  LYS  92           HZ3      LYS  92   4.883   9.850  -8.200
  521    H    MET  93           H        MET  93   3.832   7.975  -3.451
  522    HA   MET  93           HA       MET  93   2.160   6.473  -1.674
  523    HB2  MET  93           HB2      MET  93   3.177   5.762  -3.913
  524    HB3  MET  93           HB3      MET  93   4.696   5.538  -3.067
  525    HG2  MET  93           HG2      MET  93   3.418   3.919  -1.514
  526    HG3  MET  93           HG3      MET  93   2.045   4.114  -2.594
  527    HE1  MET  93           HE1      MET  93   5.999   3.580  -3.059
  528    HE2  MET  93           HE2      MET  93   5.982   1.844  -3.428
  529    HE3  MET  93           HE3      MET  93   5.399   2.418  -1.852
  530    H    TYR  94           H        TYR  94   3.052   8.036   0.237
  531    HA   TYR  94           HA       TYR  94   5.490   7.623   1.445
  532    HB2  TYR  94           HB2      TYR  94   3.886   9.295   2.203
  533    HB3  TYR  94           HB3      TYR  94   2.796   8.054   2.764
  534    HD1  TYR  94           HD1      TYR  94   6.484   8.784   3.214
  535    HD2  TYR  94           HD2      TYR  94   2.717   7.820   5.080
  536    HE1  TYR  94           HE1      TYR  94   7.575   8.846   5.445
  537    HE2  TYR  94           HE2      TYR  94   3.797   7.899   7.309
  538    HH   TYR  94           HH       TYR  94   7.283   8.634   7.693
  539    H    LYS  95           H        LYS  95   2.618   5.514   2.090
  540    HA   LYS  95           HA       LYS  95   4.453   3.350   2.975
  541    HB2  LYS  95           HB2      LYS  95   3.656   5.007   4.918
  542    HB3  LYS  95           HB3      LYS  95   2.138   4.158   4.749
  543    HG2  LYS  95           HG2      LYS  95   3.152   2.969   6.454
  544    HG3  LYS  95           HG3      LYS  95   3.581   1.975   5.072
  545    HD2  LYS  95           HD2      LYS  95   5.536   2.168   6.405
  546    HD3  LYS  95           HD3      LYS  95   5.806   3.237   5.024
  547    HE2  LYS  95           HE2      LYS  95   5.060   5.183   6.478
  548    HE3  LYS  95           HE3      LYS  95   4.832   4.045   7.814
  549    HZ1  LYS  95           HZ1      LYS  95   7.402   4.819   6.559
  550    HZ2  LYS  95           HZ2      LYS  95   7.269   3.557   7.632
  551    HZ3  LYS  95           HZ3      LYS  95   6.920   5.075   8.104
  552    H    THR  96           H        THR  96   3.546   1.270   2.870
  553    HA   THR  96           HA       THR  96   0.640   0.977   2.271
  554    HB   THR  96           HB       THR  96   2.753  -0.543   0.687
  555    HG1  THR  96           HG1      THR  96   2.463   1.687   0.226
  556   HG21  THR  96          HG21      THR  96   0.824  -1.156  -0.755
  557   HG22  THR  96          HG22      THR  96  -0.280  -0.387   0.402
  558   HG23  THR  96          HG23      THR  96   0.643  -1.828   0.856
  559    H    TYR  97           H        TYR  97  -0.212  -0.941   2.914
  560    HA   TYR  97           HA       TYR  97   1.454  -2.824   4.523
  561    HB2  TYR  97           HB2      TYR  97  -1.277  -1.917   5.442
  562    HB3  TYR  97           HB3      TYR  97  -0.082  -2.854   6.252
  563    HD1  TYR  97           HD1      TYR  97  -0.479   0.643   4.860
  564    HD2  TYR  97           HD2      TYR  97   1.035  -1.891   7.986
  565    HE1  TYR  97           HE1      TYR  97   0.362   2.622   6.082
  566    HE2  TYR  97           HE2      TYR  97   1.803   0.091   9.249
  567    HH   TYR  97           HH       TYR  97   1.941   2.384   9.297
  568    H    PHE  98           H        PHE  98   0.662  -4.944   4.652
  569    HA   PHE  98           HA       PHE  98  -1.337  -5.799   2.573
  570    HB2  PHE  98           HB2      PHE  98   1.555  -6.614   2.977
  571    HB3  PHE  98           HB3      PHE  98   0.437  -7.521   1.992
  572    HD1  PHE  98           HD1      PHE  98   2.287  -4.284   2.231
  573    HD2  PHE  98           HD2      PHE  98  -0.106  -6.901  -0.204
  574    HE1  PHE  98           HE1      PHE  98   2.917  -2.985   0.197
  575    HE2  PHE  98           HE2      PHE  98   0.588  -5.649  -2.243
  576    HZ   PHE  98           HZ       PHE  98   2.125  -3.723  -2.038
  577    H    PHE  99           H        PHE  99  -2.351  -7.744   2.869
  578    HA   PHE  99           HA       PHE  99  -2.080  -9.041   5.565
  579    HB2  PHE  99           HB2      PHE  99  -4.561  -8.474   3.902
  580    HB3  PHE  99           HB3      PHE  99  -4.541  -9.236   5.476
  581    HD1  PHE  99           HD1      PHE  99  -4.014  -6.031   3.635
  582    HD2  PHE  99           HD2      PHE  99  -4.439  -7.888   7.506
  583    HE1  PHE  99           HE1      PHE  99  -4.356  -3.851   4.634
  584    HE2  PHE  99           HE2      PHE  99  -4.707  -5.630   8.524
  585    HZ   PHE  99           HZ       PHE  99  -4.550  -3.607   7.095
  586    H    LYS 100           H        LYS 100  -1.991 -11.216   5.634
  587    HA   LYS 100           HA       LYS 100  -2.020 -12.828   3.219
  588    HB2  LYS 100           HB2      LYS 100  -1.932 -13.614   6.130
  589    HB3  LYS 100           HB3      LYS 100  -1.753 -14.740   4.760
  590    HG2  LYS 100           HG2      LYS 100   0.315 -14.126   4.251
  591    HG3  LYS 100           HG3      LYS 100   0.096 -12.421   4.597
  592    HD2  LYS 100           HD2      LYS 100   0.237 -12.927   7.040
  593    HD3  LYS 100           HD3      LYS 100   0.470 -14.645   6.639
  594    HE2  LYS 100           HE2      LYS 100   2.467 -13.765   5.183
  595    HE3  LYS 100           HE3      LYS 100   2.335 -12.293   6.149
  596    HZ1  LYS 100           HZ1      LYS 100   2.684 -15.020   7.275
  597    HZ2  LYS 100           HZ2      LYS 100   2.698 -13.626   8.135
  598    HZ3  LYS 100           HZ3      LYS 100   3.918 -13.952   7.088
  599    H    LYS 101           H        LYS 101  -3.347 -14.706   2.857
  600    HA   LYS 101           HA       LYS 101  -6.180 -14.232   2.918
  601    HB2  LYS 101           HB2      LYS 101  -6.386 -16.275   1.650
  602    HB3  LYS 101           HB3      LYS 101  -5.112 -15.255   1.023
  603    HG2  LYS 101           HG2      LYS 101  -3.462 -16.775   2.338
  604    HG3  LYS 101           HG3      LYS 101  -4.829 -17.898   2.453
  605    HD2  LYS 101           HD2      LYS 101  -5.069 -17.865  -0.022
  606    HD3  LYS 101           HD3      LYS 101  -3.728 -16.705  -0.133
  607    HE2  LYS 101           HE2      LYS 101  -2.256 -18.414   1.012
  608    HE3  LYS 101           HE3      LYS 101  -3.578 -19.573   0.878
  609    HZ1  LYS 101           HZ1      LYS 101  -3.467 -19.384  -1.533
  610    HZ2  LYS 101           HZ2      LYS 101  -1.957 -19.685  -0.984
  611    HZ3  LYS 101           HZ3      LYS 101  -2.337 -18.180  -1.447
  612    H    GLY 102           H        GLY 102  -5.832 -13.984   5.351
  613    HA2  GLY 102           HA2      GLY 102  -7.549 -15.504   6.867
  614    HA3  GLY 102           HA3      GLY 102  -5.998 -16.355   7.029
  615    H    GLU 103           H        GLU 103  -6.686 -12.811   6.749
  616    HA   GLU 103           HA       GLU 103  -5.492 -12.327   9.405
  617    HB2  GLU 103           HB2      GLU 103  -3.670 -12.745   7.618
  618    HB3  GLU 103           HB3      GLU 103  -4.183 -11.203   6.904
  619    HG2  GLU 103           HG2      GLU 103  -3.530  -9.972   8.800
  620    HG3  GLU 103           HG3      GLU 103  -3.371 -11.427   9.801
  621    H    SER 104           H        SER 104  -5.769 -10.309  10.189
  622    HA   SER 104           HA       SER 104  -7.114  -8.134   8.653
  623    HB2  SER 104           HB2      SER 104  -8.057  -9.123  11.321
  624    HB3  SER 104           HB3      SER 104  -8.698  -7.752  10.412
  625    HG   SER 104           HG       SER 104  -8.794 -10.526   9.749
  626    H    LYS 105           H        LYS 105  -4.390  -8.909  10.173
  627    HA   LYS 105           HA       LYS 105  -3.864  -6.033  10.645
  628    HB2  LYS 105           HB2      LYS 105  -4.147  -6.909  12.878
  629    HB3  LYS 105           HB3      LYS 105  -2.974  -8.237  12.539
  630    HG2  LYS 105           HG2      LYS 105  -1.165  -6.698  12.375
  631    HG3  LYS 105           HG3      LYS 105  -2.218  -5.295  12.362
  632    HD2  LYS 105           HD2      LYS 105  -1.368  -5.379  14.555
  633    HD3  LYS 105           HD3      LYS 105  -2.998  -6.032  14.736
  634    HE2  LYS 105           HE2      LYS 105  -2.155  -8.295  14.773
  635    HE3  LYS 105           HE3      LYS 105  -0.560  -7.743  14.221
  636    HZ1  LYS 105           HZ1      LYS 105  -0.407  -8.151  16.546
  637    HZ2  LYS 105           HZ2      LYS 105  -1.702  -7.200  16.911
  638    HZ3  LYS 105           HZ3      LYS 105  -0.324  -6.546  16.335
  639    H    SER 106           H        SER 106  -2.238  -5.425   9.377
  640    HA   SER 106           HA       SER 106  -1.469  -7.352   7.410
  641    HB2  SER 106           HB2      SER 106  -0.028  -5.212   6.692
  642    HB3  SER 106           HB3      SER 106  -1.766  -5.357   6.405
  643    HG   SER 106           HG       SER 106  -2.191  -4.039   8.132
  644    H    SER 107           H        SER 107   0.134  -8.756   7.445
  645    HA   SER 107           HA       SER 107   2.421  -8.584   9.248
  646    HB2  SER 107           HB2      SER 107   1.286 -10.702   8.722
  647    HB3  SER 107           HB3      SER 107   1.617 -10.489   7.007
  648    HG   SER 107           HG       SER 107   3.679 -10.659   8.959
  649    H    TYR 108           H        TYR 108   1.983  -7.554   5.952
  650    HA   TYR 108           HA       TYR 108   4.938  -7.101   5.755
  651    HB2  TYR 108           HB2      TYR 108   4.408  -8.948   4.345
  652    HB3  TYR 108           HB3      TYR 108   3.037  -8.115   3.643
  653    HD1  TYR 108           HD1      TYR 108   6.749  -7.712   4.039
  654    HD2  TYR 108           HD2      TYR 108   3.321  -7.208   1.507
  655    HE1  TYR 108           HE1      TYR 108   8.248  -7.039   2.143
  656    HE2  TYR 108           HE2      TYR 108   4.799  -6.612  -0.388
  657    HH   TYR 108           HH       TYR 108   6.990  -6.504  -1.155
  658    H    VAL 109           H        VAL 109   5.592  -5.248   4.940
  659    HA   VAL 109           HA       VAL 109   3.702  -3.073   4.220
  660    HB   VAL 109           HB       VAL 109   5.151  -1.698   5.983
  661   HG11  VAL 109          HG11      VAL 109   3.469  -1.998   7.680
  662   HG12  VAL 109          HG12      VAL 109   2.811  -3.413   6.818
  663   HG13  VAL 109          HG13      VAL 109   2.796  -1.792   6.053
  664   HG21  VAL 109          HG21      VAL 109   4.930  -4.383   7.423
  665   HG22  VAL 109          HG22      VAL 109   5.679  -2.880   7.994
  666   HG23  VAL 109          HG23      VAL 109   6.407  -3.788   6.648
  667    H    ILE 110           H        ILE 110   4.717  -1.162   3.444
  668    HA   ILE 110           HA       ILE 110   7.534  -1.487   2.479
  669    HB   ILE 110           HB       ILE 110   5.132  -0.924   0.744
  670   HG12  ILE 110          HG12      ILE 110   6.488  -3.571   1.296
  671   HG13  ILE 110          HG13      ILE 110   4.782  -3.183   1.334
  672   HG21  ILE 110          HG21      ILE 110   7.999  -1.628  -0.060
  673   HG22  ILE 110          HG22      ILE 110   7.307   0.003  -0.123
  674   HG23  ILE 110          HG23      ILE 110   6.661  -1.232  -1.161
  675   HD11  ILE 110          HD11      ILE 110   5.044  -4.483  -0.556
  676   HD12  ILE 110          HD12      ILE 110   6.568  -3.719  -0.998
  677   HD13  ILE 110          HD13      ILE 110   5.008  -2.851  -1.226
  678    H    ASN 111           H        ASN 111   8.564   0.371   1.916
  679    HA   ASN 111           HA       ASN 111   7.293   2.919   2.849
  680    HB2  ASN 111           HB2      ASN 111  10.228   2.115   2.604
  681    HB3  ASN 111           HB3      ASN 111   9.615   3.622   3.283
  682   HD21  ASN 111          HD21      ASN 111   8.012   3.302   5.117
  683   HD22  ASN 111          HD22      ASN 111   8.517   2.110   6.332
  684    H    GLY 112           H        GLY 112   7.302   4.743   1.577
  685    HA2  GLY 112           HA2      GLY 112   8.971   4.865  -0.837
  686    HA3  GLY 112           HA3      GLY 112   7.223   4.841  -1.111
  687    HA   PRO 113           HA       PRO 113   8.879   9.159  -0.353
  688    HB2  PRO 113           HB2      PRO 113   8.214  10.315  -2.730
  689    HB3  PRO 113           HB3      PRO 113   9.696   9.337  -2.517
  690    HG2  PRO 113           HG2      PRO 113   7.042   8.420  -3.659
  691    HG3  PRO 113           HG3      PRO 113   8.660   8.179  -4.336
  692    HD2  PRO 113           HD2      PRO 113   7.343   6.305  -2.851
  693    HD3  PRO 113           HD3      PRO 113   9.121   6.467  -2.781
  694    H    GLY 114           H        GLY 114   7.766  10.672   0.464
  695    HA2  GLY 114           HA2      GLY 114   5.492  11.975  -0.122
  696    HA3  GLY 114           HA3      GLY 114   4.837  10.606   0.767
  697    H    LYS 115           H        LYS 115   7.508  10.756   2.437
  698    HA   LYS 115           HA       LYS 115   8.109  11.372   4.503
  699    HB2  LYS 115           HB2      LYS 115   7.508  14.021   3.206
  700    HB3  LYS 115           HB3      LYS 115   8.116  13.942   4.866
  701    HG2  LYS 115           HG2      LYS 115  10.086  12.656   4.086
  702    HG3  LYS 115           HG3      LYS 115   9.513  12.769   2.420
  703    HD2  LYS 115           HD2      LYS 115  10.224  15.121   4.236
  704    HD3  LYS 115           HD3      LYS 115  11.265  14.462   2.981
  705    HE2  LYS 115           HE2      LYS 115   8.528  15.734   2.480
  706    HE3  LYS 115           HE3      LYS 115  10.078  16.559   2.313
  707    HZ1  LYS 115           HZ1      LYS 115   9.247  14.199   0.715
  708    HZ2  LYS 115           HZ2      LYS 115  10.698  14.927   0.611
  709    HZ3  LYS 115           HZ3      LYS 115   9.326  15.736   0.174
  710    H    THR 116           H        THR 116   4.794  12.201   3.878
  711    HA   THR 116           HA       THR 116   3.990  11.592   6.589
  712    HB   THR 116           HB       THR 116   4.787  13.899   6.923
  713    HG1  THR 116           HG1      THR 116   3.203  14.223   8.129
  714   HG21  THR 116          HG21      THR 116   2.698  14.789   4.892
  715   HG22  THR 116          HG22      THR 116   4.461  14.862   4.658
  716   HG23  THR 116          HG23      THR 116   3.695  15.827   5.930
  717    H    ASN 117           H        ASN 117   1.700  11.400   6.741
  718    HA   ASN 117           HA       ASN 117   0.232  11.286   4.164
  719    HB2  ASN 117           HB2      ASN 117  -0.516  10.537   7.014
  720    HB3  ASN 117           HB3      ASN 117  -1.561  10.321   5.604
  721   HD21  ASN 117          HD21      ASN 117  -0.299   9.173   3.702
  722   HD22  ASN 117          HD22      ASN 117   0.616   7.755   4.179
  723    H    GLU 118           H        GLU 118   0.731  13.519   6.815
  724    HA   GLU 118           HA       GLU 118  -1.824  14.922   6.488
  725    HB2  GLU 118           HB2      GLU 118   0.655  15.447   8.147
  726    HB3  GLU 118           HB3      GLU 118  -0.766  16.502   8.144
  727    HG2  GLU 118           HG2      GLU 118  -2.175  14.656   8.954
  728    HG3  GLU 118           HG3      GLU 118  -0.786  13.560   8.932
  729    H    TYR 119           H        TYR 119  -1.984  15.781   4.448
  730    HA   TYR 119           HA       TYR 119  -1.862  17.336   2.855
  731    HB2  TYR 119           HB2      TYR 119  -2.635  18.447   4.959
  732    HB3  TYR 119           HB3      TYR 119  -1.001  19.034   5.215
  733    HD1  TYR 119           HD1      TYR 119  -3.485  18.998   2.344
  734    HD2  TYR 119           HD2      TYR 119  -0.840  21.316   4.843
  735    HE1  TYR 119           HE1      TYR 119  -4.077  21.062   1.074
  736    HE2  TYR 119           HE2      TYR 119  -1.449  23.361   3.586
  737    HH   TYR 119           HH       TYR 119  -2.496  24.203   1.728
  738    H    ALA 120           H        ALA 120   0.588  15.946   3.022
  739    HA   ALA 120           HA       ALA 120   2.801  15.928   2.443
  740    HB1  ALA 120           HB1      ALA 120   3.258  16.877   0.227
  741    HB2  ALA 120           HB2      ALA 120   1.856  17.954   0.364
  742    HB3  ALA 120           HB3      ALA 120   1.621  16.202   0.246
  743    H    TYR 121           H        TYR 121   2.341  17.676   4.623
  744    HA   TYR 121           HA       TYR 121   3.962  20.109   4.045
  745    HB2  TYR 121           HB2      TYR 121   1.542  20.334   4.492
  746    HB3  TYR 121           HB3      TYR 121   1.764  19.623   6.072
  747    HD1  TYR 121           HD1      TYR 121   4.124  22.186   4.623
  748    HD2  TYR 121           HD2      TYR 121   0.747  21.451   7.205
  749    HE1  TYR 121           HE1      TYR 121   4.193  24.547   5.400
  750    HE2  TYR 121           HE2      TYR 121   0.859  23.798   8.004
  751    HH   TYR 121           HH       TYR 121   1.759  25.845   7.682
  752    H1   ACE   6           H1       ACE   6  18.210  -6.584  -3.200
  753    H2   ACE   6           H2       ACE   6  17.289  -7.012  -4.659
  754    H3   ACE   6           H3       ACE   6  16.620  -5.842  -3.501
  755    H    THR   7           H        THR   7  16.611  -4.999  -5.958
  756    HA   THR   7           HA       THR   7  18.794  -2.980  -6.125
  757    HB   THR   7           HB       THR   7  19.331  -4.981  -7.529
  758    HG1  THR   7           HG1      THR   7  19.076  -3.097  -9.449
  759   HG21  THR   7          HG21      THR   7  17.036  -4.038  -9.301
  760   HG22  THR   7          HG22      THR   7  17.093  -5.560  -8.384
  761   HG23  THR   7          HG23      THR   7  18.244  -5.270  -9.696
  762    H    THR   8           H        THR   8  15.881  -2.963  -5.432
  763    HA   THR   8           HA       THR   8  15.026  -0.742  -7.215
  764    HB   THR   8           HB       THR   8  12.672  -1.719  -7.138
  765    HG1  THR   8           HG1      THR   8  12.482  -3.434  -6.009
  766   HG21  THR   8          HG21      THR   8  14.736  -3.339  -8.650
  767   HG22  THR   8          HG22      THR   8  14.064  -1.769  -9.156
  768   HG23  THR   8          HG23      THR   8  13.002  -3.181  -9.015
  769    HA   PRO   9           HA       PRO   9  14.046   1.643  -3.817
  770    HB2  PRO   9           HB2      PRO   9  11.256   2.068  -4.830
  771    HB3  PRO   9           HB3      PRO   9  12.438   3.285  -4.276
  772    HG2  PRO   9           HG2      PRO   9  12.077   2.877  -6.918
  773    HG3  PRO   9           HG3      PRO   9  13.745   3.022  -6.272
  774    HD2  PRO   9           HD2      PRO   9  12.196   0.520  -6.969
  775    HD3  PRO   9           HD3      PRO   9  13.879   0.950  -7.363
  776    H    ASP  10           H        ASP  10  14.055   0.534  -2.038
  777    HA   ASP  10           HA       ASP  10  13.438  -0.266  -0.035
  778    HB2  ASP  10           HB2      ASP  10  11.576   1.364  -0.078
  779    HB3  ASP  10           HB3      ASP  10  10.525   0.102  -0.728
  780    H2   TYS  11           H2       TYS  11  11.063  -1.466  -1.963
  781    HA   TYS  11           HA       TYS  11   9.951  -3.458  -2.178
  782    HB2  TYS  11           HB2      TYS  11  12.660  -4.346  -3.059
  783    HB3  TYS  11           HB3      TYS  11  11.291  -5.457  -2.999
  784    HD1  TYS  11           HD1      TYS  11   9.469  -5.306  -4.628
  785    HD2  TYS  11           HD2      TYS  11  12.116  -2.001  -4.085
  786    HE1  TYS  11           HE1      TYS  11   8.418  -4.199  -6.469
  787    HE2  TYS  11           HE2      TYS  11  10.746  -0.716  -5.626
  788    H    GLY  12           H        GLY  12   9.690  -2.789  -0.245
  789    HA2  GLY  12           HA2      GLY  12   8.629  -3.182   1.623
  790    HA3  GLY  12           HA3      GLY  12   8.452  -4.800   0.979
  791    H    HIS  13           H        HIS  13   8.249  -4.504   3.645
  792    HA   HIS  13           HA       HIS  13  10.398  -6.238   4.642
  793    HB2  HIS  13           HB2      HIS  13  10.516  -5.046   6.760
  794    HB3  HIS  13           HB3      HIS  13  11.242  -4.111   5.458
  795    HD1  HIS  13           HD1      HIS  13   9.761  -1.967   4.557
  796    HD2  HIS  13           HD2      HIS  13   8.516  -3.795   8.168
  797    HE1  HIS  13           HE1      HIS  13   7.884  -0.474   5.536
  798    HE2  HIS  13           HE2      HIS  13   7.372  -1.427   7.879
  799    H2   TYS  14           H2       TYS  14   9.719  -7.440   6.539
  800    HA   TYS  14           HA       TYS  14   6.752  -7.396   6.943
  801    HB2  TYS  14           HB2      TYS  14   8.821  -9.549   7.470
  802    HB3  TYS  14           HB3      TYS  14   7.203  -9.588   8.113
  803    HD1  TYS  14           HD1      TYS  14   8.855  -9.215   4.622
  804    HD2  TYS  14           HD2      TYS  14   5.488 -10.613   6.960
  805    HE1  TYS  14           HE1      TYS  14   8.296 -10.742   2.898
  806    HE2  TYS  14           HE2      TYS  14   4.920 -12.162   5.144
  807    H    ASP  15           H        ASP  15   5.796  -7.182   8.812
  808    HA   ASP  15           HA       ASP  15   7.350  -6.452  11.184
  809    HB2  ASP  15           HB2      ASP  15   7.064  -4.398   9.547
  810    HB3  ASP  15           HB3      ASP  15   5.464  -4.318  10.202
  811    H    ASP  16           H        ASP  16   5.963  -5.843  12.986
  812    HA   ASP  16           HA       ASP  16   3.345  -7.254  13.123
  813    HB2  ASP  16           HB2      ASP  16   5.913  -8.149  14.475
  814    HB3  ASP  16           HB3      ASP  16   4.367  -8.447  15.252
  815    H    LYS  17           H        LYS  17   4.993  -4.543  13.811
  816    HA   LYS  17           HA       LYS  17   3.103  -3.739  15.967
  817    HB2  LYS  17           HB2      LYS  17   4.906  -2.644  17.240
  818    HB3  LYS  17           HB3      LYS  17   5.022  -4.402  17.198
  819    HG2  LYS  17           HG2      LYS  17   6.713  -4.012  15.230
  820    HG3  LYS  17           HG3      LYS  17   6.755  -2.351  15.788
  821    HD2  LYS  17           HD2      LYS  17   8.624  -3.625  16.644
  822    HD3  LYS  17           HD3      LYS  17   7.584  -3.171  18.006
  823    HE2  LYS  17           HE2      LYS  17   6.738  -5.403  18.212
  824    HE3  LYS  17           HE3      LYS  17   7.334  -5.866  16.606
  825    HZ1  LYS  17           HZ1      LYS  17   9.526  -5.966  17.390
  826    HZ2  LYS  17           HZ2      LYS  17   9.222  -5.094  18.744
  827    HZ3  LYS  17           HZ3      LYS  17   8.676  -6.609  18.654
  828    H    ASP  18           H        ASP  18   5.181  -2.799  13.285
  829    HA   ASP  18           HA       ASP  18   3.628  -0.240  13.074
  830    HB2  ASP  18           HB2      ASP  18   6.172  -1.140  11.687
  831    HB3  ASP  18           HB3      ASP  18   5.256   0.314  11.306
  832    H    THR  19           H        THR  19   1.907  -1.896  12.783
  833    HA   THR  19           HA       THR  19   1.496  -2.763   9.952
  834    HB   THR  19           HB       THR  19   1.574  -4.754  11.340
  835    HG1  THR  19           HG1      THR  19   0.117  -5.169  10.130
  836   HG21  THR  19          HG21      THR  19  -0.457  -3.602  13.229
  837   HG22  THR  19          HG22      THR  19   1.283  -3.660  13.585
  838   HG23  THR  19          HG23      THR  19   0.429  -5.152  13.300
  839    H    LEU  20           H        LEU  20  -0.879  -2.794   9.315
  840    HA   LEU  20           HA       LEU  20  -2.432  -0.538  10.471
  841    HB2  LEU  20           HB2      LEU  20  -1.584  -0.230   8.132
  842    HB3  LEU  20           HB3      LEU  20  -2.461  -1.670   7.639
  843    HG   LEU  20           HG       LEU  20  -3.485   0.301   6.889
  844   HD11  LEU  20          HD11      LEU  20  -5.176  -0.718   9.160
  845   HD12  LEU  20          HD12      LEU  20  -4.922  -1.489   7.583
  846   HD13  LEU  20          HD13      LEU  20  -5.713   0.084   7.657
  847   HD21  LEU  20          HD21      LEU  20  -2.556   1.870   8.566
  848   HD22  LEU  20          HD22      LEU  20  -3.748   1.289   9.750
  849   HD23  LEU  20          HD23      LEU  20  -4.286   2.117   8.267
  850    H    ASP  21           H        ASP  21  -3.510  -1.567  11.954
  851    HA   ASP  21           HA       ASP  21  -4.497  -4.305  11.659
  852    HB2  ASP  21           HB2      ASP  21  -4.788  -4.381  13.957
  853    HB3  ASP  21           HB3      ASP  21  -3.202  -3.699  13.639
  854    H    LEU  22           H        LEU  22  -6.191  -4.463  10.541
  855    HA   LEU  22           HA       LEU  22  -8.370  -2.588  10.285
  856    HB2  LEU  22           HB2      LEU  22  -7.308  -5.036   9.070
  857    HB3  LEU  22           HB3      LEU  22  -9.044  -5.201   9.278
  858    HG   LEU  22           HG       LEU  22  -9.341  -3.166   7.862
  859   HD11  LEU  22          HD11      LEU  22  -7.452  -1.816   8.450
  860   HD12  LEU  22          HD12      LEU  22  -7.107  -2.337   6.790
  861   HD13  LEU  22          HD13      LEU  22  -6.322  -3.146   8.177
  862   HD21  LEU  22          HD21      LEU  22  -7.209  -5.061   6.761
  863   HD22  LEU  22          HD22      LEU  22  -8.324  -4.068   5.801
  864   HD23  LEU  22          HD23      LEU  22  -8.961  -5.408   6.792
  865    H    ASN  23           H        ASN  23  -7.745  -4.210  12.984
  866    HA   ASN  23           HA       ASN  23 -10.420  -5.422  13.393
  867    HB2  ASN  23           HB2      ASN  23  -7.719  -5.742  14.736
  868    HB3  ASN  23           HB3      ASN  23  -9.180  -6.529  15.305
  869   HD21  ASN  23          HD21      ASN  23  -6.548  -7.355  13.953
  870   HD22  ASN  23          HD22      ASN  23  -7.184  -8.762  13.103
  871    H    THR  24           H        THR  24  -8.331  -2.957  15.077
  872    HA   THR  24           HA       THR  24 -10.506  -2.498  17.033
  873    HB   THR  24           HB       THR  24  -9.271  -4.668  17.468
  874    HG1  THR  24           HG1      THR  24  -9.644  -4.520  19.506
  875   HG21  THR  24          HG21      THR  24  -7.210  -4.618  18.717
  876   HG22  THR  24          HG22      THR  24  -7.119  -2.852  18.603
  877   HG23  THR  24          HG23      THR  24  -6.974  -3.843  17.138
  878    HA   PRO  25           HA       PRO  25  -6.459   0.198  17.486
  879    HB2  PRO  25           HB2      PRO  25  -6.441   2.249  15.627
  880    HB3  PRO  25           HB3      PRO  25  -5.718   0.635  15.362
  881    HG2  PRO  25           HG2      PRO  25  -8.461   1.567  14.499
  882    HG3  PRO  25           HG3      PRO  25  -7.198   0.726  13.545
  883    HD2  PRO  25           HD2      PRO  25  -9.201  -0.701  14.641
  884    HD3  PRO  25           HD3      PRO  25  -7.514  -1.300  14.682
  885    H    VAL  26           H        VAL  26  -6.478   1.640  19.097
  886    HA   VAL  26           HA       VAL  26  -8.057   4.059  19.096
  887    HB   VAL  26           HB       VAL  26  -9.810   2.527  19.783
  888   HG11  VAL  26          HG11      VAL  26  -9.856   1.280  21.829
  889   HG12  VAL  26          HG12      VAL  26  -8.220   1.798  22.260
  890   HG13  VAL  26          HG13      VAL  26  -8.482   0.743  20.857
  891   HG21  VAL  26          HG21      VAL  26 -10.536   3.627  21.849
  892   HG22  VAL  26          HG22      VAL  26  -9.912   4.769  20.653
  893   HG23  VAL  26          HG23      VAL  26  -8.918   4.321  22.055
  894    H    ASP  27           H        ASP  27  -6.805   5.552  20.000
  895    HA   ASP  27           HA       ASP  27  -4.391   4.634  21.548
  896    HB2  ASP  27           HB2      ASP  27  -4.539   6.571  19.213
  897    HB3  ASP  27           HB3      ASP  27  -3.083   6.163  20.120
  898    H    LYS  28           H        LYS  28  -7.003   6.703  21.759
  899    HA   LYS  28           HA       LYS  28  -5.689   8.167  23.973
  900    HB2  LYS  28           HB2      LYS  28  -6.810  10.310  23.269
  901    HB3  LYS  28           HB3      LYS  28  -5.393   9.807  22.357
  902    HG2  LYS  28           HG2      LYS  28  -6.797   9.027  20.493
  903    HG3  LYS  28           HG3      LYS  28  -8.263   9.416  21.394
  904    HD2  LYS  28           HD2      LYS  28  -7.865  11.151  19.791
  905    HD3  LYS  28           HD3      LYS  28  -7.566  11.828  21.403
  906    HE2  LYS  28           HE2      LYS  28  -5.148  11.575  21.101
  907    HE3  LYS  28           HE3      LYS  28  -5.392  10.723  19.566
  908    HZ1  LYS  28           HZ1      LYS  28  -4.834  13.042  19.195
  909    HZ2  LYS  28           HZ2      LYS  28  -6.124  13.562  20.062
  910    HZ3  LYS  28           HZ3      LYS  28  -6.348  12.748  18.655
  911    HN1  NH2  29           HN1      NH2  29  -6.764   6.723  25.287
  912    HN2  NH2  29           HN2      NH2  29  -8.480   6.884  25.590
  Start of MODEL   13
    1    H1   ASN  31           H1       ASN  31  -1.110  15.885 -20.390
    2    H2   ASN  31           H2       ASN  31  -1.085  17.356 -21.116
    3    H3   ASN  31           H3       ASN  31   0.207  16.346 -21.239
    4    HA   ASN  31           HA       ASN  31   0.754  18.063 -19.718
    5    HB2  ASN  31           HB2      ASN  31  -1.661  17.121 -18.094
    6    HB3  ASN  31           HB3      ASN  31  -0.466  18.305 -17.600
    7   HD21  ASN  31          HD21      ASN  31  -1.524  20.307 -17.594
    8   HD22  ASN  31          HD22      ASN  31  -2.530  20.854 -18.934
    9    H    SER  32           H        SER  32  -0.677  15.032 -18.385
   10    HA   SER  32           HA       SER  32   1.577  14.594 -16.635
   11    HB2  SER  32           HB2      SER  32  -0.930  14.116 -16.257
   12    HB3  SER  32           HB3      SER  32  -0.655  12.636 -17.186
   13    HG   SER  32           HG       SER  32  -0.366  12.284 -14.969
   14    H    GLY  33           H        GLY  33   2.275  12.223 -16.371
   15    HA2  GLY  33           HA2      GLY  33   2.808  10.530 -18.576
   16    HA3  GLY  33           HA3      GLY  33   4.186  11.628 -18.417
   17    H    LEU  34           H        LEU  34   4.148  11.824 -15.497
   18    HA   LEU  34           HA       LEU  34   5.162   9.152 -14.724
   19    HB2  LEU  34           HB2      LEU  34   5.060  11.849 -13.328
   20    HB3  LEU  34           HB3      LEU  34   5.650  10.382 -12.552
   21    HG   LEU  34           HG       LEU  34   6.852  11.585 -15.081
   22   HD11  LEU  34          HD11      LEU  34   8.695  12.313 -13.660
   23   HD12  LEU  34          HD12      LEU  34   7.893  11.653 -12.224
   24   HD13  LEU  34          HD13      LEU  34   7.180  13.030 -13.094
   25   HD21  LEU  34          HD21      LEU  34   7.732   9.296 -13.266
   26   HD22  LEU  34          HD22      LEU  34   8.769  10.043 -14.491
   27   HD23  LEU  34          HD23      LEU  34   7.311   9.197 -14.992
   28    HA   PRO  35           HA       PRO  35   1.279   7.901 -13.314
   29    HB2  PRO  35           HB2      PRO  35   1.803   5.874 -11.562
   30    HB3  PRO  35           HB3      PRO  35   2.168   5.772 -13.313
   31    HG2  PRO  35           HG2      PRO  35   4.087   6.519 -11.092
   32    HG3  PRO  35           HG3      PRO  35   4.324   5.318 -12.404
   33    HD2  PRO  35           HD2      PRO  35   5.296   7.846 -12.611
   34    HD3  PRO  35           HD3      PRO  35   4.599   7.013 -14.033
   35    H    THR  36           H        THR  36  -0.249   8.601 -11.957
   36    HA   THR  36           HA       THR  36   0.154   8.346  -9.062
   37    HB   THR  36           HB       THR  36   0.870  10.634  -9.462
   38    HG1  THR  36           HG1      THR  36  -1.128  11.410  -8.057
   39   HG21  THR  36          HG21      THR  36  -0.643  12.428 -10.010
   40   HG22  THR  36          HG22      THR  36  -1.979  11.296 -10.292
   41   HG23  THR  36          HG23      THR  36  -0.561  11.292 -11.362
   42    H    THR  37           H        THR  37  -1.216   6.668 -10.729
   43    HA   THR  37           HA       THR  37  -4.026   7.090  -9.826
   44    HB   THR  37           HB       THR  37  -4.833   5.915 -11.861
   45    HG1  THR  37           HG1      THR  37  -3.289   5.729 -13.584
   46   HG21  THR  37          HG21      THR  37  -4.509   7.671 -13.503
   47   HG22  THR  37          HG22      THR  37  -3.139   8.334 -12.584
   48   HG23  THR  37          HG23      THR  37  -4.777   8.379 -11.908
   49    H    LEU  38           H        LEU  38  -5.187   5.268  -9.132
   50    HA   LEU  38           HA       LEU  38  -3.634   3.231  -7.916
   51    HB2  LEU  38           HB2      LEU  38  -6.592   3.426  -8.501
   52    HB3  LEU  38           HB3      LEU  38  -5.926   1.910  -7.939
   53    HG   LEU  38           HG       LEU  38  -5.761   4.523  -6.434
   54   HD11  LEU  38          HD11      LEU  38  -7.340   3.441  -4.891
   55   HD12  LEU  38          HD12      LEU  38  -7.349   1.969  -5.884
   56   HD13  LEU  38          HD13      LEU  38  -8.030   3.478  -6.513
   57   HD21  LEU  38          HD21      LEU  38  -4.871   1.700  -5.655
   58   HD22  LEU  38          HD22      LEU  38  -4.999   3.068  -4.527
   59   HD23  LEU  38          HD23      LEU  38  -3.816   3.116  -5.827
   60    H    GLY  39           H        GLY  39  -5.142   3.074 -11.165
   61    HA2  GLY  39           HA2      GLY  39  -4.800   0.357 -11.683
   62    HA3  GLY  39           HA3      GLY  39  -4.577   1.602 -12.907
   63    H    LYS  40           H        LYS  40  -2.400   2.919 -12.224
   64    HA   LYS  40           HA       LYS  40  -0.215   1.177 -13.039
   65    HB2  LYS  40           HB2      LYS  40  -0.348   4.134 -12.284
   66    HB3  LYS  40           HB3      LYS  40   1.078   3.325 -12.961
   67    HG2  LYS  40           HG2      LYS  40  -0.182   2.736 -14.994
   68    HG3  LYS  40           HG3      LYS  40  -1.635   3.505 -14.340
   69    HD2  LYS  40           HD2      LYS  40  -0.541   5.702 -14.380
   70    HD3  LYS  40           HD3      LYS  40   0.954   4.951 -15.002
   71    HE2  LYS  40           HE2      LYS  40  -0.172   4.195 -17.012
   72    HE3  LYS  40           HE3      LYS  40  -1.735   4.752 -16.413
   73    HZ1  LYS  40           HZ1      LYS  40   0.538   6.568 -16.972
   74    HZ2  LYS  40           HZ2      LYS  40  -1.010   7.008 -16.586
   75    HZ3  LYS  40           HZ3      LYS  40  -0.690   6.260 -18.016
   76    H    LEU  41           H        LEU  41  -1.139   2.732  -9.949
   77    HA   LEU  41           HA       LEU  41   1.302   1.888  -8.630
   78    HB2  LEU  41           HB2      LEU  41  -0.314   3.773  -7.905
   79    HB3  LEU  41           HB3      LEU  41  -1.330   2.478  -7.262
   80    HG   LEU  41           HG       LEU  41   0.849   1.688  -6.022
   81   HD11  LEU  41          HD11      LEU  41   2.468   3.147  -7.214
   82   HD12  LEU  41          HD12      LEU  41   2.434   3.487  -5.481
   83   HD13  LEU  41          HD13      LEU  41   1.611   4.582  -6.607
   84   HD21  LEU  41          HD21      LEU  41  -1.101   2.699  -4.932
   85   HD22  LEU  41          HD22      LEU  41  -0.413   4.319  -5.201
   86   HD23  LEU  41          HD23      LEU  41   0.427   3.144  -4.151
   87    H    ASP  42           H        ASP  42  -1.994   0.443  -8.790
   88    HA   ASP  42           HA       ASP  42  -1.536  -1.828  -7.129
   89    HB2  ASP  42           HB2      ASP  42  -3.770  -1.092  -7.806
   90    HB3  ASP  42           HB3      ASP  42  -3.373  -1.335  -9.509
   91    H    GLU  43           H        GLU  43  -0.906  -1.376 -10.614
   92    HA   GLU  43           HA       GLU  43  -0.106  -4.111 -11.091
   93    HB2  GLU  43           HB2      GLU  43  -0.753  -2.324 -12.815
   94    HB3  GLU  43           HB3      GLU  43   0.853  -1.639 -12.618
   95    HG2  GLU  43           HG2      GLU  43   1.890  -3.599 -13.541
   96    HG3  GLU  43           HG3      GLU  43   0.434  -4.573 -13.305
   97    H    ARG  44           H        ARG  44   1.740  -1.152 -10.205
   98    HA   ARG  44           HA       ARG  44   4.269  -2.525 -10.037
   99    HB2  ARG  44           HB2      ARG  44   3.736   0.055 -10.157
  100    HB3  ARG  44           HB3      ARG  44   3.693  -0.062  -8.397
  101    HG2  ARG  44           HG2      ARG  44   5.958  -1.082  -8.408
  102    HG3  ARG  44           HG3      ARG  44   6.001  -1.052 -10.170
  103    HD2  ARG  44           HD2      ARG  44   5.593   1.480  -8.560
  104    HD3  ARG  44           HD3      ARG  44   7.199   0.822  -8.834
  105    HE   ARG  44           HE       ARG  44   5.375   2.005 -10.851
  106   HH11  ARG  44          HH11      ARG  44   8.544   0.525 -10.324
  107   HH12  ARG  44          HH12      ARG  44   9.107   1.052 -11.897
  108   HH21  ARG  44          HH21      ARG  44   6.193   2.644 -12.742
  109   HH22  ARG  44          HH22      ARG  44   7.885   2.371 -13.144
  110    H    LEU  45           H        LEU  45   1.789  -1.858  -7.521
  111    HA   LEU  45           HA       LEU  45   3.294  -2.979  -5.348
  112    HB2  LEU  45           HB2      LEU  45   0.349  -2.434  -5.786
  113    HB3  LEU  45           HB3      LEU  45   0.980  -3.063  -4.270
  114    HG   LEU  45           HG       LEU  45   1.914  -0.428  -5.495
  115   HD11  LEU  45          HD11      LEU  45   0.506   0.580  -3.693
  116   HD12  LEU  45          HD12      LEU  45  -0.145  -1.036  -3.342
  117   HD13  LEU  45          HD13      LEU  45  -0.444  -0.284  -4.921
  118   HD21  LEU  45          HD21      LEU  45   2.316  -1.602  -2.721
  119   HD22  LEU  45          HD22      LEU  45   2.768   0.029  -3.237
  120   HD23  LEU  45          HD23      LEU  45   3.573  -1.360  -3.955
  121    H    ARG  46           H        ARG  46   0.961  -4.549  -7.563
  122    HA   ARG  46           HA       ARG  46   1.127  -7.123  -6.222
  123    HB2  ARG  46           HB2      ARG  46   0.355  -6.332  -9.063
  124    HB3  ARG  46           HB3      ARG  46   0.317  -8.002  -8.469
  125    HG2  ARG  46           HG2      ARG  46  -1.225  -7.354  -6.650
  126    HG3  ARG  46           HG3      ARG  46  -1.194  -5.682  -7.193
  127    HD2  ARG  46           HD2      ARG  46  -2.115  -6.569  -9.437
  128    HD3  ARG  46           HD3      ARG  46  -2.458  -8.071  -8.568
  129    HE   ARG  46           HE       ARG  46  -3.479  -5.339  -7.797
  130   HH11  ARG  46          HH11      ARG  46  -4.467  -8.676  -8.353
  131   HH12  ARG  46          HH12      ARG  46  -6.096  -8.313  -7.798
  132   HH21  ARG  46          HH21      ARG  46  -5.334  -5.001  -7.175
  133   HH22  ARG  46          HH22      ARG  46  -6.609  -6.235  -7.095
  134    H    ASN  47           H        ASN  47   3.199  -5.472  -8.562
  135    HA   ASN  47           HA       ASN  47   5.067  -7.731  -8.790
  136    HB2  ASN  47           HB2      ASN  47   5.088  -4.835  -9.698
  137    HB3  ASN  47           HB3      ASN  47   6.538  -5.812  -9.733
  138   HD21  ASN  47          HD21      ASN  47   3.617  -5.079 -11.415
  139   HD22  ASN  47          HD22      ASN  47   3.837  -6.255 -12.692
  140    H    TYR  48           H        TYR  48   5.138  -4.695  -6.760
  141    HA   TYR  48           HA       TYR  48   7.497  -5.339  -5.422
  142    HB2  TYR  48           HB2      TYR  48   5.047  -3.876  -4.396
  143    HB3  TYR  48           HB3      TYR  48   6.465  -4.100  -3.494
  144    HD1  TYR  48           HD1      TYR  48   8.534  -2.840  -3.795
  145    HD2  TYR  48           HD2      TYR  48   4.933  -1.893  -5.931
  146    HE1  TYR  48           HE1      TYR  48   9.376  -0.549  -4.217
  147    HE2  TYR  48           HE2      TYR  48   5.716   0.424  -6.235
  148    HH   TYR  48           HH       TYR  48   7.400   1.939  -5.876
  149    H    LEU  49           H        LEU  49   4.311  -6.756  -4.834
  150    HA   LEU  49           HA       LEU  49   5.181  -8.168  -2.497
  151    HB2  LEU  49           HB2      LEU  49   2.816  -8.072  -4.206
  152    HB3  LEU  49           HB3      LEU  49   3.235  -9.760  -3.948
  153    HG   LEU  49           HG       LEU  49   2.888  -7.703  -1.744
  154   HD11  LEU  49          HD11      LEU  49   0.747  -8.211  -2.862
  155   HD12  LEU  49          HD12      LEU  49   0.790  -8.945  -1.246
  156   HD13  LEU  49          HD13      LEU  49   1.048  -9.954  -2.683
  157   HD21  LEU  49          HD21      LEU  49   4.373  -9.530  -1.090
  158   HD22  LEU  49          HD22      LEU  49   3.151 -10.727  -1.555
  159   HD23  LEU  49          HD23      LEU  49   2.860  -9.592  -0.208
  160    H    LYS  50           H        LYS  50   5.303  -9.234  -5.932
  161    HA   LYS  50           HA       LYS  50   6.450 -11.828  -5.220
  162    HB2  LYS  50           HB2      LYS  50   6.666 -10.415  -7.899
  163    HB3  LYS  50           HB3      LYS  50   6.883 -12.137  -7.518
  164    HG2  LYS  50           HG2      LYS  50   4.457 -12.201  -6.811
  165    HG3  LYS  50           HG3      LYS  50   4.287 -10.562  -7.456
  166    HD2  LYS  50           HD2      LYS  50   5.062 -13.058  -9.006
  167    HD3  LYS  50           HD3      LYS  50   3.515 -12.205  -9.091
  168    HE2  LYS  50           HE2      LYS  50   4.672 -10.202 -10.019
  169    HE3  LYS  50           HE3      LYS  50   6.217 -11.051  -9.918
  170    HZ1  LYS  50           HZ1      LYS  50   5.423 -11.314 -12.119
  171    HZ2  LYS  50           HZ2      LYS  50   3.912 -11.792 -11.645
  172    HZ3  LYS  50           HZ3      LYS  50   5.201 -12.774 -11.422
  173    H    LYS  51           H        LYS  51   7.828  -8.769  -6.404
  174    HA   LYS  51           HA       LYS  51  10.612  -9.424  -6.392
  175    HB2  LYS  51           HB2      LYS  51   9.017  -6.927  -5.959
  176    HB3  LYS  51           HB3      LYS  51  10.767  -6.943  -5.770
  177    HG2  LYS  51           HG2      LYS  51   9.674  -8.045  -8.337
  178    HG3  LYS  51           HG3      LYS  51   9.582  -6.308  -8.051
  179    HD2  LYS  51           HD2      LYS  51  12.022  -6.242  -7.539
  180    HD3  LYS  51           HD3      LYS  51  12.131  -7.979  -7.918
  181    HE2  LYS  51           HE2      LYS  51  11.303  -7.459 -10.231
  182    HE3  LYS  51           HE3      LYS  51  11.256  -5.743  -9.792
  183    HZ1  LYS  51           HZ1      LYS  51  13.651  -7.465  -9.954
  184    HZ2  LYS  51           HZ2      LYS  51  13.301  -6.144 -10.880
  185    HZ3  LYS  51           HZ3      LYS  51  13.681  -5.963  -9.283
  186    H    GLY  52           H        GLY  52   8.462  -8.439  -3.689
  187    HA2  GLY  52           HA2      GLY  52  10.867  -8.055  -2.046
  188    HA3  GLY  52           HA3      GLY  52   9.305  -7.308  -1.839
  189    H    THR  53           H        THR  53   8.448 -10.503  -2.136
  190    HA   THR  53           HA       THR  53   9.043 -11.202   0.709
  191    HB   THR  53           HB       THR  53   6.959 -12.365   0.761
  192    HG1  THR  53           HG1      THR  53   6.428 -11.322  -1.852
  193   HG21  THR  53          HG21      THR  53   5.368 -10.585   0.697
  194   HG22  THR  53          HG22      THR  53   6.428  -9.630  -0.382
  195   HG23  THR  53          HG23      THR  53   6.906  -9.959   1.284
  196    H    LYS  54           H        LYS  54   9.193 -13.522   1.236
  197    HA   LYS  54           HA       LYS  54  10.726 -14.956  -0.742
  198    HB2  LYS  54           HB2      LYS  54   9.535 -16.014   1.852
  199    HB3  LYS  54           HB3      LYS  54  10.781 -16.784   0.880
  200    HG2  LYS  54           HG2      LYS  54  11.016 -14.280   2.566
  201    HG3  LYS  54           HG3      LYS  54  11.893 -15.801   2.711
  202    HD2  LYS  54           HD2      LYS  54  13.004 -15.258   0.477
  203    HD3  LYS  54           HD3      LYS  54  12.212 -13.660   0.567
  204    HE2  LYS  54           HE2      LYS  54  13.274 -13.323   2.816
  205    HE3  LYS  54           HE3      LYS  54  14.190 -14.827   2.567
  206    HZ1  LYS  54           HZ1      LYS  54  15.055 -13.728   0.469
  207    HZ2  LYS  54           HZ2      LYS  54  14.326 -12.343   0.958
  208    HZ3  LYS  54           HZ3      LYS  54  15.528 -12.988   1.873
  209    H    ASN  55           H        ASN  55   7.350 -15.096   0.203
  210    HA   ASN  55           HA       ASN  55   6.636 -16.468  -2.264
  211    HB2  ASN  55           HB2      ASN  55   5.122 -17.948  -0.716
  212    HB3  ASN  55           HB3      ASN  55   6.790 -18.462  -1.019
  213   HD21  ASN  55          HD21      ASN  55   4.367 -18.164   1.197
  214   HD22  ASN  55          HD22      ASN  55   5.367 -18.103   2.648
  215    H    SER  56           H        SER  56   5.455 -14.867  -3.038
  216    HA   SER  56           HA       SER  56   3.691 -13.161  -1.623
  217    HB2  SER  56           HB2      SER  56   2.860 -12.611  -3.936
  218    HB3  SER  56           HB3      SER  56   4.617 -12.509  -3.738
  219    HG   SER  56           HG       SER  56   3.341 -13.879  -5.543
  220    H    ALA  57           H        ALA  57   3.097 -16.422  -2.792
  221    HA   ALA  57           HA       ALA  57   0.408 -16.278  -3.472
  222    HB1  ALA  57           HB1      ALA  57   0.423 -18.727  -3.195
  223    HB2  ALA  57           HB2      ALA  57   1.923 -18.622  -2.254
  224    HB3  ALA  57           HB3      ALA  57   1.917 -18.166  -3.969
  225    H    GLN  58           H        GLN  58   1.595 -16.189  -0.199
  226    HA   GLN  58           HA       GLN  58  -0.838 -17.152   1.047
  227    HB2  GLN  58           HB2      GLN  58   0.309 -16.536   3.115
  228    HB3  GLN  58           HB3      GLN  58   1.378 -17.458   2.062
  229    HG2  GLN  58           HG2      GLN  58   2.408 -15.246   1.300
  230    HG3  GLN  58           HG3      GLN  58   1.432 -14.433   2.500
  231   HE21  GLN  58          HE21      GLN  58   4.535 -15.310   2.033
  232   HE22  GLN  58          HE22      GLN  58   4.933 -15.725   3.679
  233    H    PHE  59           H        PHE  59   0.030 -14.129  -0.361
  234    HA   PHE  59           HA       PHE  59  -1.425 -12.486   1.587
  235    HB2  PHE  59           HB2      PHE  59   0.118 -11.824  -0.917
  236    HB3  PHE  59           HB3      PHE  59  -0.785 -10.633   0.008
  237    HD1  PHE  59           HD1      PHE  59  -0.176 -10.053   2.323
  238    HD2  PHE  59           HD2      PHE  59   2.206 -12.816   0.044
  239    HE1  PHE  59           HE1      PHE  59   1.617  -9.894   4.016
  240    HE2  PHE  59           HE2      PHE  59   4.032 -12.611   1.701
  241    HZ   PHE  59           HZ       PHE  59   3.741 -11.142   3.677
  242    H    GLU  60           H        GLU  60  -3.230 -11.288   1.336
  243    HA   GLU  60           HA       GLU  60  -5.185 -12.298  -0.706
  244    HB2  GLU  60           HB2      GLU  60  -5.562 -13.536   1.228
  245    HB3  GLU  60           HB3      GLU  60  -5.273 -12.174   2.315
  246    HG2  GLU  60           HG2      GLU  60  -7.381 -11.199   1.883
  247    HG3  GLU  60           HG3      GLU  60  -7.642 -12.173   0.441
  248    H    LYS  61           H        LYS  61  -4.204  -9.542   1.326
  249    HA   LYS  61           HA       LYS  61  -5.507  -7.794  -0.622
  250    HB2  LYS  61           HB2      LYS  61  -6.947  -6.606   0.840
  251    HB3  LYS  61           HB3      LYS  61  -7.262  -8.312   1.115
  252    HG2  LYS  61           HG2      LYS  61  -5.549  -8.095   3.068
  253    HG3  LYS  61           HG3      LYS  61  -5.768  -6.350   2.890
  254    HD2  LYS  61           HD2      LYS  61  -8.093  -6.502   3.470
  255    HD3  LYS  61           HD3      LYS  61  -8.082  -8.240   3.155
  256    HE2  LYS  61           HE2      LYS  61  -6.261  -8.303   5.095
  257    HE3  LYS  61           HE3      LYS  61  -6.954  -6.736   5.516
  258    HZ1  LYS  61           HZ1      LYS  61  -7.986  -8.621   6.702
  259    HZ2  LYS  61           HZ2      LYS  61  -8.482  -9.278   5.280
  260    HZ3  LYS  61           HZ3      LYS  61  -9.096  -7.823   5.752
  261    H    MET  62           H        MET  62  -5.254  -5.558   0.088
  262    HA   MET  62           HA       MET  62  -2.882  -4.858   1.608
  263    HB2  MET  62           HB2      MET  62  -1.654  -3.746  -0.148
  264    HB3  MET  62           HB3      MET  62  -1.908  -5.433  -0.594
  265    HG2  MET  62           HG2      MET  62  -3.721  -4.796  -2.121
  266    HG3  MET  62           HG3      MET  62  -3.525  -3.097  -1.666
  267    HE1  MET  62           HE1      MET  62  -3.399  -2.572  -4.309
  268    HE2  MET  62           HE2      MET  62  -3.470  -4.306  -4.699
  269    HE3  MET  62           HE3      MET  62  -2.186  -3.295  -5.387
  270    H    VAL  63           H        VAL  63  -2.662  -2.544   1.931
  271    HA   VAL  63           HA       VAL  63  -4.877  -0.844   1.003
  272    HB   VAL  63           HB       VAL  63  -5.658  -1.749   3.160
  273   HG11  VAL  63          HG11      VAL  63  -4.617  -1.601   5.120
  274   HG12  VAL  63          HG12      VAL  63  -3.442  -0.339   4.593
  275   HG13  VAL  63          HG13      VAL  63  -3.283  -2.015   4.062
  276   HG21  VAL  63          HG21      VAL  63  -6.144   0.309   4.353
  277   HG22  VAL  63          HG22      VAL  63  -6.347   0.556   2.614
  278   HG23  VAL  63          HG23      VAL  63  -4.900   1.184   3.437
  279    H    ILE  64           H        ILE  64  -4.329   1.183   0.648
  280    HA   ILE  64           HA       ILE  64  -1.396   1.796   0.663
  281    HB   ILE  64           HB       ILE  64  -3.612   2.456  -1.318
  282   HG12  ILE  64          HG12      ILE  64  -1.272   0.608  -1.880
  283   HG13  ILE  64          HG13      ILE  64  -2.753  -0.030  -1.182
  284   HG21  ILE  64          HG21      ILE  64  -0.599   2.920  -1.555
  285   HG22  ILE  64          HG22      ILE  64  -1.818   4.188  -1.277
  286   HG23  ILE  64          HG23      ILE  64  -1.823   3.294  -2.784
  287   HD11  ILE  64          HD11      ILE  64  -4.078   0.793  -3.074
  288   HD12  ILE  64          HD12      ILE  64  -2.804  -0.338  -3.567
  289   HD13  ILE  64          HD13      ILE  64  -2.595   1.398  -3.849
  290    H    LEU  65           H        LEU  65  -0.803   3.610   1.692
  291    HA   LEU  65           HA       LEU  65  -2.870   5.659   2.383
  292    HB2  LEU  65           HB2      LEU  65  -0.447   4.816   4.014
  293    HB3  LEU  65           HB3      LEU  65  -1.615   6.053   4.428
  294    HG   LEU  65           HG       LEU  65  -1.973   3.055   4.441
  295   HD11  LEU  65          HD11      LEU  65  -2.616   3.417   6.771
  296   HD12  LEU  65          HD12      LEU  65  -2.583   5.180   6.549
  297   HD13  LEU  65          HD13      LEU  65  -1.088   4.247   6.486
  298   HD21  LEU  65          HD21      LEU  65  -4.205   5.103   4.696
  299   HD22  LEU  65          HD22      LEU  65  -4.312   3.365   5.119
  300   HD23  LEU  65          HD23      LEU  65  -4.055   3.839   3.457
  301    H    THR  66           H        THR  66  -2.462   7.700   1.805
  302    HA   THR  66           HA       THR  66   0.208   8.339   0.605
  303    HB   THR  66           HB       THR  66  -0.890   9.617  -1.104
  304    HG1  THR  66           HG1      THR  66  -2.671  10.380  -0.047
  305   HG21  THR  66          HG21      THR  66  -0.681   7.178  -1.543
  306   HG22  THR  66          HG22      THR  66  -2.039   7.941  -2.385
  307   HG23  THR  66          HG23      THR  66  -2.344   6.954  -0.943
  308    H    GLU  67           H        GLU  67   0.594  10.732   0.330
  309    HA   GLU  67           HA       GLU  67   0.059  12.425   2.562
  310    HB2  GLU  67           HB2      GLU  67   0.135  13.421  -0.281
  311    HB3  GLU  67           HB3      GLU  67   0.561  14.290   1.175
  312    HG2  GLU  67           HG2      GLU  67   2.612  13.007   1.405
  313    HG3  GLU  67           HG3      GLU  67   2.166  11.940   0.077
  314    H    ASN  68           H        ASN  68  -1.485  14.295   2.616
  315    HA   ASN  68           HA       ASN  68  -3.555  15.220   2.608
  316    HB2  ASN  68           HB2      ASN  68  -3.804  14.124  -0.202
  317    HB3  ASN  68           HB3      ASN  68  -4.606  15.537   0.448
  318   HD21  ASN  68          HD21      ASN  68  -2.375  14.934  -1.733
  319   HD22  ASN  68          HD22      ASN  68  -1.086  16.072  -1.270
  320    H    LYS  69           H        LYS  69  -3.314  12.693   3.756
  321    HA   LYS  69           HA       LYS  69  -4.435  10.971   4.690
  322    HB2  LYS  69           HB2      LYS  69  -6.673  13.017   4.582
  323    HB3  LYS  69           HB3      LYS  69  -6.619  11.598   5.643
  324    HG2  LYS  69           HG2      LYS  69  -4.475  12.403   6.614
  325    HG3  LYS  69           HG3      LYS  69  -4.586  13.877   5.636
  326    HD2  LYS  69           HD2      LYS  69  -6.632  14.552   6.772
  327    HD3  LYS  69           HD3      LYS  69  -6.646  13.024   7.699
  328    HE2  LYS  69           HE2      LYS  69  -4.405  13.571   8.603
  329    HE3  LYS  69           HE3      LYS  69  -4.421  15.112   7.729
  330    HZ1  LYS  69           HZ1      LYS  69  -5.098  15.255  10.119
  331    HZ2  LYS  69           HZ2      LYS  69  -6.430  14.365   9.788
  332    HZ3  LYS  69           HZ3      LYS  69  -6.237  15.866   9.119
  333    H    GLY  70           H        GLY  70  -4.356  10.744   1.837
  334    HA2  GLY  70           HA2      GLY  70  -6.708   9.262   1.013
  335    HA3  GLY  70           HA3      GLY  70  -5.114   9.112   0.297
  336    H    TYR  71           H        TYR  71  -7.247   7.236   1.204
  337    HA   TYR  71           HA       TYR  71  -5.600   5.098   2.390
  338    HB2  TYR  71           HB2      TYR  71  -6.600   6.108   4.361
  339    HB3  TYR  71           HB3      TYR  71  -8.176   6.182   3.604
  340    HD1  TYR  71           HD1      TYR  71  -9.341   3.896   3.007
  341    HD2  TYR  71           HD2      TYR  71  -6.178   4.326   5.932
  342    HE1  TYR  71           HE1      TYR  71 -10.071   1.813   4.121
  343    HE2  TYR  71           HE2      TYR  71  -6.972   2.287   7.066
  344    HH   TYR  71           HH       TYR  71  -8.576   0.645   7.158
  345    H    TYR  72           H        TYR  72  -5.904   3.413   1.024
  346    HA   TYR  72           HA       TYR  72  -8.572   2.957  -0.273
  347    HB2  TYR  72           HB2      TYR  72  -5.925   2.798  -1.757
  348    HB3  TYR  72           HB3      TYR  72  -7.539   2.682  -2.416
  349    HD1  TYR  72           HD1      TYR  72  -4.925   4.956  -1.095
  350    HD2  TYR  72           HD2      TYR  72  -8.796   4.708  -2.994
  351    HE1  TYR  72           HE1      TYR  72  -4.762   7.354  -1.746
  352    HE2  TYR  72           HE2      TYR  72  -8.604   7.099  -3.676
  353    HH   TYR  72           HH       TYR  72  -7.263   8.934  -3.752
  354    H    THR  73           H        THR  73  -9.169   0.874   0.256
  355    HA   THR  73           HA       THR  73  -7.007  -1.164   0.667
  356    HB   THR  73           HB       THR  73  -8.455  -0.844   2.590
  357    HG1  THR  73           HG1      THR  73  -9.025  -3.140   2.686
  358   HG21  THR  73          HG21      THR  73 -10.706  -2.095   0.971
  359   HG22  THR  73          HG22      THR  73 -10.619  -0.362   1.354
  360   HG23  THR  73          HG23      THR  73 -10.727  -1.538   2.662
  361    H    VAL  74           H        VAL  74  -6.924  -3.047  -0.413
  362    HA   VAL  74           HA       VAL  74  -8.642  -3.448  -2.822
  363    HB   VAL  74           HB       VAL  74  -5.618  -3.041  -2.785
  364   HG11  VAL  74          HG11      VAL  74  -6.053  -4.848  -4.327
  365   HG12  VAL  74          HG12      VAL  74  -5.805  -3.388  -5.282
  366   HG13  VAL  74          HG13      VAL  74  -7.451  -4.001  -5.012
  367   HG21  VAL  74          HG21      VAL  74  -6.803  -0.908  -2.852
  368   HG22  VAL  74          HG22      VAL  74  -7.846  -1.490  -4.168
  369   HG23  VAL  74          HG23      VAL  74  -6.105  -1.241  -4.434
  370    H    TYR  75           H        TYR  75  -9.223  -5.531  -2.870
  371    HA   TYR  75           HA       TYR  75  -7.686  -7.590  -1.435
  372    HB2  TYR  75           HB2      TYR  75 -10.258  -7.598  -3.025
  373    HB3  TYR  75           HB3      TYR  75  -9.461  -9.087  -2.537
  374    HD1  TYR  75           HD1      TYR  75  -8.920  -9.502  -0.083
  375    HD2  TYR  75           HD2      TYR  75 -11.598  -6.374  -1.379
  376    HE1  TYR  75           HE1      TYR  75  -9.930  -9.423   2.171
  377    HE2  TYR  75           HE2      TYR  75 -12.594  -6.288   0.904
  378    HH   TYR  75           HH       TYR  75 -12.504  -7.112   3.057
  379    H    LEU  76           H        LEU  76  -6.409  -9.072  -2.240
  380    HA   LEU  76           HA       LEU  76  -5.377  -8.797  -5.014
  381    HB2  LEU  76           HB2      LEU  76  -4.326 -10.226  -2.535
  382    HB3  LEU  76           HB3      LEU  76  -3.487 -10.156  -4.072
  383    HG   LEU  76           HG       LEU  76  -4.194  -7.655  -2.463
  384   HD11  LEU  76          HD11      LEU  76  -1.596  -9.220  -2.583
  385   HD12  LEU  76          HD12      LEU  76  -2.673  -9.084  -1.175
  386   HD13  LEU  76          HD13      LEU  76  -1.843  -7.645  -1.785
  387   HD21  LEU  76          HD21      LEU  76  -2.296  -8.154  -4.789
  388   HD22  LEU  76          HD22      LEU  76  -2.431  -6.631  -3.885
  389   HD23  LEU  76          HD23      LEU  76  -3.799  -7.200  -4.843
  390    H    ASN  77           H        ASN  77  -7.353 -10.916  -3.123
  391    HA   ASN  77           HA       ASN  77  -7.142 -13.323  -4.669
  392    HB2  ASN  77           HB2      ASN  77  -9.525 -12.158  -3.145
  393    HB3  ASN  77           HB3      ASN  77  -9.411 -13.806  -3.741
  394   HD21  ASN  77          HD21      ASN  77 -10.031 -13.887  -1.290
  395   HD22  ASN  77          HD22      ASN  77  -8.660 -14.009  -0.190
  396    H    THR  78           H        THR  78  -8.196 -10.263  -5.736
  397    HA   THR  78           HA       THR  78  -9.984 -11.351  -7.818
  398    HB   THR  78           HB       THR  78 -11.411  -9.329  -7.503
  399    HG1  THR  78           HG1      THR  78 -11.188  -8.113  -5.663
  400   HG21  THR  78          HG21      THR  78 -11.183 -10.995  -4.952
  401   HG22  THR  78          HG22      THR  78 -12.070 -11.465  -6.422
  402   HG23  THR  78          HG23      THR  78 -12.588 -10.054  -5.495
  403    HA   PRO  79           HA       PRO  79  -7.745  -8.458 -10.512
  404    HB2  PRO  79           HB2      PRO  79 -10.375  -8.131 -11.910
  405    HB3  PRO  79           HB3      PRO  79  -8.794  -8.597 -12.590
  406    HG2  PRO  79           HG2      PRO  79 -10.729 -10.465 -12.282
  407    HG3  PRO  79           HG3      PRO  79  -9.027 -10.846 -11.822
  408    HD2  PRO  79           HD2      PRO  79 -11.254  -9.932  -9.989
  409    HD3  PRO  79           HD3      PRO  79 -10.173 -11.354  -9.854
  410    H    LEU  80           H        LEU  80  -7.663  -6.116 -10.843
  411    HA   LEU  80           HA       LEU  80  -9.269  -4.549  -9.021
  412    HB2  LEU  80           HB2      LEU  80  -7.950  -2.770  -9.546
  413    HB3  LEU  80           HB3      LEU  80  -6.845  -4.086  -9.844
  414    HG   LEU  80           HG       LEU  80  -8.378  -2.531 -11.995
  415   HD11  LEU  80          HD11      LEU  80  -5.502  -2.313 -11.072
  416   HD12  LEU  80          HD12      LEU  80  -6.779  -1.108 -10.837
  417   HD13  LEU  80          HD13      LEU  80  -6.208  -1.482 -12.473
  418   HD21  LEU  80          HD21      LEU  80  -5.997  -4.400 -12.336
  419   HD22  LEU  80          HD22      LEU  80  -6.872  -3.547 -13.609
  420   HD23  LEU  80          HD23      LEU  80  -7.669  -4.847 -12.728
  421    H    ALA  81           H        ALA  81 -11.220  -3.500  -9.324
  422    HA   ALA  81           HA       ALA  81 -12.673  -3.507 -11.770
  423    HB1  ALA  81           HB1      ALA  81 -12.781  -1.540  -9.442
  424    HB2  ALA  81           HB2      ALA  81 -13.656  -3.089  -9.551
  425    HB3  ALA  81           HB3      ALA  81 -14.031  -1.785 -10.683
  426    H    GLU  82           H        GLU  82 -12.536  -2.298 -13.589
  427    HA   GLU  82           HA       GLU  82 -10.116  -1.048 -14.179
  428    HB2  GLU  82           HB2      GLU  82 -10.974  -0.464 -16.326
  429    HB3  GLU  82           HB3      GLU  82 -11.466  -2.084 -15.891
  430    HG2  GLU  82           HG2      GLU  82 -13.337   0.288 -15.477
  431    HG3  GLU  82           HG3      GLU  82 -13.145  -0.449 -17.064
  432    H    ASP  83           H        ASP  83 -12.820   0.704 -12.758
  433    HA   ASP  83           HA       ASP  83 -12.107   3.312 -13.780
  434    HB2  ASP  83           HB2      ASP  83 -13.751   2.267 -11.463
  435    HB3  ASP  83           HB3      ASP  83 -13.409   3.981 -11.646
  436    H    ARG  84           H        ARG  84 -10.696   1.301 -11.338
  437    HA   ARG  84           HA       ARG  84  -9.179   3.255  -9.848
  438    HB2  ARG  84           HB2      ARG  84  -8.693   0.337 -10.575
  439    HB3  ARG  84           HB3      ARG  84  -7.644   1.253  -9.509
  440    HG2  ARG  84           HG2      ARG  84  -9.408   1.582  -7.878
  441    HG3  ARG  84           HG3      ARG  84 -10.616   0.835  -8.949
  442    HD2  ARG  84           HD2      ARG  84  -9.476  -1.281  -8.892
  443    HD3  ARG  84           HD3      ARG  84  -8.111  -0.596  -7.975
  444    HE   ARG  84           HE       ARG  84 -10.370  -0.143  -6.387
  445   HH11  ARG  84          HH11      ARG  84  -8.633  -2.935  -7.594
  446   HH12  ARG  84          HH12      ARG  84  -9.294  -4.019  -6.412
  447   HH21  ARG  84          HH21      ARG  84 -11.137  -1.572  -4.803
  448   HH22  ARG  84          HH22      ARG  84 -10.567  -3.227  -4.807
  449    H    LYS  85           H        LYS  85  -8.856   2.003 -13.098
  450    HA   LYS  85           HA       LYS  85  -6.068   2.894 -13.499
  451    HB2  LYS  85           HB2      LYS  85  -8.215   2.204 -15.516
  452    HB3  LYS  85           HB3      LYS  85  -6.522   2.497 -15.876
  453    HG2  LYS  85           HG2      LYS  85  -5.816   0.521 -14.679
  454    HG3  LYS  85           HG3      LYS  85  -7.457   0.221 -14.076
  455    HD2  LYS  85           HD2      LYS  85  -8.294  -0.160 -16.322
  456    HD3  LYS  85           HD3      LYS  85  -6.723   0.232 -17.041
  457    HE2  LYS  85           HE2      LYS  85  -7.141  -2.044 -15.058
  458    HE3  LYS  85           HE3      LYS  85  -7.320  -2.253 -16.802
  459    HZ1  LYS  85           HZ1      LYS  85  -5.080  -2.844 -16.008
  460    HZ2  LYS  85           HZ2      LYS  85  -4.786  -1.287 -15.564
  461    HZ3  LYS  85           HZ3      LYS  85  -5.035  -1.683 -17.128
  462    H    ASN  86           H        ASN  86  -9.072   4.511 -13.312
  463    HA   ASN  86           HA       ASN  86  -7.940   6.878 -14.757
  464    HB2  ASN  86           HB2      ASN  86 -10.824   6.282 -13.925
  465    HB3  ASN  86           HB3      ASN  86 -10.275   7.702 -14.801
  466   HD21  ASN  86          HD21      ASN  86  -9.069   7.177 -16.982
  467   HD22  ASN  86          HD22      ASN  86  -9.856   5.909 -17.915
  468    H    VAL  87           H        VAL  87  -8.857   5.790 -11.506
  469    HA   VAL  87           HA       VAL  87  -9.376   8.386 -10.449
  470    HB   VAL  87           HB       VAL  87 -10.075   6.166  -9.500
  471   HG11  VAL  87          HG11      VAL  87  -8.788   4.974  -7.975
  472   HG12  VAL  87          HG12      VAL  87  -7.469   6.162  -7.973
  473   HG13  VAL  87          HG13      VAL  87  -7.763   5.167  -9.411
  474   HG21  VAL  87          HG21      VAL  87 -10.461   8.274  -8.345
  475   HG22  VAL  87          HG22      VAL  87  -8.846   8.194  -7.598
  476   HG23  VAL  87          HG23      VAL  87 -10.085   6.985  -7.195
  477    H    GLU  88           H        GLU  88  -7.966  10.053 -10.299
  478    HA   GLU  88           HA       GLU  88  -5.077   9.603  -9.961
  479    HB2  GLU  88           HB2      GLU  88  -6.782  12.121  -9.884
  480    HB3  GLU  88           HB3      GLU  88  -5.047  12.079  -9.528
  481    HG2  GLU  88           HG2      GLU  88  -4.650  11.014 -11.778
  482    HG3  GLU  88           HG3      GLU  88  -6.363  11.244 -12.148
  483    H    LEU  89           H        LEU  89  -3.960   9.501  -8.131
  484    HA   LEU  89           HA       LEU  89  -5.255   8.935  -5.631
  485    HB2  LEU  89           HB2      LEU  89  -2.378   9.462  -6.482
  486    HB3  LEU  89           HB3      LEU  89  -2.794   8.973  -4.855
  487    HG   LEU  89           HG       LEU  89  -3.509   7.299  -7.299
  488   HD11  LEU  89          HD11      LEU  89  -1.608   5.886  -6.716
  489   HD12  LEU  89          HD12      LEU  89  -1.160   6.988  -5.388
  490   HD13  LEU  89          HD13      LEU  89  -1.056   7.528  -7.072
  491   HD21  LEU  89          HD21      LEU  89  -3.437   6.681  -4.310
  492   HD22  LEU  89          HD22      LEU  89  -3.696   5.491  -5.594
  493   HD23  LEU  89          HD23      LEU  89  -4.887   6.768  -5.333
  494    H    LEU  90           H        LEU  90  -5.259  10.063  -3.669
  495    HA   LEU  90           HA       LEU  90  -5.542  12.915  -3.769
  496    HB2  LEU  90           HB2      LEU  90  -5.406  10.868  -1.543
  497    HB3  LEU  90           HB3      LEU  90  -5.497  12.586  -1.179
  498    HG   LEU  90           HG       LEU  90  -7.550  11.186  -2.942
  499   HD11  LEU  90          HD11      LEU  90  -9.020  11.273  -0.938
  500   HD12  LEU  90          HD12      LEU  90  -7.626  11.787   0.041
  501   HD13  LEU  90          HD13      LEU  90  -7.647  10.186  -0.747
  502   HD21  LEU  90          HD21      LEU  90  -8.941  13.162  -2.356
  503   HD22  LEU  90          HD22      LEU  90  -7.511  13.613  -3.279
  504   HD23  LEU  90          HD23      LEU  90  -7.545  13.879  -1.522
  505    H    GLY  91           H        GLY  91  -2.710  10.944  -3.120
  506    HA2  GLY  91           HA2      GLY  91  -0.966  13.280  -3.278
  507    HA3  GLY  91           HA3      GLY  91  -1.076  12.561  -1.673
  508    H    LYS  92           H        LYS  92   1.363  12.485  -2.402
  509    HA   LYS  92           HA       LYS  92   2.218  10.282  -4.033
  510    HB2  LYS  92           HB2      LYS  92   3.482  12.434  -3.157
  511    HB3  LYS  92           HB3      LYS  92   3.813  11.441  -1.746
  512    HG2  LYS  92           HG2      LYS  92   5.693  11.173  -3.099
  513    HG3  LYS  92           HG3      LYS  92   4.774   9.700  -3.410
  514    HD2  LYS  92           HD2      LYS  92   3.931  10.704  -5.530
  515    HD3  LYS  92           HD3      LYS  92   4.808  12.206  -5.164
  516    HE2  LYS  92           HE2      LYS  92   6.957  10.975  -5.183
  517    HE3  LYS  92           HE3      LYS  92   6.095   9.464  -5.519
  518    HZ1  LYS  92           HZ1      LYS  92   6.989  10.393  -7.527
  519    HZ2  LYS  92           HZ2      LYS  92   6.170  11.813  -7.342
  520    HZ3  LYS  92           HZ3      LYS  92   5.360  10.417  -7.625
  521    H    MET  93           H        MET  93   2.936   8.201  -3.438
  522    HA   MET  93           HA       MET  93   1.597   6.823  -1.336
  523    HB2  MET  93           HB2      MET  93   2.483   5.808  -3.412
  524    HB3  MET  93           HB3      MET  93   4.137   6.026  -2.836
  525    HG2  MET  93           HG2      MET  93   3.726   4.551  -0.913
  526    HG3  MET  93           HG3      MET  93   2.015   4.461  -1.321
  527    HE1  MET  93           HE1      MET  93   5.384   1.973  -3.339
  528    HE2  MET  93           HE2      MET  93   5.530   2.816  -1.788
  529    HE3  MET  93           HE3      MET  93   5.519   3.744  -3.312
  530    H    TYR  94           H        TYR  94   1.909   7.116   0.835
  531    HA   TYR  94           HA       TYR  94   4.656   7.670   1.845
  532    HB2  TYR  94           HB2      TYR  94   2.848   8.963   2.856
  533    HB3  TYR  94           HB3      TYR  94   1.979   7.491   3.256
  534    HD1  TYR  94           HD1      TYR  94   5.708   7.872   3.755
  535    HD2  TYR  94           HD2      TYR  94   1.799   7.883   5.592
  536    HE1  TYR  94           HE1      TYR  94   6.755   7.854   5.989
  537    HE2  TYR  94           HE2      TYR  94   2.869   7.866   7.832
  538    HH   TYR  94           HH       TYR  94   6.412   7.877   8.272
  539    H    LYS  95           H        LYS  95   2.021   5.227   2.357
  540    HA   LYS  95           HA       LYS  95   4.095   3.094   2.406
  541    HB2  LYS  95           HB2      LYS  95   2.254   3.712   4.758
  542    HB3  LYS  95           HB3      LYS  95   3.081   2.157   4.537
  543    HG2  LYS  95           HG2      LYS  95   5.249   3.380   4.458
  544    HG3  LYS  95           HG3      LYS  95   4.392   4.872   4.907
  545    HD2  LYS  95           HD2      LYS  95   3.606   3.722   6.973
  546    HD3  LYS  95           HD3      LYS  95   4.657   2.341   6.565
  547    HE2  LYS  95           HE2      LYS  95   6.634   3.783   6.654
  548    HE3  LYS  95           HE3      LYS  95   5.619   5.224   6.803
  549    HZ1  LYS  95           HZ1      LYS  95   6.401   4.658   8.958
  550    HZ2  LYS  95           HZ2      LYS  95   5.930   3.095   8.851
  551    HZ3  LYS  95           HZ3      LYS  95   4.806   4.284   8.948
  552    H    THR  96           H        THR  96   3.353   1.020   2.162
  553    HA   THR  96           HA       THR  96   0.431   0.618   1.738
  554    HB   THR  96           HB       THR  96   2.527  -0.886   0.136
  555    HG1  THR  96           HG1      THR  96   2.336   1.273  -0.356
  556   HG21  THR  96          HG21      THR  96   0.536  -1.544  -1.223
  557   HG22  THR  96          HG22      THR  96  -0.520  -0.714  -0.070
  558   HG23  THR  96          HG23      THR  96   0.402  -2.147   0.423
  559    H    TYR  97           H        TYR  97  -0.340  -1.120   2.580
  560    HA   TYR  97           HA       TYR  97   1.370  -2.773   4.416
  561    HB2  TYR  97           HB2      TYR  97  -1.392  -1.620   4.893
  562    HB3  TYR  97           HB3      TYR  97  -0.483  -2.573   6.017
  563    HD1  TYR  97           HD1      TYR  97  -0.605   0.754   4.266
  564    HD2  TYR  97           HD2      TYR  97   1.107  -1.552   7.472
  565    HE1  TYR  97           HE1      TYR  97   0.170   2.826   5.352
  566    HE2  TYR  97           HE2      TYR  97   1.836   0.526   8.565
  567    HH   TYR  97           HH       TYR  97   1.026   3.790   7.329
  568    H    PHE  98           H        PHE  98   1.029  -4.920   4.317
  569    HA   PHE  98           HA       PHE  98  -1.084  -5.994   2.464
  570    HB2  PHE  98           HB2      PHE  98   1.864  -6.600   2.764
  571    HB3  PHE  98           HB3      PHE  98   0.768  -7.614   1.848
  572    HD1  PHE  98           HD1      PHE  98   2.557  -4.364   1.892
  573    HD2  PHE  98           HD2      PHE  98  -0.036  -6.992  -0.328
  574    HE1  PHE  98           HE1      PHE  98   3.077  -3.127  -0.207
  575    HE2  PHE  98           HE2      PHE  98   0.517  -5.770  -2.424
  576    HZ   PHE  98           HZ       PHE  98   2.099  -3.868  -2.363
  577    H    PHE  99           H        PHE  99  -1.952  -7.985   2.911
  578    HA   PHE  99           HA       PHE  99  -1.354  -9.136   5.606
  579    HB2  PHE  99           HB2      PHE  99  -4.136  -8.800   4.506
  580    HB3  PHE  99           HB3      PHE  99  -3.650  -9.144   6.138
  581    HD1  PHE  99           HD1      PHE  99  -3.541  -6.434   3.542
  582    HD2  PHE  99           HD2      PHE  99  -3.586  -7.384   7.728
  583    HE1  PHE  99           HE1      PHE  99  -3.717  -4.057   4.063
  584    HE2  PHE  99           HE2      PHE  99  -3.795  -4.972   8.265
  585    HZ   PHE  99           HZ       PHE  99  -3.758  -3.285   6.443
  586    H    LYS 100           H        LYS 100  -1.432 -11.290   5.803
  587    HA   LYS 100           HA       LYS 100  -1.636 -13.028   3.487
  588    HB2  LYS 100           HB2      LYS 100  -1.518 -13.675   6.438
  589    HB3  LYS 100           HB3      LYS 100  -1.407 -14.864   5.119
  590    HG2  LYS 100           HG2      LYS 100   0.686 -14.403   4.600
  591    HG3  LYS 100           HG3      LYS 100   0.558 -12.674   4.804
  592    HD2  LYS 100           HD2      LYS 100   0.656 -13.019   7.301
  593    HD3  LYS 100           HD3      LYS 100   0.865 -14.760   7.018
  594    HE2  LYS 100           HE2      LYS 100   2.931 -14.198   5.661
  595    HE3  LYS 100           HE3      LYS 100   2.738 -12.510   6.151
  596    HZ1  LYS 100           HZ1      LYS 100   3.113 -14.804   8.015
  597    HZ2  LYS 100           HZ2      LYS 100   2.999 -13.243   8.472
  598    HZ3  LYS 100           HZ3      LYS 100   4.298 -13.767   7.599
  599    H    LYS 101           H        LYS 101  -3.081 -14.905   3.341
  600    HA   LYS 101           HA       LYS 101  -5.872 -14.442   3.314
  601    HB2  LYS 101           HB2      LYS 101  -4.253 -17.010   3.480
  602    HB3  LYS 101           HB3      LYS 101  -6.004 -16.979   3.236
  603    HG2  LYS 101           HG2      LYS 101  -5.797 -15.825   1.128
  604    HG3  LYS 101           HG3      LYS 101  -4.078 -15.539   1.365
  605    HD2  LYS 101           HD2      LYS 101  -3.658 -17.997   1.278
  606    HD3  LYS 101           HD3      LYS 101  -5.388 -18.256   0.950
  607    HE2  LYS 101           HE2      LYS 101  -5.214 -16.876  -1.100
  608    HE3  LYS 101           HE3      LYS 101  -3.506 -16.551  -0.754
  609    HZ1  LYS 101           HZ1      LYS 101  -4.644 -19.235  -1.335
  610    HZ2  LYS 101           HZ2      LYS 101  -3.054 -18.919  -0.998
  611    HZ3  LYS 101           HZ3      LYS 101  -3.754 -18.320  -2.360
  612    H    GLY 102           H        GLY 102  -7.127 -13.894   4.932
  613    HA2  GLY 102           HA2      GLY 102  -8.361 -14.335   6.914
  614    HA3  GLY 102           HA3      GLY 102  -7.131 -15.471   7.450
  615    H    GLU 103           H        GLU 103  -5.438 -12.698   6.558
  616    HA   GLU 103           HA       GLU 103  -5.158 -11.912   9.405
  617    HB2  GLU 103           HB2      GLU 103  -3.207 -12.631   8.011
  618    HB3  GLU 103           HB3      GLU 103  -3.496 -11.227   6.971
  619    HG2  GLU 103           HG2      GLU 103  -2.920  -9.681   8.659
  620    HG3  GLU 103           HG3      GLU 103  -2.859 -10.945   9.899
  621    H    SER 104           H        SER 104  -5.441  -9.886  10.177
  622    HA   SER 104           HA       SER 104  -6.070  -7.611   8.366
  623    HB2  SER 104           HB2      SER 104  -7.799  -8.573  10.640
  624    HB3  SER 104           HB3      SER 104  -7.874  -6.937   9.958
  625    HG   SER 104           HG       SER 104  -9.382  -8.313   9.035
  626    H    LYS 105           H        LYS 105  -3.689  -8.468   9.938
  627    HA   LYS 105           HA       LYS 105  -3.106  -5.650  10.582
  628    HB2  LYS 105           HB2      LYS 105  -3.486  -6.586  12.807
  629    HB3  LYS 105           HB3      LYS 105  -2.328  -7.893  12.479
  630    HG2  LYS 105           HG2      LYS 105  -0.481  -6.359  12.403
  631    HG3  LYS 105           HG3      LYS 105  -1.534  -4.952  12.381
  632    HD2  LYS 105           HD2      LYS 105  -0.632  -5.151  14.619
  633    HD3  LYS 105           HD3      LYS 105  -2.349  -5.582  14.695
  634    HE2  LYS 105           HE2      LYS 105  -1.786  -7.950  14.556
  635    HE3  LYS 105           HE3      LYS 105  -0.058  -7.559  14.472
  636    HZ1  LYS 105           HZ1      LYS 105  -1.755  -6.700  16.744
  637    HZ2  LYS 105           HZ2      LYS 105  -0.124  -6.774  16.706
  638    HZ3  LYS 105           HZ3      LYS 105  -0.975  -8.159  16.748
  639    H    SER 106           H        SER 106  -1.593  -5.137   9.179
  640    HA   SER 106           HA       SER 106  -0.745  -7.023   7.305
  641    HB2  SER 106           HB2      SER 106   0.538  -5.218   6.303
  642    HB3  SER 106           HB3      SER 106  -1.034  -4.628   6.861
  643    HG   SER 106           HG       SER 106   1.507  -4.379   8.067
  644    H    SER 107           H        SER 107   0.612  -8.781   7.783
  645    HA   SER 107           HA       SER 107   3.042  -8.502   9.345
  646    HB2  SER 107           HB2      SER 107   1.827 -10.610   9.060
  647    HB3  SER 107           HB3      SER 107   2.198 -10.611   7.331
  648    HG   SER 107           HG       SER 107   4.170 -10.599   9.407
  649    H    TYR 108           H        TYR 108   2.370  -7.609   6.087
  650    HA   TYR 108           HA       TYR 108   5.287  -7.154   5.600
  651    HB2  TYR 108           HB2      TYR 108   4.557  -9.067   4.336
  652    HB3  TYR 108           HB3      TYR 108   3.167  -8.192   3.721
  653    HD1  TYR 108           HD1      TYR 108   6.918  -7.812   3.808
  654    HD2  TYR 108           HD2      TYR 108   3.318  -7.625   1.470
  655    HE1  TYR 108           HE1      TYR 108   8.262  -7.245   1.760
  656    HE2  TYR 108           HE2      TYR 108   4.633  -7.020  -0.525
  657    HH   TYR 108           HH       TYR 108   6.745  -6.802  -1.443
  658    H    VAL 109           H        VAL 109   5.855  -5.260   4.763
  659    HA   VAL 109           HA       VAL 109   3.854  -3.213   3.959
  660    HB   VAL 109           HB       VAL 109   5.215  -1.571   5.453
  661   HG11  VAL 109          HG11      VAL 109   3.322  -3.506   6.787
  662   HG12  VAL 109          HG12      VAL 109   2.897  -2.034   5.855
  663   HG13  VAL 109          HG13      VAL 109   3.807  -1.892   7.378
  664   HG21  VAL 109          HG21      VAL 109   6.838  -3.440   6.096
  665   HG22  VAL 109          HG22      VAL 109   5.594  -4.037   7.187
  666   HG23  VAL 109          HG23      VAL 109   6.234  -2.386   7.409
  667    H    ILE 110           H        ILE 110   4.701  -1.409   2.904
  668    HA   ILE 110           HA       ILE 110   7.543  -1.461   2.028
  669    HB   ILE 110           HB       ILE 110   5.253  -1.296   0.076
  670   HG12  ILE 110          HG12      ILE 110   6.701  -3.827   0.924
  671   HG13  ILE 110          HG13      ILE 110   4.977  -3.522   0.898
  672   HG21  ILE 110          HG21      ILE 110   8.230  -1.829  -0.277
  673   HG22  ILE 110          HG22      ILE 110   7.397  -0.298  -0.630
  674   HG23  ILE 110          HG23      ILE 110   7.062  -1.711  -1.604
  675   HD11  ILE 110          HD11      ILE 110   5.349  -4.918  -0.916
  676   HD12  ILE 110          HD12      ILE 110   6.843  -4.093  -1.372
  677   HD13  ILE 110          HD13      ILE 110   5.239  -3.320  -1.658
  678    H    ASN 111           H        ASN 111   8.304   0.624   1.620
  679    HA   ASN 111           HA       ASN 111   6.372   2.802   2.327
  680    HB2  ASN 111           HB2      ASN 111   9.318   2.582   3.005
  681    HB3  ASN 111           HB3      ASN 111   8.217   3.849   3.524
  682   HD21  ASN 111          HD21      ASN 111   9.774   2.291   5.330
  683   HD22  ASN 111          HD22      ASN 111   8.600   1.404   6.327
  684    H    GLY 112           H        GLY 112   6.705   4.892   1.469
  685    HA2  GLY 112           HA2      GLY 112   8.277   5.113  -1.066
  686    HA3  GLY 112           HA3      GLY 112   6.526   5.314  -1.090
  687    HA   PRO 113           HA       PRO 113   8.976   9.200  -0.107
  688    HB2  PRO 113           HB2      PRO 113   8.823  10.637  -2.422
  689    HB3  PRO 113           HB3      PRO 113   9.864   9.202  -2.253
  690    HG2  PRO 113           HG2      PRO 113   7.065   9.311  -3.403
  691    HG3  PRO 113           HG3      PRO 113   8.516   8.628  -4.178
  692    HD2  PRO 113           HD2      PRO 113   6.719   7.107  -2.789
  693    HD3  PRO 113           HD3      PRO 113   8.465   6.737  -2.766
  694    H    GLY 114           H        GLY 114   6.200   8.702   0.658
  695    HA2  GLY 114           HA2      GLY 114   4.794  11.275   0.273
  696    HA3  GLY 114           HA3      GLY 114   4.208   9.865   1.136
  697    H    LYS 115           H        LYS 115   6.795   9.824   2.813
  698    HA   LYS 115           HA       LYS 115   7.510  10.470   4.826
  699    HB2  LYS 115           HB2      LYS 115   8.305  12.282   3.390
  700    HB3  LYS 115           HB3      LYS 115   6.908  13.256   3.776
  701    HG2  LYS 115           HG2      LYS 115   8.664  12.255   6.027
  702    HG3  LYS 115           HG3      LYS 115   9.274  13.529   4.984
  703    HD2  LYS 115           HD2      LYS 115   6.696  13.724   6.595
  704    HD3  LYS 115           HD3      LYS 115   8.257  14.413   7.024
  705    HE2  LYS 115           HE2      LYS 115   8.204  15.753   4.884
  706    HE3  LYS 115           HE3      LYS 115   6.567  15.146   4.592
  707    HZ1  LYS 115           HZ1      LYS 115   6.364  17.239   5.686
  708    HZ2  LYS 115           HZ2      LYS 115   7.462  16.807   6.865
  709    HZ3  LYS 115           HZ3      LYS 115   5.999  16.105   6.829
  710    H    THR 116           H        THR 116   4.224  11.567   4.252
  711    HA   THR 116           HA       THR 116   3.384  10.935   6.964
  712    HB   THR 116           HB       THR 116   4.283  13.168   7.384
  713    HG1  THR 116           HG1      THR 116   2.565  13.307   8.547
  714   HG21  THR 116          HG21      THR 116   2.466  14.151   5.135
  715   HG22  THR 116          HG22      THR 116   4.244  14.162   5.117
  716   HG23  THR 116          HG23      THR 116   3.358  15.178   6.265
  717    H    ASN 117           H        ASN 117   0.986  11.185   7.145
  718    HA   ASN 117           HA       ASN 117  -0.425  11.158   4.529
  719    HB2  ASN 117           HB2      ASN 117  -1.333  10.555   7.379
  720    HB3  ASN 117           HB3      ASN 117  -2.331  10.431   5.933
  721   HD21  ASN 117          HD21      ASN 117  -1.083   9.091   4.087
  722   HD22  ASN 117          HD22      ASN 117  -0.376   7.588   4.688
  723    H    GLU 118           H        GLU 118   0.398  13.388   7.031
  724    HA   GLU 118           HA       GLU 118  -2.148  14.813   7.043
  725    HB2  GLU 118           HB2      GLU 118   0.447  15.236   8.559
  726    HB3  GLU 118           HB3      GLU 118  -1.036  16.171   8.804
  727    HG2  GLU 118           HG2      GLU 118  -2.277  14.077   9.323
  728    HG3  GLU 118           HG3      GLU 118  -0.780  13.152   9.155
  729    H    TYR 119           H        TYR 119  -2.103  15.368   4.784
  730    HA   TYR 119           HA       TYR 119  -1.931  16.860   3.102
  731    HB2  TYR 119           HB2      TYR 119  -3.552  17.651   4.845
  732    HB3  TYR 119           HB3      TYR 119  -2.377  18.873   5.295
  733    HD1  TYR 119           HD1      TYR 119  -4.412  17.526   2.440
  734    HD2  TYR 119           HD2      TYR 119  -2.320  20.935   4.042
  735    HE1  TYR 119           HE1      TYR 119  -5.312  18.937   0.604
  736    HE2  TYR 119           HE2      TYR 119  -3.214  22.348   2.193
  737    HH   TYR 119           HH       TYR 119  -5.178  20.953  -0.438
  738    H    ALA 120           H        ALA 120   0.520  16.205   3.220
  739    HA   ALA 120           HA       ALA 120   2.468  18.293   3.465
  740    HB1  ALA 120           HB1      ALA 120   3.037  15.921   3.598
  741    HB2  ALA 120           HB2      ALA 120   3.925  16.697   2.282
  742    HB3  ALA 120           HB3      ALA 120   2.523  15.671   1.912
  743    H    TYR 121           H        TYR 121   0.901  19.825   2.379
  744    HA   TYR 121           HA       TYR 121   0.768  20.173  -0.461
  745    HB2  TYR 121           HB2      TYR 121  -0.653  21.297   1.253
  746    HB3  TYR 121           HB3      TYR 121   0.744  22.180   1.829
  747    HD1  TYR 121           HD1      TYR 121  -1.412  21.644  -1.175
  748    HD2  TYR 121           HD2      TYR 121   1.376  24.244   0.838
  749    HE1  TYR 121           HE1      TYR 121  -1.970  23.478  -2.772
  750    HE2  TYR 121           HE2      TYR 121   0.819  26.075  -0.746
  751    HH   TYR 121           HH       TYR 121  -0.522  26.742  -2.440
  752    H1   ACE   6           H1       ACE   6  17.660   4.043  -9.453
  753    H2   ACE   6           H2       ACE   6  16.812   3.411 -10.873
  754    H3   ACE   6           H3       ACE   6  16.598   2.626  -9.297
  755    H    THR   7           H        THR   7  14.316   3.179 -10.380
  756    HA   THR   7           HA       THR   7  13.292   5.575  -8.924
  757    HB   THR   7           HB       THR   7  13.656   5.995 -11.381
  758    HG1  THR   7           HG1      THR   7  12.337   7.385 -10.560
  759   HG21  THR   7          HG21      THR   7  11.224   4.203 -11.775
  760   HG22  THR   7          HG22      THR   7  12.882   3.827 -12.300
  761   HG23  THR   7          HG23      THR   7  12.029   5.208 -12.997
  762    H    THR   8           H        THR   8  13.309   2.629  -8.515
  763    HA   THR   8           HA       THR   8  10.585   2.277  -7.488
  764    HB   THR   8           HB       THR   8  10.585   1.639  -9.932
  765    HG1  THR   8           HG1      THR   8   9.832  -0.272  -7.975
  766   HG21  THR   8          HG21      THR   8  12.704   0.368  -9.966
  767   HG22  THR   8          HG22      THR   8  11.938  -0.889  -8.979
  768   HG23  THR   8          HG23      THR   8  11.312  -0.519 -10.602
  769    HA   PRO   9           HA       PRO   9  13.149  -1.343  -5.944
  770    HB2  PRO   9           HB2      PRO   9  15.769  -1.243  -5.458
  771    HB3  PRO   9           HB3      PRO   9  15.041  -1.482  -7.085
  772    HG2  PRO   9           HG2      PRO   9  16.012   1.141  -5.886
  773    HG3  PRO   9           HG3      PRO   9  16.498   0.418  -7.458
  774    HD2  PRO   9           HD2      PRO   9  14.532   2.258  -7.224
  775    HD3  PRO   9           HD3      PRO   9  14.429   0.936  -8.429
  776    H    ASP  10           H        ASP  10  11.768  -0.694  -4.435
  777    HA   ASP  10           HA       ASP  10  13.042  -0.668  -1.768
  778    HB2  ASP  10           HB2      ASP  10  10.620   1.054  -2.493
  779    HB3  ASP  10           HB3      ASP  10  10.986   0.532  -0.848
  780    H2   TYS  11           H2       TYS  11  12.872  -2.896  -2.354
  781    HA   TYS  11           HA       TYS  11  10.192  -4.013  -2.848
  782    HB2  TYS  11           HB2      TYS  11  12.926  -5.035  -3.665
  783    HB3  TYS  11           HB3      TYS  11  11.513  -6.077  -3.609
  784    HD1  TYS  11           HD1      TYS  11   9.282  -4.948  -4.547
  785    HD2  TYS  11           HD2      TYS  11  13.243  -3.789  -5.744
  786    HE1  TYS  11           HE1      TYS  11   8.381  -3.949  -6.494
  787    HE2  TYS  11           HE2      TYS  11  12.310  -2.851  -7.802
  788    H    GLY  12           H        GLY  12  10.042  -3.329  -1.015
  789    HA2  GLY  12           HA2      GLY  12   8.798  -3.725   0.787
  790    HA3  GLY  12           HA3      GLY  12   8.792  -5.388   0.258
  791    H    HIS  13           H        HIS  13   8.464  -4.764   2.969
  792    HA   HIS  13           HA       HIS  13  10.535  -6.579   3.950
  793    HB2  HIS  13           HB2      HIS  13  10.996  -5.291   5.965
  794    HB3  HIS  13           HB3      HIS  13  11.652  -4.505   4.528
  795    HD1  HIS  13           HD1      HIS  13  10.005  -2.435   3.503
  796    HD2  HIS  13           HD2      HIS  13   9.227  -3.808   7.430
  797    HE1  HIS  13           HE1      HIS  13   8.379  -0.762   4.573
  798    HE2  HIS  13           HE2      HIS  13   8.262  -1.350   7.063
  799    H2   TYS  14           H2       TYS  14   9.949  -7.684   5.815
  800    HA   TYS  14           HA       TYS  14   7.092  -7.397   6.608
  801    HB2  TYS  14           HB2      TYS  14   9.112  -9.588   7.219
  802    HB3  TYS  14           HB3      TYS  14   7.508  -9.489   7.902
  803    HD1  TYS  14           HD1      TYS  14   9.059  -9.494   4.342
  804    HD2  TYS  14           HD2      TYS  14   5.749 -10.679   6.897
  805    HE1  TYS  14           HE1      TYS  14   8.338 -11.005   2.702
  806    HE2  TYS  14           HE2      TYS  14   5.045 -12.237   5.177
  807    H    ASP  15           H        ASP  15   6.435  -7.084   8.647
  808    HA   ASP  15           HA       ASP  15   8.360  -6.065  10.614
  809    HB2  ASP  15           HB2      ASP  15   7.794  -4.159   8.907
  810    HB3  ASP  15           HB3      ASP  15   6.247  -4.098   9.668
  811    H    ASP  16           H        ASP  16   7.181  -5.287  12.580
  812    HA   ASP  16           HA       ASP  16   4.668  -6.836  13.069
  813    HB2  ASP  16           HB2      ASP  16   7.134  -6.889  14.817
  814    HB3  ASP  16           HB3      ASP  16   5.585  -7.641  15.190
  815    H    LYS  17           H        LYS  17   6.414  -3.875  13.625
  816    HA   LYS  17           HA       LYS  17   4.334  -3.044  15.612
  817    HB2  LYS  17           HB2      LYS  17   5.766  -2.295  17.056
  818    HB3  LYS  17           HB3      LYS  17   6.892  -3.397  16.306
  819    HG2  LYS  17           HG2      LYS  17   6.670  -0.388  15.879
  820    HG3  LYS  17           HG3      LYS  17   7.886  -1.239  16.803
  821    HD2  LYS  17           HD2      LYS  17   7.584  -1.339  13.784
  822    HD3  LYS  17           HD3      LYS  17   8.779  -0.437  14.695
  823    HE2  LYS  17           HE2      LYS  17   9.803  -2.482  15.515
  824    HE3  LYS  17           HE3      LYS  17   8.534  -3.471  14.776
  825    HZ1  LYS  17           HZ1      LYS  17  10.635  -3.247  13.432
  826    HZ2  LYS  17           HZ2      LYS  17  10.264  -1.672  13.185
  827    HZ3  LYS  17           HZ3      LYS  17   9.257  -2.826  12.615
  828    H    ASP  18           H        ASP  18   5.812  -2.204  12.602
  829    HA   ASP  18           HA       ASP  18   4.545   0.473  12.684
  830    HB2  ASP  18           HB2      ASP  18   6.932  -0.053  11.841
  831    HB3  ASP  18           HB3      ASP  18   6.150  -0.711  10.401
  832    H    THR  19           H        THR  19   3.386  -2.473  12.090
  833    HA   THR  19           HA       THR  19   1.979  -2.518   9.671
  834    HB   THR  19           HB       THR  19   2.146  -4.495  11.065
  835    HG1  THR  19           HG1      THR  19   0.408  -4.485   9.814
  836   HG21  THR  19          HG21      THR  19   0.317  -3.282  13.121
  837   HG22  THR  19          HG22      THR  19   2.083  -3.350  13.331
  838   HG23  THR  19          HG23      THR  19   1.178  -4.841  13.148
  839    H    LEU  20           H        LEU  20  -0.352  -2.402   9.249
  840    HA   LEU  20           HA       LEU  20  -1.837  -0.385  10.839
  841    HB2  LEU  20           HB2      LEU  20  -1.647   0.296   8.456
  842    HB3  LEU  20           HB3      LEU  20  -2.210  -1.307   7.962
  843    HG   LEU  20           HG       LEU  20  -4.361  -0.845   9.153
  844   HD11  LEU  20          HD11      LEU  20  -3.683   0.903  10.751
  845   HD12  LEU  20          HD12      LEU  20  -4.930   1.525   9.669
  846   HD13  LEU  20          HD13      LEU  20  -3.230   1.979   9.408
  847   HD21  LEU  20          HD21      LEU  20  -3.501   1.130   6.991
  848   HD22  LEU  20          HD22      LEU  20  -5.186   0.663   7.374
  849   HD23  LEU  20          HD23      LEU  20  -4.037  -0.542   6.789
  850    H    ASP  21           H        ASP  21  -3.087  -1.370  12.215
  851    HA   ASP  21           HA       ASP  21  -3.910  -4.166  11.986
  852    HB2  ASP  21           HB2      ASP  21  -4.334  -3.970  14.356
  853    HB3  ASP  21           HB3      ASP  21  -2.709  -3.448  13.940
  854    H    LEU  22           H        LEU  22  -5.479  -4.134  10.497
  855    HA   LEU  22           HA       LEU  22  -7.724  -2.340  10.293
  856    HB2  LEU  22           HB2      LEU  22  -6.690  -4.820   8.981
  857    HB3  LEU  22           HB3      LEU  22  -8.436  -4.708   9.017
  858    HG   LEU  22           HG       LEU  22  -8.347  -2.604   7.758
  859   HD11  LEU  22          HD11      LEU  22  -5.335  -2.991   8.046
  860   HD12  LEU  22          HD12      LEU  22  -6.320  -1.604   8.567
  861   HD13  LEU  22          HD13      LEU  22  -6.092  -1.914   6.840
  862   HD21  LEU  22          HD21      LEU  22  -6.471  -4.724   6.614
  863   HD22  LEU  22          HD22      LEU  22  -7.374  -3.514   5.681
  864   HD23  LEU  22          HD23      LEU  22  -8.254  -4.790   6.541
  865    H    ASN  23           H        ASN  23  -7.378  -5.613  11.479
  866    HA   ASN  23           HA       ASN  23  -8.899  -7.206  12.079
  867    HB2  ASN  23           HB2      ASN  23  -8.323  -5.361  14.377
  868    HB3  ASN  23           HB3      ASN  23  -9.016  -6.965  14.587
  869   HD21  ASN  23          HD21      ASN  23  -6.144  -5.399  14.671
  870   HD22  ASN  23          HD22      ASN  23  -5.137  -6.846  14.448
  871    H    THR  24           H        THR  24 -10.785  -4.612  11.411
  872    HA   THR  24           HA       THR  24 -13.183  -6.190  12.172
  873    HB   THR  24           HB       THR  24 -12.949  -4.478  13.780
  874    HG1  THR  24           HG1      THR  24 -14.974  -3.369  12.237
  875   HG21  THR  24          HG21      THR  24 -11.702  -2.724  12.717
  876   HG22  THR  24          HG22      THR  24 -12.982  -2.451  11.525
  877   HG23  THR  24          HG23      THR  24 -13.251  -2.068  13.239
  878    HA   PRO  25           HA       PRO  25 -14.449  -4.555   7.979
  879    HB2  PRO  25           HB2      PRO  25 -12.626  -3.834   6.115
  880    HB3  PRO  25           HB3      PRO  25 -13.256  -2.672   7.320
  881    HG2  PRO  25           HG2      PRO  25 -10.613  -4.124   7.338
  882    HG3  PRO  25           HG3      PRO  25 -10.970  -2.434   7.804
  883    HD2  PRO  25           HD2      PRO  25 -10.719  -4.574   9.544
  884    HD3  PRO  25           HD3      PRO  25 -11.550  -3.033   9.925
  885    H    VAL  26           H        VAL  26 -14.998  -6.443   6.930
  886    HA   VAL  26           HA       VAL  26 -12.946  -8.111   5.702
  887    HB   VAL  26           HB       VAL  26 -12.844  -8.984   7.962
  888   HG11  VAL  26          HG11      VAL  26 -14.642 -10.185   9.035
  889   HG12  VAL  26          HG12      VAL  26 -15.750  -9.823   7.701
  890   HG13  VAL  26          HG13      VAL  26 -15.150  -8.516   8.748
  891   HG21  VAL  26          HG21      VAL  26 -12.462 -10.493   6.037
  892   HG22  VAL  26          HG22      VAL  26 -14.165 -11.008   6.120
  893   HG23  VAL  26          HG23      VAL  26 -13.071 -11.328   7.473
  894    H    ASP  27           H        ASP  27 -13.608  -9.037   3.928
  895    HA   ASP  27           HA       ASP  27 -16.512  -9.509   3.375
  896    HB2  ASP  27           HB2      ASP  27 -14.601  -7.684   1.865
  897    HB3  ASP  27           HB3      ASP  27 -16.028  -8.375   1.125
  898    H    LYS  28           H        LYS  28 -13.130 -10.303   2.597
  899    HA   LYS  28           HA       LYS  28 -13.870 -12.873   1.561
  900    HB2  LYS  28           HB2      LYS  28 -13.065 -12.616  -0.739
  901    HB3  LYS  28           HB3      LYS  28 -14.432 -11.584  -0.438
  902    HG2  LYS  28           HG2      LYS  28 -12.697  -9.682  -0.053
  903    HG3  LYS  28           HG3      LYS  28 -11.516 -10.814  -0.731
  904    HD2  LYS  28           HD2      LYS  28 -12.232  -9.422  -2.533
  905    HD3  LYS  28           HD3      LYS  28 -13.032 -10.980  -2.786
  906    HE2  LYS  28           HE2      LYS  28 -15.095 -10.058  -1.696
  907    HE3  LYS  28           HE3      LYS  28 -14.271  -8.511  -1.473
  908    HZ1  LYS  28           HZ1      LYS  28 -15.680  -8.503  -3.444
  909    HZ2  LYS  28           HZ2      LYS  28 -14.116  -8.327  -3.903
  910    HZ3  LYS  28           HZ3      LYS  28 -14.894  -9.783  -4.077
  911    HN1  NH2  29           HN1      NH2  29 -10.418 -13.790   1.601
  912    HN2  NH2  29           HN2      NH2  29 -11.957 -14.155   0.836
  Start of MODEL   14
    1    H1   ASN  31           H1       ASN  31   2.742  19.073  -4.536
    2    H2   ASN  31           H2       ASN  31   1.244  19.383  -5.146
    3    H3   ASN  31           H3       ASN  31   1.660  19.971  -3.672
    4    HA   ASN  31           HA       ASN  31   1.693  21.733  -5.195
    5    HB2  ASN  31           HB2      ASN  31   4.498  20.899  -4.340
    6    HB3  ASN  31           HB3      ASN  31   4.088  22.463  -5.042
    7   HD21  ASN  31          HD21      ASN  31   4.332  23.878  -3.290
    8   HD22  ASN  31          HD22      ASN  31   3.511  23.613  -1.751
    9    H    SER  32           H        SER  32   4.281  19.450  -6.306
   10    HA   SER  32           HA       SER  32   3.581  20.028  -9.139
   11    HB2  SER  32           HB2      SER  32   6.336  20.486  -7.929
   12    HB3  SER  32           HB3      SER  32   5.945  20.558  -9.655
   13    HG   SER  32           HG       SER  32   6.018  22.583  -8.707
   14    H    GLY  33           H        GLY  33   3.811  17.554  -7.131
   15    HA2  GLY  33           HA2      GLY  33   5.081  15.716  -9.074
   16    HA3  GLY  33           HA3      GLY  33   5.941  15.937  -7.555
   17    H    LEU  34           H        LEU  34   3.331  14.408  -9.167
   18    HA   LEU  34           HA       LEU  34   2.650  12.733  -6.808
   19    HB2  LEU  34           HB2      LEU  34   0.730  14.301  -8.593
   20    HB3  LEU  34           HB3      LEU  34   0.203  13.003  -7.539
   21    HG   LEU  34           HG       LEU  34   1.492  15.563  -6.530
   22   HD11  LEU  34          HD11      LEU  34  -0.792  16.130  -5.791
   23   HD12  LEU  34          HD12      LEU  34  -1.423  14.655  -6.556
   24   HD13  LEU  34          HD13      LEU  34  -0.734  15.955  -7.550
   25   HD21  LEU  34          HD21      LEU  34   0.589  14.761  -4.348
   26   HD22  LEU  34          HD22      LEU  34   1.817  13.670  -4.989
   27   HD23  LEU  34          HD23      LEU  34   0.094  13.249  -5.152
   28    HA   PRO  35           HA       PRO  35   1.687   9.738 -10.246
   29    HB2  PRO  35           HB2      PRO  35   0.249   7.911  -8.902
   30    HB3  PRO  35           HB3      PRO  35   2.001   8.057  -8.624
   31    HG2  PRO  35           HG2      PRO  35  -0.240   9.236  -6.955
   32    HG3  PRO  35           HG3      PRO  35   1.193   8.308  -6.402
   33    HD2  PRO  35           HD2      PRO  35   1.052  11.076  -6.436
   34    HD3  PRO  35           HD3      PRO  35   2.574  10.163  -6.616
   35    H    THR  36           H        THR  36  -0.928   8.628 -10.438
   36    HA   THR  36           HA       THR  36  -2.881  10.741  -9.766
   37    HB   THR  36           HB       THR  36  -2.028  11.671 -11.713
   38    HG1  THR  36           HG1      THR  36  -4.303  11.646 -11.432
   39   HG21  THR  36          HG21      THR  36  -2.101  10.635 -13.955
   40   HG22  THR  36          HG22      THR  36  -2.630   9.098 -13.232
   41   HG23  THR  36          HG23      THR  36  -1.013   9.752 -12.887
   42    H    THR  37           H        THR  37  -2.389   7.460 -11.024
   43    HA   THR  37           HA       THR  37  -5.202   6.948 -10.229
   44    HB   THR  37           HB       THR  37  -5.454   5.466 -12.311
   45    HG1  THR  37           HG1      THR  37  -4.335   6.982 -14.009
   46   HG21  THR  37          HG21      THR  37  -6.740   7.555 -11.844
   47   HG22  THR  37          HG22      THR  37  -6.453   7.276 -13.568
   48   HG23  THR  37          HG23      THR  37  -5.492   8.485 -12.687
   49    H    LEU  38           H        LEU  38  -5.639   5.183  -9.264
   50    HA   LEU  38           HA       LEU  38  -3.626   3.783  -7.984
   51    HB2  LEU  38           HB2      LEU  38  -6.234   4.117  -7.616
   52    HB3  LEU  38           HB3      LEU  38  -6.328   2.502  -8.317
   53    HG   LEU  38           HG       LEU  38  -4.941   3.420  -5.789
   54   HD11  LEU  38          HD11      LEU  38  -6.568   1.886  -4.700
   55   HD12  LEU  38          HD12      LEU  38  -7.274   1.526  -6.291
   56   HD13  LEU  38          HD13      LEU  38  -7.360   3.169  -5.618
   57   HD21  LEU  38          HD21      LEU  38  -3.512   1.640  -6.610
   58   HD22  LEU  38          HD22      LEU  38  -4.922   0.618  -6.987
   59   HD23  LEU  38          HD23      LEU  38  -4.491   0.994  -5.302
   60    H    GLY  39           H        GLY  39  -5.353   2.697 -10.960
   61    HA2  GLY  39           HA2      GLY  39  -4.477   0.065 -11.149
   62    HA3  GLY  39           HA3      GLY  39  -4.698   1.138 -12.529
   63    H    LYS  40           H        LYS  40  -2.497   2.956 -11.900
   64    HA   LYS  40           HA       LYS  40  -0.238   1.482 -13.008
   65    HB2  LYS  40           HB2      LYS  40  -0.474   4.289 -11.858
   66    HB3  LYS  40           HB3      LYS  40   0.936   3.673 -12.720
   67    HG2  LYS  40           HG2      LYS  40  -0.323   3.430 -14.776
   68    HG3  LYS  40           HG3      LYS  40  -1.849   3.820 -13.964
   69    HD2  LYS  40           HD2      LYS  40  -1.092   6.091 -13.485
   70    HD3  LYS  40           HD3      LYS  40   0.508   5.737 -14.146
   71    HE2  LYS  40           HE2      LYS  40  -0.803   7.026 -15.733
   72    HE3  LYS  40           HE3      LYS  40  -0.440   5.433 -16.392
   73    HZ1  LYS  40           HZ1      LYS  40  -2.671   4.751 -16.023
   74    HZ2  LYS  40           HZ2      LYS  40  -3.028   6.051 -15.073
   75    HZ3  LYS  40           HZ3      LYS  40  -2.760   6.269 -16.676
   76    H    LEU  41           H        LEU  41  -0.947   2.882  -9.788
   77    HA   LEU  41           HA       LEU  41   1.483   2.023  -8.531
   78    HB2  LEU  41           HB2      LEU  41  -0.250   3.801  -7.755
   79    HB3  LEU  41           HB3      LEU  41  -1.213   2.438  -7.188
   80    HG   LEU  41           HG       LEU  41   0.994   1.728  -5.915
   81   HD11  LEU  41          HD11      LEU  41   2.372   3.650  -5.255
   82   HD12  LEU  41          HD12      LEU  41   1.495   4.703  -6.367
   83   HD13  LEU  41          HD13      LEU  41   2.497   3.373  -6.997
   84   HD21  LEU  41          HD21      LEU  41   0.406   3.039  -3.992
   85   HD22  LEU  41          HD22      LEU  41  -1.072   2.507  -4.814
   86   HD23  LEU  41          HD23      LEU  41  -0.517   4.192  -4.995
   87    H    ASP  42           H        ASP  42  -1.729   0.459  -8.805
   88    HA   ASP  42           HA       ASP  42  -1.275  -1.861  -7.242
   89    HB2  ASP  42           HB2      ASP  42  -3.476  -1.277  -8.025
   90    HB3  ASP  42           HB3      ASP  42  -2.956  -1.241  -9.704
   91    H    GLU  43           H        GLU  43  -0.317  -1.232 -10.608
   92    HA   GLU  43           HA       GLU  43   0.744  -3.887 -11.080
   93    HB2  GLU  43           HB2      GLU  43   0.145  -2.322 -12.863
   94    HB3  GLU  43           HB3      GLU  43   1.364  -1.175 -12.316
   95    HG2  GLU  43           HG2      GLU  43   3.164  -2.737 -12.908
   96    HG3  GLU  43           HG3      GLU  43   1.965  -3.959 -13.377
   97    H    ARG  44           H        ARG  44   2.259  -0.862  -9.787
   98    HA   ARG  44           HA       ARG  44   4.881  -2.017  -9.441
   99    HB2  ARG  44           HB2      ARG  44   3.488   0.299  -8.006
  100    HB3  ARG  44           HB3      ARG  44   5.160  -0.173  -7.796
  101    HG2  ARG  44           HG2      ARG  44   5.511   0.180 -10.284
  102    HG3  ARG  44           HG3      ARG  44   3.882   0.875 -10.339
  103    HD2  ARG  44           HD2      ARG  44   4.596   2.583  -8.645
  104    HD3  ARG  44           HD3      ARG  44   6.232   1.884  -8.673
  105    HE   ARG  44           HE       ARG  44   5.275   2.598 -11.330
  106   HH11  ARG  44          HH11      ARG  44   6.952   4.080  -8.551
  107   HH12  ARG  44          HH12      ARG  44   7.703   5.230  -9.616
  108   HH21  ARG  44          HH21      ARG  44   6.108   4.156 -12.460
  109   HH22  ARG  44          HH22      ARG  44   7.054   5.434 -11.725
  110    H    LEU  45           H        LEU  45   2.072  -1.763  -7.186
  111    HA   LEU  45           HA       LEU  45   3.466  -3.082  -5.033
  112    HB2  LEU  45           HB2      LEU  45   0.535  -2.512  -5.540
  113    HB3  LEU  45           HB3      LEU  45   1.160  -3.146  -4.020
  114    HG   LEU  45           HG       LEU  45   2.091  -0.500  -5.239
  115   HD11  LEU  45          HD11      LEU  45   0.067  -0.986  -3.032
  116   HD12  LEU  45          HD12      LEU  45  -0.293  -0.382  -4.668
  117   HD13  LEU  45          HD13      LEU  45   0.700   0.584  -3.555
  118   HD21  LEU  45          HD21      LEU  45   2.386  -1.540  -2.398
  119   HD22  LEU  45          HD22      LEU  45   2.955   0.004  -3.029
  120   HD23  LEU  45          HD23      LEU  45   3.694  -1.488  -3.594
  121    H    ARG  46           H        ARG  46   1.358  -4.485  -7.557
  122    HA   ARG  46           HA       ARG  46   1.544  -7.181  -6.454
  123    HB2  ARG  46           HB2      ARG  46   0.908  -6.147  -9.248
  124    HB3  ARG  46           HB3      ARG  46   0.922  -7.867  -8.821
  125    HG2  ARG  46           HG2      ARG  46  -0.776  -7.484  -7.067
  126    HG3  ARG  46           HG3      ARG  46  -0.798  -5.760  -7.450
  127    HD2  ARG  46           HD2      ARG  46  -1.427  -6.526  -9.857
  128    HD3  ARG  46           HD3      ARG  46  -1.819  -8.076  -9.118
  129    HE   ARG  46           HE       ARG  46  -3.038  -5.400  -8.431
  130   HH11  ARG  46          HH11      ARG  46  -3.760  -8.840  -8.815
  131   HH12  ARG  46          HH12      ARG  46  -5.340  -8.578  -8.096
  132   HH21  ARG  46          HH21      ARG  46  -4.916  -5.236  -7.656
  133   HH22  ARG  46          HH22      ARG  46  -5.986  -6.647  -7.399
  134    H    ASN  47           H        ASN  47   3.706  -5.241  -8.471
  135    HA   ASN  47           HA       ASN  47   5.642  -7.423  -8.833
  136    HB2  ASN  47           HB2      ASN  47   5.674  -4.428  -9.278
  137    HB3  ASN  47           HB3      ASN  47   7.186  -5.292  -9.137
  138   HD21  ASN  47          HD21      ASN  47   4.265  -4.909 -11.052
  139   HD22  ASN  47          HD22      ASN  47   4.963  -5.679 -12.484
  140    H    TYR  48           H        TYR  48   5.392  -4.708  -6.413
  141    HA   TYR  48           HA       TYR  48   7.757  -5.225  -5.086
  142    HB2  TYR  48           HB2      TYR  48   5.187  -4.070  -4.127
  143    HB3  TYR  48           HB3      TYR  48   6.504  -4.319  -3.082
  144    HD1  TYR  48           HD1      TYR  48   8.658  -3.163  -3.428
  145    HD2  TYR  48           HD2      TYR  48   5.068  -1.912  -5.356
  146    HE1  TYR  48           HE1      TYR  48   9.571  -0.828  -3.619
  147    HE2  TYR  48           HE2      TYR  48   5.932   0.396  -5.527
  148    HH   TYR  48           HH       TYR  48   9.031   1.316  -4.072
  149    H    LEU  49           H        LEU  49   4.658  -6.921  -4.363
  150    HA   LEU  49           HA       LEU  49   5.922  -8.470  -2.264
  151    HB2  LEU  49           HB2      LEU  49   3.535  -9.183  -4.020
  152    HB3  LEU  49           HB3      LEU  49   4.076 -10.119  -2.624
  153    HG   LEU  49           HG       LEU  49   3.084  -7.271  -2.531
  154   HD11  LEU  49          HD11      LEU  49   1.126  -8.326  -1.381
  155   HD12  LEU  49          HD12      LEU  49   1.833  -9.921  -1.664
  156   HD13  LEU  49          HD13      LEU  49   1.313  -8.915  -3.039
  157   HD21  LEU  49          HD21      LEU  49   4.676  -7.706  -0.676
  158   HD22  LEU  49          HD22      LEU  49   3.717  -9.136  -0.213
  159   HD23  LEU  49          HD23      LEU  49   3.027  -7.512  -0.098
  160    H    LYS  50           H        LYS  50   5.696  -9.179  -5.810
  161    HA   LYS  50           HA       LYS  50   6.859 -11.826  -5.453
  162    HB2  LYS  50           HB2      LYS  50   6.809 -10.073  -7.936
  163    HB3  LYS  50           HB3      LYS  50   7.244 -11.793  -7.823
  164    HG2  LYS  50           HG2      LYS  50   4.998 -12.396  -7.121
  165    HG3  LYS  50           HG3      LYS  50   4.492 -10.704  -7.126
  166    HD2  LYS  50           HD2      LYS  50   5.477 -12.233  -9.575
  167    HD3  LYS  50           HD3      LYS  50   3.781 -11.999  -9.154
  168    HE2  LYS  50           HE2      LYS  50   4.098  -9.518  -9.284
  169    HE3  LYS  50           HE3      LYS  50   5.773  -9.786  -9.780
  170    HZ1  LYS  50           HZ1      LYS  50   3.332 -10.559 -11.264
  171    HZ2  LYS  50           HZ2      LYS  50   4.837 -11.091 -11.684
  172    HZ3  LYS  50           HZ3      LYS  50   4.478  -9.485 -11.747
  173    H    LYS  51           H        LYS  51   8.247  -8.689  -6.390
  174    HA   LYS  51           HA       LYS  51  11.027  -9.483  -6.503
  175    HB2  LYS  51           HB2      LYS  51   9.544  -6.898  -6.202
  176    HB3  LYS  51           HB3      LYS  51  11.323  -6.958  -6.179
  177    HG2  LYS  51           HG2      LYS  51  11.358  -7.906  -8.413
  178    HG3  LYS  51           HG3      LYS  51   9.581  -8.020  -8.441
  179    HD2  LYS  51           HD2      LYS  51   9.397  -5.607  -8.252
  180    HD3  LYS  51           HD3      LYS  51  11.154  -5.417  -8.200
  181    HE2  LYS  51           HE2      LYS  51   9.592  -6.652 -10.506
  182    HE3  LYS  51           HE3      LYS  51  10.019  -4.935 -10.399
  183    HZ1  LYS  51           HZ1      LYS  51  11.645  -6.126 -11.731
  184    HZ2  LYS  51           HZ2      LYS  51  12.347  -5.536 -10.385
  185    HZ3  LYS  51           HZ3      LYS  51  12.005  -7.150 -10.506
  186    H    GLY  52           H        GLY  52   8.950  -8.827  -3.766
  187    HA2  GLY  52           HA2      GLY  52  11.278  -8.190  -2.046
  188    HA3  GLY  52           HA3      GLY  52   9.607  -7.710  -1.874
  189    H    THR  53           H        THR  53   8.280 -10.250  -1.937
  190    HA   THR  53           HA       THR  53   8.949 -11.238   0.763
  191    HB   THR  53           HB       THR  53   6.871 -12.401   0.703
  192    HG1  THR  53           HG1      THR  53   6.577 -11.419  -1.989
  193   HG21  THR  53          HG21      THR  53   6.487  -9.548  -0.187
  194   HG22  THR  53          HG22      THR  53   6.610 -10.236   1.455
  195   HG23  THR  53          HG23      THR  53   5.218 -10.625   0.460
  196    H    LYS  54           H        LYS  54   9.067 -13.592   1.201
  197    HA   LYS  54           HA       LYS  54  10.436 -15.058  -0.905
  198    HB2  LYS  54           HB2      LYS  54   9.342 -16.236   1.659
  199    HB3  LYS  54           HB3      LYS  54  10.599 -16.880   0.613
  200    HG2  LYS  54           HG2      LYS  54  10.796 -14.409   2.380
  201    HG3  LYS  54           HG3      LYS  54  11.559 -15.976   2.643
  202    HD2  LYS  54           HD2      LYS  54  12.973 -15.657   0.631
  203    HD3  LYS  54           HD3      LYS  54  12.160 -14.116   0.308
  204    HE2  LYS  54           HE2      LYS  54  14.232 -13.585   1.307
  205    HE3  LYS  54           HE3      LYS  54  12.956 -13.224   2.477
  206    HZ1  LYS  54           HZ1      LYS  54  13.520 -15.215   3.678
  207    HZ2  LYS  54           HZ2      LYS  54  14.661 -15.657   2.532
  208    HZ3  LYS  54           HZ3      LYS  54  14.890 -14.349   3.461
  209    H    ASN  55           H        ASN  55   7.050 -15.154   0.292
  210    HA   ASN  55           HA       ASN  55   6.317 -16.077  -2.407
  211    HB2  ASN  55           HB2      ASN  55   6.389 -18.167  -1.091
  212    HB3  ASN  55           HB3      ASN  55   5.411 -17.421   0.182
  213   HD21  ASN  55          HD21      ASN  55   3.797 -19.108  -0.021
  214   HD22  ASN  55          HD22      ASN  55   2.747 -19.138  -1.428
  215    H    SER  56           H        SER  56   5.034 -14.635  -3.167
  216    HA   SER  56           HA       SER  56   3.410 -12.800  -1.665
  217    HB2  SER  56           HB2      SER  56   2.598 -12.130  -3.930
  218    HB3  SER  56           HB3      SER  56   4.364 -12.166  -3.792
  219    HG   SER  56           HG       SER  56   4.459 -14.028  -4.942
  220    H    ALA  57           H        ALA  57   2.685 -16.000  -3.007
  221    HA   ALA  57           HA       ALA  57  -0.079 -15.535  -3.536
  222    HB1  ALA  57           HB1      ALA  57  -0.104 -17.949  -4.002
  223    HB2  ALA  57           HB2      ALA  57   1.485 -18.123  -3.231
  224    HB3  ALA  57           HB3      ALA  57   1.315 -17.167  -4.717
  225    H    GLN  58           H        GLN  58   1.087 -15.529  -0.475
  226    HA   GLN  58           HA       GLN  58  -1.268 -16.878   0.746
  227    HB2  GLN  58           HB2      GLN  58  -0.074 -16.564   2.845
  228    HB3  GLN  58           HB3      GLN  58   0.926 -17.432   1.676
  229    HG2  GLN  58           HG2      GLN  58   2.110 -15.252   1.147
  230    HG3  GLN  58           HG3      GLN  58   1.181 -14.469   2.411
  231   HE21  GLN  58          HE21      GLN  58   4.125 -15.396   1.763
  232   HE22  GLN  58          HE22      GLN  58   4.608 -15.933   3.367
  233    H    PHE  59           H        PHE  59  -0.118 -13.742  -0.256
  234    HA   PHE  59           HA       PHE  59  -1.645 -12.210   1.708
  235    HB2  PHE  59           HB2      PHE  59  -0.066 -11.420  -0.742
  236    HB3  PHE  59           HB3      PHE  59  -0.925 -10.287   0.291
  237    HD1  PHE  59           HD1      PHE  59  -0.217  -9.851   2.604
  238    HD2  PHE  59           HD2      PHE  59   2.017 -12.544   0.106
  239    HE1  PHE  59           HE1      PHE  59   1.653  -9.802   4.228
  240    HE2  PHE  59           HE2      PHE  59   3.884 -12.513   1.731
  241    HZ   PHE  59           HZ       PHE  59   3.703 -11.143   3.798
  242    H    GLU  60           H        GLU  60  -3.496 -10.930   1.276
  243    HA   GLU  60           HA       GLU  60  -5.168 -11.955  -1.013
  244    HB2  GLU  60           HB2      GLU  60  -7.111 -11.682   0.378
  245    HB3  GLU  60           HB3      GLU  60  -5.987 -12.876   1.039
  246    HG2  GLU  60           HG2      GLU  60  -5.297 -11.437   2.756
  247    HG3  GLU  60           HG3      GLU  60  -5.966 -10.004   2.038
  248    H    LYS  61           H        LYS  61  -4.254  -9.136   0.858
  249    HA   LYS  61           HA       LYS  61  -5.304  -7.337  -1.169
  250    HB2  LYS  61           HB2      LYS  61  -6.841  -6.139   0.134
  251    HB3  LYS  61           HB3      LYS  61  -7.295  -7.818   0.315
  252    HG2  LYS  61           HG2      LYS  61  -6.488  -7.846   2.622
  253    HG3  LYS  61           HG3      LYS  61  -5.713  -6.276   2.416
  254    HD2  LYS  61           HD2      LYS  61  -7.671  -5.096   2.423
  255    HD3  LYS  61           HD3      LYS  61  -8.655  -6.429   1.846
  256    HE2  LYS  61           HE2      LYS  61  -7.380  -6.462   4.610
  257    HE3  LYS  61           HE3      LYS  61  -8.915  -5.651   4.297
  258    HZ1  LYS  61           HZ1      LYS  61  -8.418  -8.556   3.888
  259    HZ2  LYS  61           HZ2      LYS  61  -9.789  -7.775   3.456
  260    HZ3  LYS  61           HZ3      LYS  61  -9.398  -7.864   5.021
  261    H    MET  62           H        MET  62  -4.954  -5.127  -0.573
  262    HA   MET  62           HA       MET  62  -2.613  -4.556   1.164
  263    HB2  MET  62           HB2      MET  62  -1.521  -3.269  -0.571
  264    HB3  MET  62           HB3      MET  62  -1.780  -4.918  -1.145
  265    HG2  MET  62           HG2      MET  62  -3.719  -4.195  -2.466
  266    HG3  MET  62           HG3      MET  62  -3.525  -2.540  -1.876
  267    HE1  MET  62           HE1      MET  62  -3.759  -3.301  -4.987
  268    HE2  MET  62           HE2      MET  62  -2.565  -2.142  -5.599
  269    HE3  MET  62           HE3      MET  62  -3.653  -1.665  -4.284
  270    H    VAL  63           H        VAL  63  -2.468  -2.369   1.844
  271    HA   VAL  63           HA       VAL  63  -4.606  -0.541   1.010
  272    HB   VAL  63           HB       VAL  63  -5.418  -1.576   3.088
  273   HG11  VAL  63          HG11      VAL  63  -4.382  -1.573   5.069
  274   HG12  VAL  63          HG12      VAL  63  -3.254  -0.232   4.658
  275   HG13  VAL  63          HG13      VAL  63  -3.008  -1.846   4.000
  276   HG21  VAL  63          HG21      VAL  63  -4.662   1.346   3.483
  277   HG22  VAL  63          HG22      VAL  63  -5.920   0.442   4.352
  278   HG23  VAL  63          HG23      VAL  63  -6.093   0.742   2.618
  279    H    ILE  64           H        ILE  64  -3.857   1.390   0.497
  280    HA   ILE  64           HA       ILE  64  -0.985   2.035   1.027
  281    HB   ILE  64           HB       ILE  64  -2.781   3.189  -1.149
  282   HG12  ILE  64          HG12      ILE  64  -1.132   1.738  -2.630
  283   HG13  ILE  64          HG13      ILE  64  -1.055   0.703  -1.225
  284   HG21  ILE  64          HG21      ILE  64  -0.799   4.558  -0.513
  285   HG22  ILE  64          HG22      ILE  64  -0.646   3.915  -2.135
  286   HG23  ILE  64          HG23      ILE  64   0.252   3.155  -0.804
  287   HD11  ILE  64          HD11      ILE  64  -3.480   0.283  -1.398
  288   HD12  ILE  64          HD12      ILE  64  -2.683  -0.007  -2.949
  289   HD13  ILE  64          HD13      ILE  64  -3.600   1.489  -2.707
  290    H    LEU  65           H        LEU  65  -0.450   3.890   2.041
  291    HA   LEU  65           HA       LEU  65  -2.572   5.898   2.692
  292    HB2  LEU  65           HB2      LEU  65  -0.103   5.321   4.364
  293    HB3  LEU  65           HB3      LEU  65  -1.452   6.380   4.753
  294    HG   LEU  65           HG       LEU  65  -1.505   3.337   4.646
  295   HD11  LEU  65          HD11      LEU  65  -0.401   4.381   6.623
  296   HD12  LEU  65          HD12      LEU  65  -1.894   3.511   7.053
  297   HD13  LEU  65          HD13      LEU  65  -1.887   5.283   6.951
  298   HD21  LEU  65          HD21      LEU  65  -3.721   4.193   3.945
  299   HD22  LEU  65          HD22      LEU  65  -3.741   5.294   5.336
  300   HD23  LEU  65          HD23      LEU  65  -3.796   3.529   5.576
  301    H    THR  66           H        THR  66  -2.196   7.866   1.847
  302    HA   THR  66           HA       THR  66   0.485   8.352   0.570
  303    HB   THR  66           HB       THR  66  -0.681   9.532  -1.188
  304    HG1  THR  66           HG1      THR  66  -2.401  10.391  -0.080
  305   HG21  THR  66          HG21      THR  66  -0.505   7.074  -1.441
  306   HG22  THR  66          HG22      THR  66  -1.920   7.762  -2.275
  307   HG23  THR  66          HG23      THR  66  -2.133   6.898  -0.743
  308    H    GLU  67           H        GLU  67   0.914  10.721   0.056
  309    HA   GLU  67           HA       GLU  67   0.522  12.556   2.208
  310    HB2  GLU  67           HB2      GLU  67   0.494  13.409  -0.686
  311    HB3  GLU  67           HB3      GLU  67   1.066  14.294   0.709
  312    HG2  GLU  67           HG2      GLU  67   3.069  12.926   0.858
  313    HG3  GLU  67           HG3      GLU  67   2.491  11.853  -0.427
  314    H    ASN  68           H        ASN  68  -0.869  14.576   2.011
  315    HA   ASN  68           HA       ASN  68  -2.904  15.541   2.133
  316    HB2  ASN  68           HB2      ASN  68  -3.310  14.237  -0.582
  317    HB3  ASN  68           HB3      ASN  68  -4.256  15.568   0.039
  318   HD21  ASN  68          HD21      ASN  68  -1.464  14.765  -1.738
  319   HD22  ASN  68          HD22      ASN  68  -0.598  16.291  -1.568
  320    H    LYS  69           H        LYS  69  -2.606  12.958   3.377
  321    HA   LYS  69           HA       LYS  69  -3.768  11.646   4.761
  322    HB2  LYS  69           HB2      LYS  69  -6.077  13.535   4.186
  323    HB3  LYS  69           HB3      LYS  69  -5.940  12.456   5.571
  324    HG2  LYS  69           HG2      LYS  69  -4.107  13.653   6.500
  325    HG3  LYS  69           HG3      LYS  69  -3.841  14.596   5.027
  326    HD2  LYS  69           HD2      LYS  69  -6.009  15.694   5.278
  327    HD3  LYS  69           HD3      LYS  69  -6.290  14.808   6.810
  328    HE2  LYS  69           HE2      LYS  69  -4.177  15.795   7.699
  329    HE3  LYS  69           HE3      LYS  69  -3.964  16.656   6.166
  330    HZ1  LYS  69           HZ1      LYS  69  -4.983  18.134   7.772
  331    HZ2  LYS  69           HZ2      LYS  69  -6.211  17.076   8.078
  332    HZ3  LYS  69           HZ3      LYS  69  -6.088  17.797   6.613
  333    H    GLY  70           H        GLY  70  -3.955  11.075   1.797
  334    HA2  GLY  70           HA2      GLY  70  -6.447   9.705   1.336
  335    HA3  GLY  70           HA3      GLY  70  -4.980   9.501   0.388
  336    H    TYR  71           H        TYR  71  -6.935   7.574   1.176
  337    HA   TYR  71           HA       TYR  71  -5.276   5.425   2.358
  338    HB2  TYR  71           HB2      TYR  71  -6.425   6.372   4.279
  339    HB3  TYR  71           HB3      TYR  71  -7.955   6.391   3.425
  340    HD1  TYR  71           HD1      TYR  71  -9.013   4.120   2.735
  341    HD2  TYR  71           HD2      TYR  71  -5.941   4.528   5.762
  342    HE1  TYR  71           HE1      TYR  71  -9.715   1.971   3.757
  343    HE2  TYR  71           HE2      TYR  71  -6.721   2.452   6.815
  344    HH   TYR  71           HH       TYR  71  -8.341   0.899   6.867
  345    H    TYR  72           H        TYR  72  -5.585   3.596   1.119
  346    HA   TYR  72           HA       TYR  72  -8.093   3.255  -0.506
  347    HB2  TYR  72           HB2      TYR  72  -5.231   3.163  -1.570
  348    HB3  TYR  72           HB3      TYR  72  -6.680   2.789  -2.475
  349    HD1  TYR  72           HD1      TYR  72  -4.718   5.528  -0.883
  350    HD2  TYR  72           HD2      TYR  72  -7.976   4.512  -3.526
  351    HE1  TYR  72           HE1      TYR  72  -4.806   7.890  -1.692
  352    HE2  TYR  72           HE2      TYR  72  -8.020   6.847  -4.369
  353    HH   TYR  72           HH       TYR  72  -7.055   8.861  -4.304
  354    H    THR  73           H        THR  73  -8.816   1.156  -0.117
  355    HA   THR  73           HA       THR  73  -6.743  -0.972   0.310
  356    HB   THR  73           HB       THR  73  -8.191  -0.542   2.255
  357    HG1  THR  73           HG1      THR  73  -8.705  -2.791   2.487
  358   HG21  THR  73          HG21      THR  73 -10.458  -1.299   2.353
  359   HG22  THR  73          HG22      THR  73 -10.411  -1.921   0.690
  360   HG23  THR  73          HG23      THR  73 -10.368  -0.175   1.001
  361    H    VAL  74           H        VAL  74  -6.669  -2.776  -0.892
  362    HA   VAL  74           HA       VAL  74  -8.678  -3.252  -3.059
  363    HB   VAL  74           HB       VAL  74  -5.704  -2.816  -3.559
  364   HG11  VAL  74          HG11      VAL  74  -6.331  -2.965  -5.963
  365   HG12  VAL  74          HG12      VAL  74  -7.992  -3.402  -5.491
  366   HG13  VAL  74          HG13      VAL  74  -6.621  -4.472  -5.110
  367   HG21  VAL  74          HG21      VAL  74  -6.725  -0.633  -3.239
  368   HG22  VAL  74          HG22      VAL  74  -8.066  -1.057  -4.330
  369   HG23  VAL  74          HG23      VAL  74  -6.409  -0.875  -4.952
  370    H    TYR  75           H        TYR  75  -9.086  -5.420  -3.216
  371    HA   TYR  75           HA       TYR  75  -7.331  -7.407  -1.998
  372    HB2  TYR  75           HB2      TYR  75  -9.947  -7.490  -3.462
  373    HB3  TYR  75           HB3      TYR  75  -8.966  -8.939  -3.406
  374    HD1  TYR  75           HD1      TYR  75 -10.535  -6.354  -1.175
  375    HD2  TYR  75           HD2      TYR  75  -8.896 -10.336  -1.499
  376    HE1  TYR  75           HE1      TYR  75 -11.312  -6.872   1.126
  377    HE2  TYR  75           HE2      TYR  75  -9.655 -10.841   0.806
  378    HH   TYR  75           HH       TYR  75 -10.696 -10.053   2.681
  379    H    LEU  76           H        LEU  76  -5.973  -8.762  -2.872
  380    HA   LEU  76           HA       LEU  76  -4.981  -8.263  -5.638
  381    HB2  LEU  76           HB2      LEU  76  -3.672  -9.589  -3.228
  382    HB3  LEU  76           HB3      LEU  76  -2.906  -9.316  -4.790
  383    HG   LEU  76           HG       LEU  76  -3.825  -7.144  -2.854
  384   HD11  LEU  76          HD11      LEU  76  -1.059  -8.052  -3.733
  385   HD12  LEU  76          HD12      LEU  76  -1.804  -8.355  -2.146
  386   HD13  LEU  76          HD13      LEU  76  -1.427  -6.696  -2.647
  387   HD21  LEU  76          HD21      LEU  76  -4.083  -6.251  -5.077
  388   HD22  LEU  76          HD22      LEU  76  -2.534  -6.959  -5.600
  389   HD23  LEU  76          HD23      LEU  76  -2.568  -5.628  -4.435
  390    H    ASN  77           H        ASN  77  -6.646 -10.740  -3.828
  391    HA   ASN  77           HA       ASN  77  -5.866 -12.925  -5.574
  392    HB2  ASN  77           HB2      ASN  77  -6.935 -13.009  -3.173
  393    HB3  ASN  77           HB3      ASN  77  -8.467 -12.825  -4.027
  394   HD21  ASN  77          HD21      ASN  77  -8.993 -15.012  -3.148
  395   HD22  ASN  77          HD22      ASN  77  -8.231 -16.424  -3.896
  396    H    THR  78           H        THR  78  -7.529 -10.183  -6.316
  397    HA   THR  78           HA       THR  78  -8.502 -11.296  -8.843
  398    HB   THR  78           HB       THR  78 -10.398  -9.602  -8.783
  399    HG1  THR  78           HG1      THR  78 -10.974  -9.583  -6.283
  400   HG21  THR  78          HG21      THR  78 -10.636 -11.795  -6.695
  401   HG22  THR  78          HG22      THR  78 -10.718 -12.058  -8.453
  402   HG23  THR  78          HG23      THR  78 -11.935 -11.050  -7.664
  403    HA   PRO  79           HA       PRO  79  -6.449  -7.452 -10.282
  404    HB2  PRO  79           HB2      PRO  79  -8.608  -7.482 -12.372
  405    HB3  PRO  79           HB3      PRO  79  -6.838  -7.295 -12.580
  406    HG2  PRO  79           HG2      PRO  79  -8.042  -9.649 -13.202
  407    HG3  PRO  79           HG3      PRO  79  -6.486  -9.646 -12.299
  408    HD2  PRO  79           HD2      PRO  79  -9.284  -9.916 -11.161
  409    HD3  PRO  79           HD3      PRO  79  -7.832 -10.927 -10.864
  410    H    LEU  80           H        LEU  80  -6.997  -5.176 -10.148
  411    HA   LEU  80           HA       LEU  80  -9.476  -4.621  -8.716
  412    HB2  LEU  80           HB2      LEU  80  -8.793  -2.492  -8.337
  413    HB3  LEU  80           HB3      LEU  80  -7.313  -3.427  -8.267
  414    HG   LEU  80           HG       LEU  80  -8.210  -1.609 -10.549
  415   HD11  LEU  80          HD11      LEU  80  -5.946  -1.349  -8.526
  416   HD12  LEU  80          HD12      LEU  80  -7.481  -0.465  -8.455
  417   HD13  LEU  80          HD13      LEU  80  -6.370  -0.179  -9.795
  418   HD21  LEU  80          HD21      LEU  80  -5.670  -3.240 -10.186
  419   HD22  LEU  80          HD22      LEU  80  -5.837  -1.935 -11.371
  420   HD23  LEU  80          HD23      LEU  80  -6.840  -3.382 -11.515
  421    H    ALA  81           H        ALA  81 -11.291  -3.537  -9.407
  422    HA   ALA  81           HA       ALA  81 -12.205  -4.137 -12.004
  423    HB1  ALA  81           HB1      ALA  81 -13.245  -2.136  -9.955
  424    HB2  ALA  81           HB2      ALA  81 -13.653  -3.867 -10.045
  425    HB3  ALA  81           HB3      ALA  81 -14.168  -2.765 -11.336
  426    H    GLU  82           H        GLU  82 -12.794  -2.823 -13.815
  427    HA   GLU  82           HA       GLU  82 -11.042  -0.945 -14.802
  428    HB2  GLU  82           HB2      GLU  82 -12.773  -0.342 -16.424
  429    HB3  GLU  82           HB3      GLU  82 -12.596  -2.082 -16.207
  430    HG2  GLU  82           HG2      GLU  82 -14.643  -2.169 -14.853
  431    HG3  GLU  82           HG3      GLU  82 -14.797  -0.408 -14.917
  432    H    ASP  83           H        ASP  83 -13.765  -0.086 -12.681
  433    HA   ASP  83           HA       ASP  83 -13.454   2.787 -13.046
  434    HB2  ASP  83           HB2      ASP  83 -14.711   1.096 -10.850
  435    HB3  ASP  83           HB3      ASP  83 -14.798   2.859 -10.916
  436    H    ARG  84           H        ARG  84 -12.054   0.387 -10.848
  437    HA   ARG  84           HA       ARG  84 -10.666   2.348  -9.143
  438    HB2  ARG  84           HB2      ARG  84 -10.691  -0.699  -9.270
  439    HB3  ARG  84           HB3      ARG  84  -9.717   0.238  -8.131
  440    HG2  ARG  84           HG2      ARG  84 -11.719   1.294  -7.190
  441    HG3  ARG  84           HG3      ARG  84 -12.755   0.413  -8.332
  442    HD2  ARG  84           HD2      ARG  84 -12.056  -1.720  -7.412
  443    HD3  ARG  84           HD3      ARG  84 -10.902  -0.928  -6.316
  444    HE   ARG  84           HE       ARG  84 -13.189   0.298  -5.573
  445   HH11  ARG  84          HH11      ARG  84 -12.620  -3.185  -6.004
  446   HH12  ARG  84          HH12      ARG  84 -13.881  -3.544  -4.837
  447   HH21  ARG  84          HH21      ARG  84 -14.659  -0.288  -4.144
  448   HH22  ARG  84          HH22      ARG  84 -14.959  -1.992  -3.806
  449    H    LYS  85           H        LYS  85  -9.853   0.396 -11.968
  450    HA   LYS  85           HA       LYS  85  -7.009   0.801 -11.996
  451    HB2  LYS  85           HB2      LYS  85  -9.089   0.601 -14.209
  452    HB3  LYS  85           HB3      LYS  85  -7.362   0.806 -14.530
  453    HG2  LYS  85           HG2      LYS  85  -6.833  -1.260 -13.368
  454    HG3  LYS  85           HG3      LYS  85  -8.537  -1.517 -12.958
  455    HD2  LYS  85           HD2      LYS  85  -9.116  -1.787 -15.318
  456    HD3  LYS  85           HD3      LYS  85  -7.471  -1.350 -15.811
  457    HE2  LYS  85           HE2      LYS  85  -6.564  -3.310 -14.660
  458    HE3  LYS  85           HE3      LYS  85  -8.157  -3.733 -14.037
  459    HZ1  LYS  85           HZ1      LYS  85  -7.546  -5.057 -15.947
  460    HZ2  LYS  85           HZ2      LYS  85  -7.425  -3.755 -16.938
  461    HZ3  LYS  85           HZ3      LYS  85  -8.875  -4.195 -16.315
  462    H    ASN  86           H        ASN  86  -9.594   3.049 -12.309
  463    HA   ASN  86           HA       ASN  86  -7.817   5.231 -13.290
  464    HB2  ASN  86           HB2      ASN  86 -10.708   4.508 -13.943
  465    HB3  ASN  86           HB3      ASN  86  -9.884   5.956 -14.513
  466   HD21  ASN  86          HD21      ASN  86 -10.362   2.543 -15.142
  467   HD22  ASN  86          HD22      ASN  86  -9.104   2.429 -16.365
  468    H    VAL  87           H        VAL  87  -8.900   4.452 -10.381
  469    HA   VAL  87           HA       VAL  87 -10.438   6.858  -9.688
  470    HB   VAL  87           HB       VAL  87 -10.729   4.595  -8.637
  471   HG11  VAL  87          HG11      VAL  87  -9.359   3.949  -6.762
  472   HG12  VAL  87          HG12      VAL  87  -8.267   5.331  -7.020
  473   HG13  VAL  87          HG13      VAL  87  -8.379   4.035  -8.233
  474   HG21  VAL  87          HG21      VAL  87 -10.202   6.890  -6.715
  475   HG22  VAL  87          HG22      VAL  87 -11.257   5.490  -6.438
  476   HG23  VAL  87          HG23      VAL  87 -11.676   6.673  -7.686
  477    H    GLU  88           H        GLU  88  -9.670   8.681  -8.568
  478    HA   GLU  88           HA       GLU  88  -7.027   9.436  -9.432
  479    HB2  GLU  88           HB2      GLU  88  -9.001  10.910  -7.666
  480    HB3  GLU  88           HB3      GLU  88  -7.575  11.621  -8.381
  481    HG2  GLU  88           HG2      GLU  88  -9.812  10.412 -10.070
  482    HG3  GLU  88           HG3      GLU  88  -9.827  12.072  -9.514
  483    H    LEU  89           H        LEU  89  -5.240  10.077  -8.253
  484    HA   LEU  89           HA       LEU  89  -4.988   8.977  -5.503
  485    HB2  LEU  89           HB2      LEU  89  -3.000   9.539  -7.704
  486    HB3  LEU  89           HB3      LEU  89  -2.497   9.172  -6.073
  487    HG   LEU  89           HG       LEU  89  -4.192   7.356  -7.847
  488   HD11  LEU  89          HD11      LEU  89  -2.219   5.910  -7.913
  489   HD12  LEU  89          HD12      LEU  89  -1.314   7.057  -6.908
  490   HD13  LEU  89          HD13      LEU  89  -1.853   7.516  -8.541
  491   HD21  LEU  89          HD21      LEU  89  -3.007   6.891  -5.058
  492   HD22  LEU  89          HD22      LEU  89  -3.670   5.606  -6.086
  493   HD23  LEU  89          HD23      LEU  89  -4.738   6.867  -5.490
  494    H    LEU  90           H        LEU  90  -5.134  10.246  -3.879
  495    HA   LEU  90           HA       LEU  90  -5.041  13.087  -3.886
  496    HB2  LEU  90           HB2      LEU  90  -4.931  10.954  -1.732
  497    HB3  LEU  90           HB3      LEU  90  -4.925  12.662  -1.324
  498    HG   LEU  90           HG       LEU  90  -7.124  11.471  -3.059
  499   HD11  LEU  90          HD11      LEU  90  -8.480  11.326  -1.008
  500   HD12  LEU  90          HD12      LEU  90  -7.063  11.775  -0.028
  501   HD13  LEU  90          HD13      LEU  90  -7.090  10.244  -0.943
  502   HD21  LEU  90          HD21      LEU  90  -6.925  13.949  -3.062
  503   HD22  LEU  90          HD22      LEU  90  -6.999  13.956  -1.288
  504   HD23  LEU  90          HD23      LEU  90  -8.396  13.417  -2.245
  505    H    GLY  91           H        GLY  91  -2.436  10.775  -3.303
  506    HA2  GLY  91           HA2      GLY  91  -0.437  12.955  -3.076
  507    HA3  GLY  91           HA3      GLY  91  -0.686  11.915  -1.691
  508    H    LYS  92           H        LYS  92   1.765  12.158  -2.823
  509    HA   LYS  92           HA       LYS  92   2.630   9.895  -4.356
  510    HB2  LYS  92           HB2      LYS  92   3.805  12.119  -3.533
  511    HB3  LYS  92           HB3      LYS  92   4.170  11.183  -2.094
  512    HG2  LYS  92           HG2      LYS  92   6.048  10.953  -3.330
  513    HG3  LYS  92           HG3      LYS  92   5.179   9.506  -3.871
  514    HD2  LYS  92           HD2      LYS  92   4.511  10.697  -5.939
  515    HD3  LYS  92           HD3      LYS  92   5.268  12.175  -5.332
  516    HE2  LYS  92           HE2      LYS  92   7.393  10.588  -5.078
  517    HE3  LYS  92           HE3      LYS  92   6.553   9.607  -6.284
  518    HZ1  LYS  92           HZ1      LYS  92   8.064  11.161  -7.300
  519    HZ2  LYS  92           HZ2      LYS  92   7.378  12.457  -6.577
  520    HZ3  LYS  92           HZ3      LYS  92   6.553  11.636  -7.733
  521    H    MET  93           H        MET  93   3.721   7.985  -3.589
  522    HA   MET  93           HA       MET  93   2.014   6.505  -1.763
  523    HB2  MET  93           HB2      MET  93   2.862   5.609  -3.939
  524    HB3  MET  93           HB3      MET  93   4.494   5.587  -3.270
  525    HG2  MET  93           HG2      MET  93   3.413   4.051  -1.399
  526    HG3  MET  93           HG3      MET  93   2.075   3.926  -2.522
  527    HE1  MET  93           HE1      MET  93   6.252   1.962  -2.894
  528    HE2  MET  93           HE2      MET  93   5.537   2.679  -1.435
  529    HE3  MET  93           HE3      MET  93   6.132   3.727  -2.745
  530    H    TYR  94           H        TYR  94   2.764   7.973   0.160
  531    HA   TYR  94           HA       TYR  94   5.311   7.677   1.273
  532    HB2  TYR  94           HB2      TYR  94   3.753   9.348   2.104
  533    HB3  TYR  94           HB3      TYR  94   2.663   8.105   2.683
  534    HD1  TYR  94           HD1      TYR  94   6.374   8.723   2.975
  535    HD2  TYR  94           HD2      TYR  94   2.684   7.870   5.041
  536    HE1  TYR  94           HE1      TYR  94   7.614   8.491   5.098
  537    HE2  TYR  94           HE2      TYR  94   3.929   7.659   7.174
  538    HH   TYR  94           HH       TYR  94   7.512   7.953   7.280
  539    H    LYS  95           H        LYS  95   2.514   5.442   1.868
  540    HA   LYS  95           HA       LYS  95   4.455   3.345   2.559
  541    HB2  LYS  95           HB2      LYS  95   3.921   4.923   4.622
  542    HB3  LYS  95           HB3      LYS  95   2.412   4.028   4.701
  543    HG2  LYS  95           HG2      LYS  95   3.600   1.954   5.097
  544    HG3  LYS  95           HG3      LYS  95   5.163   2.680   4.694
  545    HD2  LYS  95           HD2      LYS  95   3.446   3.699   6.964
  546    HD3  LYS  95           HD3      LYS  95   4.598   2.370   7.190
  547    HE2  LYS  95           HE2      LYS  95   6.447   3.868   6.504
  548    HE3  LYS  95           HE3      LYS  95   5.303   5.196   6.257
  549    HZ1  LYS  95           HZ1      LYS  95   6.378   5.283   8.483
  550    HZ2  LYS  95           HZ2      LYS  95   5.729   3.822   8.861
  551    HZ3  LYS  95           HZ3      LYS  95   4.758   5.112   8.617
  552    H    THR  96           H        THR  96   3.594   1.235   2.655
  553    HA   THR  96           HA       THR  96   0.662   0.873   2.168
  554    HB   THR  96           HB       THR  96   2.771  -0.768   0.712
  555    HG1  THR  96           HG1      THR  96   2.613   1.413   0.195
  556   HG21  THR  96          HG21      THR  96   0.813  -1.336  -0.781
  557   HG22  THR  96          HG22      THR  96  -0.253  -0.556   0.391
  558   HG23  THR  96          HG23      THR  96   0.663  -2.001   0.842
  559    H    TYR  97           H        TYR  97  -0.191  -0.958   2.922
  560    HA   TYR  97           HA       TYR  97   1.472  -2.856   4.546
  561    HB2  TYR  97           HB2      TYR  97  -1.254  -1.717   5.253
  562    HB3  TYR  97           HB3      TYR  97  -0.410  -2.944   6.137
  563    HD1  TYR  97           HD1      TYR  97   1.850  -2.383   7.212
  564    HD2  TYR  97           HD2      TYR  97  -0.903   0.581   5.714
  565    HE1  TYR  97           HE1      TYR  97   2.920  -0.660   8.658
  566    HE2  TYR  97           HE2      TYR  97   0.141   2.281   7.208
  567    HH   TYR  97           HH       TYR  97   1.599   2.672   8.878
  568    H    PHE  98           H        PHE  98   0.857  -5.013   4.436
  569    HA   PHE  98           HA       PHE  98  -1.328  -5.823   2.539
  570    HB2  PHE  98           HB2      PHE  98   1.528  -6.803   2.713
  571    HB3  PHE  98           HB3      PHE  98   0.297  -7.526   1.713
  572    HD1  PHE  98           HD1      PHE  98   2.405  -4.458   2.132
  573    HD2  PHE  98           HD2      PHE  98  -0.209  -6.717  -0.442
  574    HE1  PHE  98           HE1      PHE  98   3.178  -3.138   0.163
  575    HE2  PHE  98           HE2      PHE  98   0.652  -5.465  -2.413
  576    HZ   PHE  98           HZ       PHE  98   2.379  -3.722  -2.108
  577    H    PHE  99           H        PHE  99  -2.274  -7.826   2.896
  578    HA   PHE  99           HA       PHE  99  -1.887  -8.946   5.654
  579    HB2  PHE  99           HB2      PHE  99  -4.480  -8.539   4.114
  580    HB3  PHE  99           HB3      PHE  99  -4.312  -9.046   5.786
  581    HD1  PHE  99           HD1      PHE  99  -3.718  -6.177   3.443
  582    HD2  PHE  99           HD2      PHE  99  -4.298  -7.386   7.530
  583    HE1  PHE  99           HE1      PHE  99  -3.690  -3.836   4.124
  584    HE2  PHE  99           HE2      PHE  99  -4.291  -4.994   8.219
  585    HZ   PHE  99           HZ       PHE  99  -3.889  -3.221   6.542
  586    H    LYS 100           H        LYS 100  -1.898 -11.187   5.893
  587    HA   LYS 100           HA       LYS 100  -2.041 -12.889   3.495
  588    HB2  LYS 100           HB2      LYS 100  -1.811 -13.629   6.406
  589    HB3  LYS 100           HB3      LYS 100  -1.741 -14.756   5.033
  590    HG2  LYS 100           HG2      LYS 100   0.335 -14.261   4.446
  591    HG3  LYS 100           HG3      LYS 100   0.222 -12.543   4.807
  592    HD2  LYS 100           HD2      LYS 100   0.453 -12.992   7.203
  593    HD3  LYS 100           HD3      LYS 100   0.417 -14.746   6.908
  594    HE2  LYS 100           HE2      LYS 100   2.478 -14.498   5.479
  595    HE3  LYS 100           HE3      LYS 100   2.578 -12.805   5.983
  596    HZ1  LYS 100           HZ1      LYS 100   3.944 -14.373   7.338
  597    HZ2  LYS 100           HZ2      LYS 100   2.586 -15.104   7.872
  598    HZ3  LYS 100           HZ3      LYS 100   2.865 -13.528   8.242
  599    H    LYS 101           H        LYS 101  -3.517 -14.604   3.161
  600    HA   LYS 101           HA       LYS 101  -6.155 -13.721   3.095
  601    HB2  LYS 101           HB2      LYS 101  -6.783 -15.961   2.309
  602    HB3  LYS 101           HB3      LYS 101  -5.447 -15.176   1.477
  603    HG2  LYS 101           HG2      LYS 101  -3.824 -16.637   2.682
  604    HG3  LYS 101           HG3      LYS 101  -5.177 -17.438   3.486
  605    HD2  LYS 101           HD2      LYS 101  -4.312 -18.750   1.598
  606    HD3  LYS 101           HD3      LYS 101  -6.002 -18.306   1.381
  607    HE2  LYS 101           HE2      LYS 101  -5.284 -16.430  -0.127
  608    HE3  LYS 101           HE3      LYS 101  -3.603 -16.962   0.036
  609    HZ1  LYS 101           HZ1      LYS 101  -4.255 -19.068  -1.003
  610    HZ2  LYS 101           HZ2      LYS 101  -4.729 -17.842  -1.992
  611    HZ3  LYS 101           HZ3      LYS 101  -5.810 -18.643  -1.048
  612    H    GLY 102           H        GLY 102  -7.585 -13.324   4.484
  613    HA2  GLY 102           HA2      GLY 102  -9.225 -13.959   6.084
  614    HA3  GLY 102           HA3      GLY 102  -8.108 -15.107   6.817
  615    H    GLU 103           H        GLU 103  -6.065 -12.599   6.604
  616    HA   GLU 103           HA       GLU 103  -6.458 -11.931   9.427
  617    HB2  GLU 103           HB2      GLU 103  -4.351 -11.077   7.401
  618    HB3  GLU 103           HB3      GLU 103  -4.261 -10.756   9.121
  619    HG2  GLU 103           HG2      GLU 103  -4.386 -13.602   8.022
  620    HG3  GLU 103           HG3      GLU 103  -2.893 -12.700   8.210
  621    H    SER 104           H        SER 104  -6.256  -9.734  10.284
  622    HA   SER 104           HA       SER 104  -7.087  -7.532   8.445
  623    HB2  SER 104           HB2      SER 104  -8.704  -6.675   9.919
  624    HB3  SER 104           HB3      SER 104  -9.140  -8.325   9.495
  625    HG   SER 104           HG       SER 104  -8.399  -8.989  11.548
  626    H    LYS 105           H        LYS 105  -4.602  -8.388   9.916
  627    HA   LYS 105           HA       LYS 105  -3.741  -5.612  10.358
  628    HB2  LYS 105           HB2      LYS 105  -4.136  -6.553  12.594
  629    HB3  LYS 105           HB3      LYS 105  -3.033  -7.892  12.205
  630    HG2  LYS 105           HG2      LYS 105  -1.160  -6.475  12.261
  631    HG3  LYS 105           HG3      LYS 105  -2.098  -5.002  12.270
  632    HD2  LYS 105           HD2      LYS 105  -1.320  -5.438  14.558
  633    HD3  LYS 105           HD3      LYS 105  -3.065  -5.639  14.500
  634    HE2  LYS 105           HE2      LYS 105  -2.550  -8.165  14.082
  635    HE3  LYS 105           HE3      LYS 105  -0.923  -7.756  14.641
  636    HZ1  LYS 105           HZ1      LYS 105  -2.240  -8.506  16.495
  637    HZ2  LYS 105           HZ2      LYS 105  -3.471  -7.459  16.162
  638    HZ3  LYS 105           HZ3      LYS 105  -2.016  -6.891  16.689
  639    H    SER 106           H        SER 106  -1.801  -5.250   9.363
  640    HA   SER 106           HA       SER 106  -1.219  -7.122   7.278
  641    HB2  SER 106           HB2      SER 106   0.451  -5.538   6.506
  642    HB3  SER 106           HB3      SER 106  -1.051  -4.742   6.992
  643    HG   SER 106           HG       SER 106   1.489  -4.786   8.293
  644    H    SER 107           H        SER 107   0.756  -8.038   6.642
  645    HA   SER 107           HA       SER 107   2.751  -8.672   8.789
  646    HB2  SER 107           HB2      SER 107   1.371 -10.647   8.405
  647    HB3  SER 107           HB3      SER 107   1.595 -10.517   6.660
  648    HG   SER 107           HG       SER 107   3.785 -10.840   8.444
  649    H    TYR 108           H        TYR 108   2.241  -7.371   5.664
  650    HA   TYR 108           HA       TYR 108   5.177  -7.106   5.389
  651    HB2  TYR 108           HB2      TYR 108   4.224  -8.839   3.743
  652    HB3  TYR 108           HB3      TYR 108   3.500  -7.487   2.904
  653    HD1  TYR 108           HD1      TYR 108   6.612  -9.009   4.049
  654    HD2  TYR 108           HD2      TYR 108   4.913  -6.072   1.422
  655    HE1  TYR 108           HE1      TYR 108   8.785  -8.869   2.799
  656    HE2  TYR 108           HE2      TYR 108   7.112  -5.935   0.186
  657    HH   TYR 108           HH       TYR 108   9.323  -6.712   0.055
  658    H    VAL 109           H        VAL 109   5.852  -5.207   4.671
  659    HA   VAL 109           HA       VAL 109   3.972  -3.012   4.068
  660    HB   VAL 109           HB       VAL 109   3.818  -2.839   6.250
  661   HG11  VAL 109          HG11      VAL 109   5.794  -3.031   7.929
  662   HG12  VAL 109          HG12      VAL 109   6.566  -3.877   6.556
  663   HG13  VAL 109          HG13      VAL 109   5.074  -4.496   7.242
  664   HG21  VAL 109          HG21      VAL 109   6.209  -1.074   6.004
  665   HG22  VAL 109          HG22      VAL 109   4.962  -1.029   7.263
  666   HG23  VAL 109          HG23      VAL 109   4.521  -0.662   5.596
  667    H    ILE 110           H        ILE 110   4.849  -1.197   3.263
  668    HA   ILE 110           HA       ILE 110   7.692  -1.327   2.353
  669    HB   ILE 110           HB       ILE 110   5.310  -1.010   0.529
  670   HG12  ILE 110          HG12      ILE 110   6.746  -3.548   1.289
  671   HG13  ILE 110          HG13      ILE 110   5.037  -3.236   1.267
  672   HG21  ILE 110          HG21      ILE 110   8.224  -1.673  -0.101
  673   HG22  ILE 110          HG22      ILE 110   7.523  -0.044  -0.207
  674   HG23  ILE 110          HG23      ILE 110   6.953  -1.314  -1.281
  675   HD11  ILE 110          HD11      ILE 110   5.440  -4.683  -0.525
  676   HD12  ILE 110          HD12      ILE 110   6.886  -3.789  -1.031
  677   HD13  ILE 110          HD13      ILE 110   5.251  -3.094  -1.293
  678    H    ASN 111           H        ASN 111   8.511   0.521   2.923
  679    HA   ASN 111           HA       ASN 111   6.920   2.980   3.289
  680    HB2  ASN 111           HB2      ASN 111   9.925   2.505   3.474
  681    HB3  ASN 111           HB3      ASN 111   9.051   3.908   4.075
  682   HD21  ASN 111          HD21      ASN 111  10.756   1.663   5.397
  683   HD22  ASN 111          HD22      ASN 111   9.737   1.170   6.744
  684    H    GLY 112           H        GLY 112   7.162   4.835   1.997
  685    HA2  GLY 112           HA2      GLY 112   8.808   4.667  -0.479
  686    HA3  GLY 112           HA3      GLY 112   7.057   4.632  -0.651
  687    HA   PRO 113           HA       PRO 113   8.853   8.945  -0.764
  688    HB2  PRO 113           HB2      PRO 113   7.863   9.799  -3.142
  689    HB3  PRO 113           HB3      PRO 113   9.266   8.718  -3.025
  690    HG2  PRO 113           HG2      PRO 113   6.392   7.830  -3.453
  691    HG3  PRO 113           HG3      PRO 113   7.806   7.482  -4.478
  692    HD2  PRO 113           HD2      PRO 113   6.977   5.782  -2.539
  693    HD3  PRO 113           HD3      PRO 113   8.733   6.068  -2.754
  694    H    GLY 114           H        GLY 114   7.895  10.408   0.420
  695    HA2  GLY 114           HA2      GLY 114   5.701  11.924  -0.118
  696    HA3  GLY 114           HA3      GLY 114   4.990  10.616   0.811
  697    H    LYS 115           H        LYS 115   7.710  10.603   2.381
  698    HA   LYS 115           HA       LYS 115   8.439  11.165   4.407
  699    HB2  LYS 115           HB2      LYS 115   9.003  13.272   3.215
  700    HB3  LYS 115           HB3      LYS 115   7.484  13.979   3.776
  701    HG2  LYS 115           HG2      LYS 115   8.247  13.638   6.147
  702    HG3  LYS 115           HG3      LYS 115   9.791  13.024   5.526
  703    HD2  LYS 115           HD2      LYS 115  10.218  15.220   4.469
  704    HD3  LYS 115           HD3      LYS 115   8.619  15.783   5.009
  705    HE2  LYS 115           HE2      LYS 115   9.309  15.319   7.373
  706    HE3  LYS 115           HE3      LYS 115  10.927  14.895   6.787
  707    HZ1  LYS 115           HZ1      LYS 115   9.624  17.558   6.489
  708    HZ2  LYS 115           HZ2      LYS 115  11.133  17.182   5.941
  709    HZ3  LYS 115           HZ3      LYS 115  10.813  17.192   7.559
  710    H    THR 116           H        THR 116   5.065  12.162   3.949
  711    HA   THR 116           HA       THR 116   4.282  11.395   6.654
  712    HB   THR 116           HB       THR 116   5.237  13.638   7.064
  713    HG1  THR 116           HG1      THR 116   3.544  14.395   8.117
  714   HG21  THR 116          HG21      THR 116   3.198  14.687   5.044
  715   HG22  THR 116          HG22      THR 116   4.966  14.715   4.861
  716   HG23  THR 116          HG23      THR 116   4.189  15.667   6.135
  717    H    ASN 117           H        ASN 117   1.922  11.412   6.848
  718    HA   ASN 117           HA       ASN 117   0.567  11.253   4.238
  719    HB2  ASN 117           HB2      ASN 117  -0.321  10.694   7.108
  720    HB3  ASN 117           HB3      ASN 117  -1.354  10.555   5.685
  721   HD21  ASN 117          HD21      ASN 117  -0.332   9.287   3.831
  722   HD22  ASN 117          HD22      ASN 117   0.575   7.839   4.277
  723    H    GLU 118           H        GLU 118   0.814  13.654   6.807
  724    HA   GLU 118           HA       GLU 118  -1.785  14.635   6.538
  725    HB2  GLU 118           HB2      GLU 118  -1.169  16.368   8.053
  726    HB3  GLU 118           HB3      GLU 118  -0.291  14.905   8.498
  727    HG2  GLU 118           HG2      GLU 118   1.721  15.824   7.253
  728    HG3  GLU 118           HG3      GLU 118   0.813  17.306   6.977
  729    H    TYR 119           H        TYR 119   0.591  15.286   4.352
  730    HA   TYR 119           HA       TYR 119   0.371  16.621   2.347
  731    HB2  TYR 119           HB2      TYR 119  -1.592  17.867   2.995
  732    HB3  TYR 119           HB3      TYR 119  -0.668  18.772   4.204
  733    HD1  TYR 119           HD1      TYR 119   0.204  17.999   0.610
  734    HD2  TYR 119           HD2      TYR 119  -0.779  20.993   3.548
  735    HE1  TYR 119           HE1      TYR 119   0.844  19.778  -0.998
  736    HE2  TYR 119           HE2      TYR 119  -0.225  22.780   1.899
  737    HH   TYR 119           HH       TYR 119   1.216  21.988  -1.279
  738    H    ALA 120           H        ALA 120   2.466  16.865   1.846
  739    HA   ALA 120           HA       ALA 120   4.358  17.188   4.037
  740    HB1  ALA 120           HB1      ALA 120   4.336  15.297   2.383
  741    HB2  ALA 120           HB2      ALA 120   5.891  16.143   2.461
  742    HB3  ALA 120           HB3      ALA 120   4.776  16.458   1.112
  743    H    TYR 121           H        TYR 121   3.250  19.674   3.560
  744    HA   TYR 121           HA       TYR 121   5.485  21.277   2.376
  745    HB2  TYR 121           HB2      TYR 121   3.549  21.093   0.811
  746    HB3  TYR 121           HB3      TYR 121   2.521  21.790   2.057
  747    HD1  TYR 121           HD1      TYR 121   5.514  22.470  -0.080
  748    HD2  TYR 121           HD2      TYR 121   2.326  24.151   2.266
  749    HE1  TYR 121           HE1      TYR 121   6.080  24.731  -0.935
  750    HE2  TYR 121           HE2      TYR 121   2.906  26.437   1.423
  751    HH   TYR 121           HH       TYR 121   5.691  26.978  -0.765
  752    H1   ACE   6           H1       ACE   6  12.313   5.707  -1.782
  753    H2   ACE   6           H2       ACE   6  13.267   4.234  -1.573
  754    H3   ACE   6           H3       ACE   6  11.985   4.277  -2.793
  755    H    THR   7           H        THR   7  14.159   6.638  -4.796
  756    HA   THR   7           HA       THR   7  11.566   6.960  -3.607
  757    HB   THR   7           HB       THR   7  12.987   8.557  -5.091
  758    HG1  THR   7           HG1      THR   7  11.135   9.169  -4.235
  759   HG21  THR   7          HG21      THR   7  11.265   7.346  -7.292
  760   HG22  THR   7          HG22      THR   7  13.024   7.109  -7.134
  761   HG23  THR   7          HG23      THR   7  12.366   8.731  -7.405
  762    H    THR   8           H        THR   8  12.676   4.552  -5.376
  763    HA   THR   8           HA       THR   8  10.107   3.248  -5.257
  764    HB   THR   8           HB       THR   8  10.347   4.138  -7.650
  765    HG1  THR   8           HG1      THR   8   9.633   1.493  -7.762
  766   HG21  THR   8          HG21      THR   8  11.983   1.607  -7.962
  767   HG22  THR   8          HG22      THR   8  12.415   3.280  -8.432
  768   HG23  THR   8          HG23      THR   8  11.116   2.432  -9.264
  769    HA   PRO   9           HA       PRO   9  13.326  -0.133  -5.171
  770    HB2  PRO   9           HB2      PRO   9  15.978   0.167  -5.081
  771    HB3  PRO   9           HB3      PRO   9  14.980   0.317  -6.574
  772    HG2  PRO   9           HG2      PRO   9  15.904   2.582  -4.776
  773    HG3  PRO   9           HG3      PRO   9  16.215   2.397  -6.542
  774    HD2  PRO   9           HD2      PRO   9  14.163   3.829  -5.626
  775    HD3  PRO   9           HD3      PRO   9  13.977   2.796  -7.070
  776    H    ASP  10           H        ASP  10  12.086   0.238  -3.328
  777    HA   ASP  10           HA       ASP  10  13.727  -0.680  -1.063
  778    HB2  ASP  10           HB2      ASP  10  13.182   1.742  -0.568
  779    HB3  ASP  10           HB3      ASP  10  11.482   1.327  -0.542
  780    H2   TYS  11           H2       TYS  11  13.100  -2.724  -1.610
  781    HA   TYS  11           HA       TYS  11  10.315  -3.239  -2.417
  782    HB2  TYS  11           HB2      TYS  11  12.914  -4.571  -3.140
  783    HB3  TYS  11           HB3      TYS  11  11.482  -5.573  -3.097
  784    HD1  TYS  11           HD1      TYS  11   9.771  -5.437  -4.700
  785    HD2  TYS  11           HD2      TYS  11  12.521  -2.172  -4.294
  786    HE1  TYS  11           HE1      TYS  11   8.782  -4.402  -6.590
  787    HE2  TYS  11           HE2      TYS  11  11.265  -0.973  -6.007
  788    H    GLY  12           H        GLY  12  10.582  -2.682  -0.172
  789    HA2  GLY  12           HA2      GLY  12   9.109  -2.973   1.562
  790    HA3  GLY  12           HA3      GLY  12   8.564  -4.394   0.687
  791    H    HIS  13           H        HIS  13   8.391  -4.557   3.471
  792    HA   HIS  13           HA       HIS  13  10.297  -6.741   4.035
  793    HB2  HIS  13           HB2      HIS  13  10.824  -5.775   6.252
  794    HB3  HIS  13           HB3      HIS  13  11.556  -4.875   4.920
  795    HD1  HIS  13           HD1      HIS  13  10.380  -2.476   4.256
  796    HD2  HIS  13           HD2      HIS  13   8.804  -4.474   7.623
  797    HE1  HIS  13           HE1      HIS  13   8.409  -1.069   5.174
  798    HE2  HIS  13           HE2      HIS  13   7.838  -2.045   7.471
  799    H2   TYS  14           H2       TYS  14   9.693  -8.046   5.803
  800    HA   TYS  14           HA       TYS  14   6.826  -7.978   6.472
  801    HB2  TYS  14           HB2      TYS  14   9.047  -9.913   7.268
  802    HB3  TYS  14           HB3      TYS  14   7.422 -10.004   7.879
  803    HD1  TYS  14           HD1      TYS  14   9.311 -10.136   4.547
  804    HD2  TYS  14           HD2      TYS  14   5.664 -11.068   6.664
  805    HE1  TYS  14           HE1      TYS  14   8.720 -11.685   2.842
  806    HE2  TYS  14           HE2      TYS  14   5.091 -12.672   4.928
  807    H    ASP  15           H        ASP  15   5.950  -7.339   8.317
  808    HA   ASP  15           HA       ASP  15   7.631  -6.849  10.660
  809    HB2  ASP  15           HB2      ASP  15   7.505  -4.664   9.114
  810    HB3  ASP  15           HB3      ASP  15   5.969  -4.466   9.871
  811    H    ASP  16           H        ASP  16   6.418  -6.336  12.553
  812    HA   ASP  16           HA       ASP  16   3.586  -7.308  12.587
  813    HB2  ASP  16           HB2      ASP  16   5.884  -8.222  14.367
  814    HB3  ASP  16           HB3      ASP  16   4.194  -8.673  14.586
  815    H    LYS  17           H        LYS  17   5.689  -4.855  13.606
  816    HA   LYS  17           HA       LYS  17   3.627  -3.868  15.546
  817    HB2  LYS  17           HB2      LYS  17   5.345  -2.671  16.768
  818    HB3  LYS  17           HB3      LYS  17   5.575  -4.425  16.848
  819    HG2  LYS  17           HG2      LYS  17   7.411  -4.276  15.209
  820    HG3  LYS  17           HG3      LYS  17   7.145  -2.533  15.041
  821    HD2  LYS  17           HD2      LYS  17   7.686  -2.218  17.450
  822    HD3  LYS  17           HD3      LYS  17   7.994  -3.963  17.594
  823    HE2  LYS  17           HE2      LYS  17   9.807  -3.804  15.935
  824    HE3  LYS  17           HE3      LYS  17   9.441  -2.098  15.662
  825    HZ1  LYS  17           HZ1      LYS  17  11.315  -2.421  17.170
  826    HZ2  LYS  17           HZ2      LYS  17  10.095  -1.610  17.897
  827    HZ3  LYS  17           HZ3      LYS  17  10.350  -3.203  18.270
  828    H    ASP  18           H        ASP  18   5.910  -3.056  12.970
  829    HA   ASP  18           HA       ASP  18   4.415  -0.558  12.425
  830    HB2  ASP  18           HB2      ASP  18   6.753  -1.909  11.045
  831    HB3  ASP  18           HB3      ASP  18   5.881  -0.545  10.376
  832    H    THR  19           H        THR  19   2.426  -1.809  12.517
  833    HA   THR  19           HA       THR  19   1.653  -2.857   9.848
  834    HB   THR  19           HB       THR  19   1.802  -4.932  11.173
  835    HG1  THR  19           HG1      THR  19   0.155  -4.741   9.864
  836   HG21  THR  19          HG21      THR  19  -0.022  -3.794  13.249
  837   HG22  THR  19          HG22      THR  19   1.744  -3.918  13.468
  838   HG23  THR  19          HG23      THR  19   0.795  -5.377  13.182
  839    H    LEU  20           H        LEU  20  -0.545  -2.464   9.268
  840    HA   LEU  20           HA       LEU  20  -2.027  -0.535  10.979
  841    HB2  LEU  20           HB2      LEU  20  -1.765   0.227   8.645
  842    HB3  LEU  20           HB3      LEU  20  -2.328  -1.357   8.067
  843    HG   LEU  20           HG       LEU  20  -4.530  -0.913   9.094
  844   HD11  LEU  20          HD11      LEU  20  -3.389   1.853   9.668
  845   HD12  LEU  20          HD12      LEU  20  -3.989   0.682  10.865
  846   HD13  LEU  20          HD13      LEU  20  -5.114   1.427   9.725
  847   HD21  LEU  20          HD21      LEU  20  -3.483   1.220   7.174
  848   HD22  LEU  20          HD22      LEU  20  -5.191   0.751   7.378
  849   HD23  LEU  20          HD23      LEU  20  -4.018  -0.422   6.777
  850    H    ASP  21           H        ASP  21  -3.396  -1.513  12.265
  851    HA   ASP  21           HA       ASP  21  -4.677  -4.104  11.583
  852    HB2  ASP  21           HB2      ASP  21  -5.950  -3.226  13.863
  853    HB3  ASP  21           HB3      ASP  21  -4.771  -4.459  13.736
  854    H    LEU  22           H        LEU  22  -6.240  -3.985  10.255
  855    HA   LEU  22           HA       LEU  22  -7.982  -1.656   9.813
  856    HB2  LEU  22           HB2      LEU  22  -7.579  -4.415   8.717
  857    HB3  LEU  22           HB3      LEU  22  -9.218  -3.757   8.600
  858    HG   LEU  22           HG       LEU  22  -8.526  -2.031   7.145
  859   HD11  LEU  22          HD11      LEU  22  -6.518  -1.201   8.173
  860   HD12  LEU  22          HD12      LEU  22  -6.118  -1.700   6.529
  861   HD13  LEU  22          HD13      LEU  22  -5.660  -2.742   7.899
  862   HD21  LEU  22          HD21      LEU  22  -6.798  -4.469   6.514
  863   HD22  LEU  22          HD22      LEU  22  -7.360  -3.253   5.347
  864   HD23  LEU  22          HD23      LEU  22  -8.535  -4.315   6.145
  865    H    ASN  23           H        ASN  23  -8.033  -4.583  11.831
  866    HA   ASN  23           HA       ASN  23 -10.369  -3.449  13.306
  867    HB2  ASN  23           HB2      ASN  23 -10.241  -6.316  12.294
  868    HB3  ASN  23           HB3      ASN  23 -11.527  -5.580  13.207
  869   HD21  ASN  23          HD21      ASN  23  -9.948  -5.675  10.116
  870   HD22  ASN  23          HD22      ASN  23 -11.285  -4.998   9.183
  871    H    THR  24           H        THR  24  -7.325  -5.033  13.686
  872    HA   THR  24           HA       THR  24  -8.145  -6.170  16.332
  873    HB   THR  24           HB       THR  24  -8.357  -7.767  14.522
  874    HG1  THR  24           HG1      THR  24  -8.069  -8.708  16.366
  875   HG21  THR  24          HG21      THR  24  -5.329  -7.768  14.297
  876   HG22  THR  24          HG22      THR  24  -6.402  -6.937  13.160
  877   HG23  THR  24          HG23      THR  24  -6.505  -8.701  13.365
  878    HA   PRO  25           HA       PRO  25  -4.014  -4.296  17.284
  879    HB2  PRO  25           HB2      PRO  25  -4.954  -2.297  18.985
  880    HB3  PRO  25           HB3      PRO  25  -4.455  -2.072  17.294
  881    HG2  PRO  25           HG2      PRO  25  -7.206  -2.107  18.409
  882    HG3  PRO  25           HG3      PRO  25  -6.589  -1.394  16.879
  883    HD2  PRO  25           HD2      PRO  25  -8.015  -3.835  17.175
  884    HD3  PRO  25           HD3      PRO  25  -7.240  -3.160  15.713
  885    H    VAL  26           H        VAL  26  -3.048  -4.956  19.204
  886    HA   VAL  26           HA       VAL  26  -4.617  -5.786  21.557
  887    HB   VAL  26           HB       VAL  26  -4.981  -7.562  19.818
  888   HG11  VAL  26          HG11      VAL  26  -2.710  -7.470  18.785
  889   HG12  VAL  26          HG12      VAL  26  -3.235  -9.105  19.212
  890   HG13  VAL  26          HG13      VAL  26  -2.055  -8.262  20.224
  891   HG21  VAL  26          HG21      VAL  26  -4.671  -9.452  21.275
  892   HG22  VAL  26          HG22      VAL  26  -5.166  -8.062  22.247
  893   HG23  VAL  26          HG23      VAL  26  -3.468  -8.598  22.243
  894    H    ASP  27           H        ASP  27  -3.498  -6.346  23.326
  895    HA   ASP  27           HA       ASP  27  -0.525  -6.008  23.332
  896    HB2  ASP  27           HB2      ASP  27  -2.661  -4.655  25.015
  897    HB3  ASP  27           HB3      ASP  27  -1.052  -4.901  25.667
  898    H    LYS  28           H        LYS  28   0.328  -6.645  25.490
  899    HA   LYS  28           HA       LYS  28  -1.025  -8.954  26.808
  900    HB2  LYS  28           HB2      LYS  28   0.471  -9.723  24.875
  901    HB3  LYS  28           HB3      LYS  28   1.854  -9.212  25.837
  902    HG2  LYS  28           HG2      LYS  28   1.240 -10.828  27.610
  903    HG3  LYS  28           HG3      LYS  28  -0.280 -11.183  26.773
  904    HD2  LYS  28           HD2      LYS  28   1.089 -11.969  24.789
  905    HD3  LYS  28           HD3      LYS  28   2.527 -11.879  25.810
  906    HE2  LYS  28           HE2      LYS  28   0.032 -13.482  26.547
  907    HE3  LYS  28           HE3      LYS  28   1.311 -14.151  25.531
  908    HZ1  LYS  28           HZ1      LYS  28   1.627 -14.772  27.820
  909    HZ2  LYS  28           HZ2      LYS  28   2.875 -13.832  27.331
  910    HZ3  LYS  28           HZ3      LYS  28   1.696 -13.207  28.320
  911    HN1  NH2  29           HN1      NH2  29  -1.247  -6.902  28.207
  912    HN2  NH2  29           HN2      NH2  29   0.010  -6.706  29.404
  Start of MODEL   15
    1    H1   ASN  31           H1       ASN  31  -3.385  16.774 -20.637
    2    H2   ASN  31           H2       ASN  31  -3.392  18.140 -21.553
    3    H3   ASN  31           H3       ASN  31  -2.019  17.696 -20.769
    4    HA   ASN  31           HA       ASN  31  -3.335  16.245 -22.950
    5    HB2  ASN  31           HB2      ASN  31  -0.850  17.976 -22.977
    6    HB3  ASN  31           HB3      ASN  31  -1.208  16.759 -24.207
    7   HD21  ASN  31          HD21      ASN  31  -1.162  18.958 -25.527
    8   HD22  ASN  31          HD22      ASN  31  -2.789  19.597 -25.754
    9    H    SER  32           H        SER  32  -0.472  16.103 -20.699
   10    HA   SER  32           HA       SER  32  -0.557  13.153 -20.942
   11    HB2  SER  32           HB2      SER  32   1.860  13.075 -21.583
   12    HB3  SER  32           HB3      SER  32   0.811  13.742 -22.842
   13    HG   SER  32           HG       SER  32   2.714  14.977 -22.552
   14    H    GLY  33           H        GLY  33   0.922  12.033 -19.501
   15    HA2  GLY  33           HA2      GLY  33   2.762  13.095 -17.791
   16    HA3  GLY  33           HA3      GLY  33   1.269  13.293 -16.870
   17    H    LEU  34           H        LEU  34   3.337  11.865 -15.883
   18    HA   LEU  34           HA       LEU  34   3.100   9.019 -16.385
   19    HB2  LEU  34           HB2      LEU  34   4.584  10.617 -14.265
   20    HB3  LEU  34           HB3      LEU  34   4.804   8.891 -14.545
   21    HG   LEU  34           HG       LEU  34   5.348  11.040 -16.653
   22   HD11  LEU  34          HD11      LEU  34   7.707  10.704 -16.193
   23   HD12  LEU  34          HD12      LEU  34   7.319   9.548 -14.907
   24   HD13  LEU  34          HD13      LEU  34   6.870  11.262 -14.739
   25   HD21  LEU  34          HD21      LEU  34   6.055   8.079 -16.561
   26   HD22  LEU  34          HD22      LEU  34   6.623   9.237 -17.781
   27   HD23  LEU  34          HD23      LEU  34   4.904   8.856 -17.675
   28    HA   PRO  35           HA       PRO  35  -0.231   7.898 -13.913
   29    HB2  PRO  35           HB2      PRO  35   1.372   5.712 -12.653
   30    HB3  PRO  35           HB3      PRO  35  -0.244   5.636 -13.413
   31    HG2  PRO  35           HG2      PRO  35   1.957   4.794 -14.763
   32    HG3  PRO  35           HG3      PRO  35   0.694   5.755 -15.596
   33    HD2  PRO  35           HD2      PRO  35   3.363   6.690 -14.537
   34    HD3  PRO  35           HD3      PRO  35   2.524   7.103 -16.052
   35    H    THR  36           H        THR  36  -1.235   8.627 -12.173
   36    HA   THR  36           HA       THR  36  -0.221   7.947  -9.490
   37    HB   THR  36           HB       THR  36   0.505  10.207  -9.590
   38    HG1  THR  36           HG1      THR  36  -1.945  10.150  -8.249
   39   HG21  THR  36          HG21      THR  36  -1.085  12.107  -9.869
   40   HG22  THR  36          HG22      THR  36  -2.331  10.960 -10.411
   41   HG23  THR  36          HG23      THR  36  -0.853  11.187 -11.363
   42    H    THR  37           H        THR  37  -1.953   6.476 -10.954
   43    HA   THR  37           HA       THR  37  -4.531   6.913  -9.533
   44    HB   THR  37           HB       THR  37  -5.618   5.638 -11.334
   45    HG1  THR  37           HG1      THR  37  -4.522   5.119 -13.130
   46   HG21  THR  37          HG21      THR  37  -5.583   8.113 -11.497
   47   HG22  THR  37          HG22      THR  37  -5.556   7.339 -13.093
   48   HG23  THR  37          HG23      THR  37  -4.070   8.025 -12.421
   49    H    LEU  38           H        LEU  38  -5.610   5.101  -8.687
   50    HA   LEU  38           HA       LEU  38  -3.880   3.561  -7.166
   51    HB2  LEU  38           HB2      LEU  38  -6.202   4.343  -6.620
   52    HB3  LEU  38           HB3      LEU  38  -6.807   3.205  -7.841
   53    HG   LEU  38           HG       LEU  38  -6.091   1.363  -6.672
   54   HD11  LEU  38          HD11      LEU  38  -5.258   1.463  -4.303
   55   HD12  LEU  38          HD12      LEU  38  -5.052   3.214  -4.488
   56   HD13  LEU  38          HD13      LEU  38  -4.089   2.073  -5.471
   57   HD21  LEU  38          HD21      LEU  38  -7.637   3.237  -4.852
   58   HD22  LEU  38          HD22      LEU  38  -7.633   1.461  -4.729
   59   HD23  LEU  38          HD23      LEU  38  -8.309   2.247  -6.163
   60    H    GLY  39           H        GLY  39  -5.706   2.527 -10.075
   61    HA2  GLY  39           HA2      GLY  39  -5.047  -0.231  -9.877
   62    HA3  GLY  39           HA3      GLY  39  -5.629   0.578 -11.302
   63    H    LYS  40           H        LYS  40  -3.290   2.483 -11.298
   64    HA   LYS  40           HA       LYS  40  -1.304   0.729 -12.659
   65    HB2  LYS  40           HB2      LYS  40  -1.625   3.753 -12.505
   66    HB3  LYS  40           HB3      LYS  40  -0.311   2.915 -13.356
   67    HG2  LYS  40           HG2      LYS  40  -1.992   1.692 -14.727
   68    HG3  LYS  40           HG3      LYS  40  -3.294   2.601 -13.959
   69    HD2  LYS  40           HD2      LYS  40  -2.462   4.687 -14.905
   70    HD3  LYS  40           HD3      LYS  40  -1.063   3.853 -15.616
   71    HE2  LYS  40           HE2      LYS  40  -2.451   2.535 -17.079
   72    HE3  LYS  40           HE3      LYS  40  -3.932   3.035 -16.252
   73    HZ1  LYS  40           HZ1      LYS  40  -3.491   4.220 -18.397
   74    HZ2  LYS  40           HZ2      LYS  40  -2.213   4.973 -17.689
   75    HZ3  LYS  40           HZ3      LYS  40  -3.743   5.200 -17.108
   76    H    LEU  41           H        LEU  41  -1.641   2.613  -9.692
   77    HA   LEU  41           HA       LEU  41   1.046   2.102  -8.730
   78    HB2  LEU  41           HB2      LEU  41  -0.647   3.792  -7.812
   79    HB3  LEU  41           HB3      LEU  41  -1.521   2.422  -7.136
   80    HG   LEU  41           HG       LEU  41   0.836   1.810  -6.052
   81   HD11  LEU  41          HD11      LEU  41   2.163   3.797  -5.513
   82   HD12  LEU  41          HD12      LEU  41   1.105   4.817  -6.497
   83   HD13  LEU  41          HD13      LEU  41   2.116   3.567  -7.262
   84   HD21  LEU  41          HD21      LEU  41   0.262   3.004  -4.083
   85   HD22  LEU  41          HD22      LEU  41  -1.235   2.465  -4.854
   86   HD23  LEU  41          HD23      LEU  41  -0.741   4.170  -4.990
   87    H    ASP  42           H        ASP  42  -2.080   0.318  -8.378
   88    HA   ASP  42           HA       ASP  42  -1.183  -1.885  -6.870
   89    HB2  ASP  42           HB2      ASP  42  -3.504  -1.612  -7.221
   90    HB3  ASP  42           HB3      ASP  42  -3.326  -1.487  -8.962
   91    H    GLU  43           H        GLU  43  -0.778  -1.419 -10.377
   92    HA   GLU  43           HA       GLU  43   0.255  -4.052 -10.859
   93    HB2  GLU  43           HB2      GLU  43  -0.627  -2.355 -12.545
   94    HB3  GLU  43           HB3      GLU  43   0.930  -1.536 -12.434
   95    HG2  GLU  43           HG2      GLU  43   2.086  -3.549 -13.237
   96    HG3  GLU  43           HG3      GLU  43   0.589  -4.492 -13.137
   97    H    ARG  44           H        ARG  44   1.839  -1.020  -9.863
   98    HA   ARG  44           HA       ARG  44   4.540  -2.167  -9.768
   99    HB2  ARG  44           HB2      ARG  44   3.232   0.365  -8.744
  100    HB3  ARG  44           HB3      ARG  44   4.731  -0.179  -7.993
  101    HG2  ARG  44           HG2      ARG  44   5.838  -0.263 -10.196
  102    HG3  ARG  44           HG3      ARG  44   4.347   0.282 -10.987
  103    HD2  ARG  44           HD2      ARG  44   4.442   2.409  -9.792
  104    HD3  ARG  44           HD3      ARG  44   5.840   1.865  -8.851
  105    HE   ARG  44           HE       ARG  44   6.600   1.617 -11.541
  106   HH11  ARG  44          HH11      ARG  44   5.861   4.275  -9.314
  107   HH12  ARG  44          HH12      ARG  44   6.934   5.340 -10.192
  108   HH21  ARG  44          HH21      ARG  44   7.993   3.202 -12.532
  109   HH22  ARG  44          HH22      ARG  44   7.939   4.818 -11.861
  110    H    LEU  45           H        LEU  45   2.060  -1.577  -7.197
  111    HA   LEU  45           HA       LEU  45   3.542  -2.842  -5.171
  112    HB2  LEU  45           HB2      LEU  45   0.568  -2.435  -5.560
  113    HB3  LEU  45           HB3      LEU  45   1.230  -3.110  -4.078
  114    HG   LEU  45           HG       LEU  45   2.093  -0.398  -5.188
  115   HD11  LEU  45          HD11      LEU  45   0.031  -1.075  -3.064
  116   HD12  LEU  45          HD12      LEU  45  -0.281  -0.327  -4.646
  117   HD13  LEU  45          HD13      LEU  45   0.656   0.548  -3.417
  118   HD21  LEU  45          HD21      LEU  45   3.744  -1.364  -3.652
  119   HD22  LEU  45          HD22      LEU  45   2.460  -1.732  -2.468
  120   HD23  LEU  45          HD23      LEU  45   2.880  -0.064  -2.844
  121    H    ARG  46           H        ARG  46   1.402  -4.445  -7.507
  122    HA   ARG  46           HA       ARG  46   1.604  -7.092  -6.315
  123    HB2  ARG  46           HB2      ARG  46   0.815  -6.039  -9.059
  124    HB3  ARG  46           HB3      ARG  46   0.882  -7.761  -8.703
  125    HG2  ARG  46           HG2      ARG  46  -0.750  -7.520  -6.881
  126    HG3  ARG  46           HG3      ARG  46  -0.838  -5.772  -7.158
  127    HD2  ARG  46           HD2      ARG  46  -1.598  -6.221  -9.497
  128    HD3  ARG  46           HD3      ARG  46  -1.591  -7.952  -9.155
  129    HE   ARG  46           HE       ARG  46  -3.402  -5.866  -7.980
  130   HH11  ARG  46          HH11      ARG  46  -2.810  -9.331  -8.284
  131   HH12  ARG  46          HH12      ARG  46  -4.532  -9.703  -8.229
  132   HH21  ARG  46          HH21      ARG  46  -5.517  -6.453  -7.947
  133   HH22  ARG  46          HH22      ARG  46  -6.017  -8.110  -7.964
  134    H    ASN  47           H        ASN  47   3.732  -5.254  -8.495
  135    HA   ASN  47           HA       ASN  47   5.492  -7.590  -9.004
  136    HB2  ASN  47           HB2      ASN  47   5.567  -4.618  -9.636
  137    HB3  ASN  47           HB3      ASN  47   7.021  -5.578  -9.696
  138   HD21  ASN  47          HD21      ASN  47   4.078  -4.807 -11.379
  139   HD22  ASN  47          HD22      ASN  47   4.547  -5.724 -12.812
  140    H    TYR  48           H        TYR  48   5.468  -4.721  -6.840
  141    HA   TYR  48           HA       TYR  48   7.881  -5.196  -5.505
  142    HB2  TYR  48           HB2      TYR  48   5.289  -3.941  -4.523
  143    HB3  TYR  48           HB3      TYR  48   6.808  -3.852  -3.711
  144    HD1  TYR  48           HD1      TYR  48   6.997  -3.348  -7.414
  145    HD2  TYR  48           HD2      TYR  48   6.591  -1.497  -3.545
  146    HE1  TYR  48           HE1      TYR  48   7.545  -1.205  -8.392
  147    HE2  TYR  48           HE2      TYR  48   7.335   0.647  -4.507
  148    HH   TYR  48           HH       TYR  48   8.087   0.943  -8.019
  149    H    LEU  49           H        LEU  49   4.684  -6.693  -4.928
  150    HA   LEU  49           HA       LEU  49   5.533  -8.120  -2.568
  151    HB2  LEU  49           HB2      LEU  49   3.187  -8.072  -4.398
  152    HB3  LEU  49           HB3      LEU  49   3.553  -9.693  -3.857
  153    HG   LEU  49           HG       LEU  49   3.067  -7.329  -2.021
  154   HD11  LEU  49          HD11      LEU  49   0.961  -8.565  -1.501
  155   HD12  LEU  49          HD12      LEU  49   1.356  -9.757  -2.747
  156   HD13  LEU  49          HD13      LEU  49   1.031  -8.069  -3.202
  157   HD21  LEU  49          HD21      LEU  49   2.898  -9.030  -0.228
  158   HD22  LEU  49          HD22      LEU  49   4.508  -8.957  -0.916
  159   HD23  LEU  49          HD23      LEU  49   3.429 -10.285  -1.374
  160    H    LYS  50           H        LYS  50   5.332  -9.330  -5.979
  161    HA   LYS  50           HA       LYS  50   6.432 -11.909  -5.291
  162    HB2  LYS  50           HB2      LYS  50   6.523 -10.433  -7.952
  163    HB3  LYS  50           HB3      LYS  50   6.922 -12.139  -7.672
  164    HG2  LYS  50           HG2      LYS  50   4.639 -12.623  -6.976
  165    HG3  LYS  50           HG3      LYS  50   4.169 -10.933  -7.212
  166    HD2  LYS  50           HD2      LYS  50   5.189 -12.856  -9.353
  167    HD3  LYS  50           HD3      LYS  50   3.500 -12.398  -9.101
  168    HE2  LYS  50           HE2      LYS  50   4.059 -10.026  -9.612
  169    HE3  LYS  50           HE3      LYS  50   5.750 -10.474  -9.880
  170    HZ1  LYS  50           HZ1      LYS  50   3.454 -11.529 -11.444
  171    HZ2  LYS  50           HZ2      LYS  50   5.044 -11.902 -11.687
  172    HZ3  LYS  50           HZ3      LYS  50   4.480 -10.358 -11.944
  173    H    LYS  51           H        LYS  51   7.969  -8.959  -6.484
  174    HA   LYS  51           HA       LYS  51  10.668 -10.084  -6.589
  175    HB2  LYS  51           HB2      LYS  51   9.608  -7.258  -6.775
  176    HB3  LYS  51           HB3      LYS  51  11.258  -7.764  -7.193
  177    HG2  LYS  51           HG2      LYS  51  10.491  -9.042  -9.073
  178    HG3  LYS  51           HG3      LYS  51   8.799  -8.865  -8.588
  179    HD2  LYS  51           HD2      LYS  51   8.778  -7.242 -10.148
  180    HD3  LYS  51           HD3      LYS  51   9.321  -6.284  -8.781
  181    HE2  LYS  51           HE2      LYS  51  10.765  -5.657 -10.533
  182    HE3  LYS  51           HE3      LYS  51  11.739  -6.809  -9.602
  183    HZ1  LYS  51           HZ1      LYS  51  10.218  -7.399 -12.097
  184    HZ2  LYS  51           HZ2      LYS  51  11.842  -7.283 -11.989
  185    HZ3  LYS  51           HZ3      LYS  51  11.081  -8.522 -11.260
  186    H    GLY  52           H        GLY  52   8.726  -8.727  -4.016
  187    HA2  GLY  52           HA2      GLY  52  11.103  -7.862  -2.493
  188    HA3  GLY  52           HA3      GLY  52   9.407  -7.587  -2.105
  189    H    THR  53           H        THR  53   8.335 -10.145  -2.169
  190    HA   THR  53           HA       THR  53   9.304 -11.098   0.456
  191    HB   THR  53           HB       THR  53   7.145 -12.011   0.734
  192    HG1  THR  53           HG1      THR  53   6.603 -11.216  -1.971
  193   HG21  THR  53          HG21      THR  53   5.716 -10.119   0.707
  194   HG22  THR  53          HG22      THR  53   6.699  -9.317  -0.551
  195   HG23  THR  53          HG23      THR  53   7.356  -9.575   1.072
  196    H    LYS  54           H        LYS  54   9.311 -13.377   0.952
  197    HA   LYS  54           HA       LYS  54  10.600 -14.941  -1.067
  198    HB2  LYS  54           HB2      LYS  54   9.517 -15.751   1.660
  199    HB3  LYS  54           HB3      LYS  54  10.550 -16.752   0.642
  200    HG2  LYS  54           HG2      LYS  54  12.349 -15.169   0.739
  201    HG3  LYS  54           HG3      LYS  54  11.373 -13.957   1.569
  202    HD2  LYS  54           HD2      LYS  54  11.182 -15.282   3.554
  203    HD3  LYS  54           HD3      LYS  54  11.960 -16.677   2.794
  204    HE2  LYS  54           HE2      LYS  54  13.274 -13.937   3.108
  205    HE3  LYS  54           HE3      LYS  54  13.448 -15.245   4.285
  206    HZ1  LYS  54           HZ1      LYS  54  14.336 -16.641   2.481
  207    HZ2  LYS  54           HZ2      LYS  54  14.342 -15.370   1.446
  208    HZ3  LYS  54           HZ3      LYS  54  15.301 -15.365   2.801
  209    H    ASN  55           H        ASN  55   7.270 -14.871   0.119
  210    HA   ASN  55           HA       ASN  55   6.406 -16.030  -2.426
  211    HB2  ASN  55           HB2      ASN  55   6.565 -18.049  -1.026
  212    HB3  ASN  55           HB3      ASN  55   5.767 -17.209   0.308
  213   HD21  ASN  55          HD21      ASN  55   4.075 -18.634   0.539
  214   HD22  ASN  55          HD22      ASN  55   2.873 -18.922  -0.717
  215    H    SER  56           H        SER  56   5.082 -14.567  -3.159
  216    HA   SER  56           HA       SER  56   3.556 -12.780  -1.452
  217    HB2  SER  56           HB2      SER  56   2.751 -11.846  -3.590
  218    HB3  SER  56           HB3      SER  56   4.521 -11.949  -3.492
  219    HG   SER  56           HG       SER  56   4.502 -13.732  -4.813
  220    H    ALA  57           H        ALA  57   2.802 -15.926  -2.813
  221    HA   ALA  57           HA       ALA  57   0.066 -15.478  -3.419
  222    HB1  ALA  57           HB1      ALA  57  -0.082 -17.912  -3.560
  223    HB2  ALA  57           HB2      ALA  57   1.444 -18.091  -2.673
  224    HB3  ALA  57           HB3      ALA  57   1.427 -17.355  -4.294
  225    H    GLN  58           H        GLN  58   1.478 -15.785  -0.296
  226    HA   GLN  58           HA       GLN  58  -0.849 -16.796   1.113
  227    HB2  GLN  58           HB2      GLN  58   0.362 -16.176   3.112
  228    HB3  GLN  58           HB3      GLN  58   1.416 -17.050   2.000
  229    HG2  GLN  58           HG2      GLN  58   2.438 -14.895   1.290
  230    HG3  GLN  58           HG3      GLN  58   1.443 -14.032   2.436
  231   HE21  GLN  58          HE21      GLN  58   4.571 -14.811   2.176
  232   HE22  GLN  58          HE22      GLN  58   4.864 -15.352   3.835
  233    H    PHE  59           H        PHE  59   0.023 -13.687  -0.211
  234    HA   PHE  59           HA       PHE  59  -1.545 -12.124   1.686
  235    HB2  PHE  59           HB2      PHE  59  -0.010 -11.370  -0.789
  236    HB3  PHE  59           HB3      PHE  59  -0.927 -10.240   0.194
  237    HD1  PHE  59           HD1      PHE  59  -0.352  -9.856   2.596
  238    HD2  PHE  59           HD2      PHE  59   2.160 -12.225   0.049
  239    HE1  PHE  59           HE1      PHE  59   1.473  -9.708   4.268
  240    HE2  PHE  59           HE2      PHE  59   4.001 -12.075   1.704
  241    HZ   PHE  59           HZ       PHE  59   3.655 -10.830   3.820
  242    H    GLU  60           H        GLU  60  -3.424 -11.075   1.419
  243    HA   GLU  60           HA       GLU  60  -5.237 -12.063  -0.778
  244    HB2  GLU  60           HB2      GLU  60  -5.746 -13.316   1.155
  245    HB3  GLU  60           HB3      GLU  60  -5.606 -11.912   2.225
  246    HG2  GLU  60           HG2      GLU  60  -7.654 -10.951   1.376
  247    HG3  GLU  60           HG3      GLU  60  -7.776 -12.180   0.112
  248    H    LYS  61           H        LYS  61  -4.443  -9.376   1.471
  249    HA   LYS  61           HA       LYS  61  -5.318  -7.578  -0.651
  250    HB2  LYS  61           HB2      LYS  61  -6.910  -6.327   0.464
  251    HB3  LYS  61           HB3      LYS  61  -7.366  -7.980   0.802
  252    HG2  LYS  61           HG2      LYS  61  -6.437  -7.754   3.109
  253    HG3  LYS  61           HG3      LYS  61  -5.904  -6.098   2.733
  254    HD2  LYS  61           HD2      LYS  61  -8.154  -5.348   2.338
  255    HD3  LYS  61           HD3      LYS  61  -8.754  -7.009   2.381
  256    HE2  LYS  61           HE2      LYS  61  -8.007  -7.146   4.791
  257    HE3  LYS  61           HE3      LYS  61  -7.654  -5.415   4.713
  258    HZ1  LYS  61           HZ1      LYS  61 -10.310  -6.596   4.092
  259    HZ2  LYS  61           HZ2      LYS  61  -9.960  -4.983   4.253
  260    HZ3  LYS  61           HZ3      LYS  61  -9.938  -5.967   5.555
  261    H    MET  62           H        MET  62  -5.055  -5.319   0.011
  262    HA   MET  62           HA       MET  62  -2.803  -4.724   1.803
  263    HB2  MET  62           HB2      MET  62  -1.489  -3.589   0.118
  264    HB3  MET  62           HB3      MET  62  -1.742  -5.268  -0.353
  265    HG2  MET  62           HG2      MET  62  -3.493  -4.597  -1.938
  266    HG3  MET  62           HG3      MET  62  -3.283  -2.902  -1.470
  267    HE1  MET  62           HE1      MET  62  -3.184  -4.181  -4.456
  268    HE2  MET  62           HE2      MET  62  -1.839  -3.282  -5.177
  269    HE3  MET  62           HE3      MET  62  -3.038  -2.427  -4.180
  270    H    VAL  63           H        VAL  63  -2.527  -2.392   2.136
  271    HA   VAL  63           HA       VAL  63  -4.743  -0.690   1.199
  272    HB   VAL  63           HB       VAL  63  -5.403  -1.556   3.444
  273   HG11  VAL  63          HG11      VAL  63  -4.328  -1.074   5.381
  274   HG12  VAL  63          HG12      VAL  63  -3.231   0.125   4.621
  275   HG13  VAL  63          HG13      VAL  63  -3.019  -1.597   4.317
  276   HG21  VAL  63          HG21      VAL  63  -4.853   1.438   3.382
  277   HG22  VAL  63          HG22      VAL  63  -5.988   0.589   4.448
  278   HG23  VAL  63          HG23      VAL  63  -6.281   0.617   2.704
  279    H    ILE  64           H        ILE  64  -4.018   1.117   0.383
  280    HA   ILE  64           HA       ILE  64  -1.168   1.870   0.739
  281    HB   ILE  64           HB       ILE  64  -3.199   2.896  -1.290
  282   HG12  ILE  64          HG12      ILE  64  -1.637   1.558  -2.881
  283   HG13  ILE  64          HG13      ILE  64  -1.169   0.641  -1.464
  284   HG21  ILE  64          HG21      ILE  64  -0.160   3.104  -1.155
  285   HG22  ILE  64          HG22      ILE  64  -1.283   4.430  -0.788
  286   HG23  ILE  64          HG23      ILE  64  -1.211   3.789  -2.417
  287   HD11  ILE  64          HD11      ILE  64  -3.387  -0.300  -1.277
  288   HD12  ILE  64          HD12      ILE  64  -2.930  -0.358  -2.983
  289   HD13  ILE  64          HD13      ILE  64  -4.042   0.902  -2.417
  290    H    LEU  65           H        LEU  65  -0.638   3.479   2.043
  291    HA   LEU  65           HA       LEU  65  -2.589   5.575   2.828
  292    HB2  LEU  65           HB2      LEU  65  -0.260   4.186   4.188
  293    HB3  LEU  65           HB3      LEU  65  -0.628   5.867   4.592
  294    HG   LEU  65           HG       LEU  65  -2.908   5.316   5.099
  295   HD11  LEU  65          HD11      LEU  65  -2.210   2.427   4.587
  296   HD12  LEU  65          HD12      LEU  65  -3.486   3.420   3.829
  297   HD13  LEU  65          HD13      LEU  65  -3.635   2.974   5.511
  298   HD21  LEU  65          HD21      LEU  65  -2.517   4.166   7.237
  299   HD22  LEU  65          HD22      LEU  65  -1.146   5.227   6.890
  300   HD23  LEU  65          HD23      LEU  65  -1.010   3.473   6.612
  301    H    THR  66           H        THR  66  -2.391   7.317   1.642
  302    HA   THR  66           HA       THR  66   0.245   7.976   0.388
  303    HB   THR  66           HB       THR  66  -0.889   9.250  -1.270
  304    HG1  THR  66           HG1      THR  66  -2.592  10.106  -0.161
  305   HG21  THR  66          HG21      THR  66  -0.791   6.811  -1.698
  306   HG22  THR  66          HG22      THR  66  -2.169   7.604  -2.481
  307   HG23  THR  66          HG23      THR  66  -2.426   6.643  -1.009
  308    H    GLU  67           H        GLU  67   0.626  10.362   0.079
  309    HA   GLU  67           HA       GLU  67   0.172  11.907   2.426
  310    HB2  GLU  67           HB2      GLU  67   0.549  13.054  -0.352
  311    HB3  GLU  67           HB3      GLU  67   0.869  13.831   1.194
  312    HG2  GLU  67           HG2      GLU  67   2.550  11.834   1.566
  313    HG3  GLU  67           HG3      GLU  67   2.411  11.609  -0.174
  314    H    ASN  68           H        ASN  68  -1.138  13.952   2.493
  315    HA   ASN  68           HA       ASN  68  -3.162  14.975   2.617
  316    HB2  ASN  68           HB2      ASN  68  -3.413  14.124  -0.259
  317    HB3  ASN  68           HB3      ASN  68  -4.129  15.551   0.464
  318   HD21  ASN  68          HD21      ASN  68  -1.969  14.970  -1.726
  319   HD22  ASN  68          HD22      ASN  68  -0.643  16.048  -1.236
  320    H    LYS  69           H        LYS  69  -3.311  12.461   3.688
  321    HA   LYS  69           HA       LYS  69  -4.788  11.193   4.764
  322    HB2  LYS  69           HB2      LYS  69  -6.982  12.978   3.647
  323    HB3  LYS  69           HB3      LYS  69  -7.043  12.024   5.121
  324    HG2  LYS  69           HG2      LYS  69  -5.379  13.428   6.205
  325    HG3  LYS  69           HG3      LYS  69  -5.135  14.380   4.737
  326    HD2  LYS  69           HD2      LYS  69  -7.714  14.244   6.332
  327    HD3  LYS  69           HD3      LYS  69  -6.514  15.550   6.346
  328    HE2  LYS  69           HE2      LYS  69  -6.907  15.929   3.910
  329    HE3  LYS  69           HE3      LYS  69  -8.157  14.682   3.920
  330    HZ1  LYS  69           HZ1      LYS  69  -8.275  17.138   5.590
  331    HZ2  LYS  69           HZ2      LYS  69  -9.461  16.019   5.418
  332    HZ3  LYS  69           HZ3      LYS  69  -9.027  16.960   4.138
  333    H    GLY  70           H        GLY  70  -4.241  10.511   1.853
  334    HA2  GLY  70           HA2      GLY  70  -6.584   8.970   1.042
  335    HA3  GLY  70           HA3      GLY  70  -4.979   8.843   0.363
  336    H    TYR  71           H        TYR  71  -7.125   6.999   1.481
  337    HA   TYR  71           HA       TYR  71  -5.346   4.962   2.660
  338    HB2  TYR  71           HB2      TYR  71  -6.304   6.108   4.609
  339    HB3  TYR  71           HB3      TYR  71  -7.916   5.944   3.956
  340    HD1  TYR  71           HD1      TYR  71  -8.841   3.487   3.618
  341    HD2  TYR  71           HD2      TYR  71  -5.556   4.527   6.237
  342    HE1  TYR  71           HE1      TYR  71  -9.313   1.510   5.006
  343    HE2  TYR  71           HE2      TYR  71  -6.111   2.591   7.674
  344    HH   TYR  71           HH       TYR  71  -7.617   0.873   8.096
  345    H    TYR  72           H        TYR  72  -5.568   3.456   1.094
  346    HA   TYR  72           HA       TYR  72  -8.238   3.023  -0.220
  347    HB2  TYR  72           HB2      TYR  72  -5.498   2.995  -1.522
  348    HB3  TYR  72           HB3      TYR  72  -7.038   2.726  -2.311
  349    HD1  TYR  72           HD1      TYR  72  -8.609   4.614  -2.712
  350    HD2  TYR  72           HD2      TYR  72  -4.695   5.213  -0.990
  351    HE1  TYR  72           HE1      TYR  72  -8.733   7.030  -3.278
  352    HE2  TYR  72           HE2      TYR  72  -4.816   7.636  -1.578
  353    HH   TYR  72           HH       TYR  72  -7.684   9.048  -3.189
  354    H    THR  73           H        THR  73  -8.935   1.033   0.408
  355    HA   THR  73           HA       THR  73  -6.991  -1.163   0.859
  356    HB   THR  73           HB       THR  73  -8.855  -0.735   2.442
  357    HG1  THR  73           HG1      THR  73  -9.242  -2.870   2.729
  358   HG21  THR  73          HG21      THR  73 -10.644  -2.081   0.377
  359   HG22  THR  73          HG22      THR  73 -10.723  -0.357   0.802
  360   HG23  THR  73          HG23      THR  73 -11.067  -1.579   2.027
  361    H    VAL  74           H        VAL  74  -6.712  -2.918  -0.419
  362    HA   VAL  74           HA       VAL  74  -8.239  -3.179  -2.967
  363    HB   VAL  74           HB       VAL  74  -5.207  -2.974  -2.797
  364   HG11  VAL  74          HG11      VAL  74  -7.078  -3.311  -5.180
  365   HG12  VAL  74          HG12      VAL  74  -5.934  -4.527  -4.572
  366   HG13  VAL  74          HG13      VAL  74  -5.328  -3.035  -5.280
  367   HG21  VAL  74          HG21      VAL  74  -7.203  -1.028  -4.021
  368   HG22  VAL  74          HG22      VAL  74  -5.437  -0.951  -4.197
  369   HG23  VAL  74          HG23      VAL  74  -6.164  -0.725  -2.608
  370    H    TYR  75           H        TYR  75  -8.826  -5.262  -3.209
  371    HA   TYR  75           HA       TYR  75  -7.462  -7.386  -1.648
  372    HB2  TYR  75           HB2      TYR  75 -10.022  -7.276  -3.246
  373    HB3  TYR  75           HB3      TYR  75  -9.280  -8.804  -2.799
  374    HD1  TYR  75           HD1      TYR  75 -10.324  -5.547  -1.183
  375    HD2  TYR  75           HD2      TYR  75  -9.855  -9.818  -0.755
  376    HE1  TYR  75           HE1      TYR  75 -11.345  -5.434   1.070
  377    HE2  TYR  75           HE2      TYR  75 -10.943  -9.711   1.478
  378    HH   TYR  75           HH       TYR  75 -12.080  -8.361   2.994
  379    H    LEU  76           H        LEU  76  -6.003  -8.698  -2.429
  380    HA   LEU  76           HA       LEU  76  -4.899  -8.236  -5.121
  381    HB2  LEU  76           HB2      LEU  76  -4.059  -9.905  -2.711
  382    HB3  LEU  76           HB3      LEU  76  -3.117  -9.815  -4.191
  383    HG   LEU  76           HG       LEU  76  -3.829  -7.303  -2.610
  384   HD11  LEU  76          HD11      LEU  76  -1.593  -7.466  -1.614
  385   HD12  LEU  76          HD12      LEU  76  -1.380  -9.079  -2.344
  386   HD13  LEU  76          HD13      LEU  76  -2.631  -8.809  -1.109
  387   HD21  LEU  76          HD21      LEU  76  -1.821  -6.418  -3.774
  388   HD22  LEU  76          HD22      LEU  76  -3.054  -6.931  -4.930
  389   HD23  LEU  76          HD23      LEU  76  -1.635  -7.961  -4.630
  390    H    ASN  77           H        ASN  77  -6.963 -10.590  -3.641
  391    HA   ASN  77           HA       ASN  77  -6.234 -12.881  -5.200
  392    HB2  ASN  77           HB2      ASN  77  -8.523 -12.053  -3.393
  393    HB3  ASN  77           HB3      ASN  77  -8.702 -13.505  -4.351
  394   HD21  ASN  77          HD21      ASN  77  -8.832 -13.765  -1.699
  395   HD22  ASN  77          HD22      ASN  77  -7.421 -14.740  -1.235
  396    H    THR  78           H        THR  78  -7.702 -10.125  -6.530
  397    HA   THR  78           HA       THR  78  -8.972 -11.661  -8.683
  398    HB   THR  78           HB       THR  78 -11.020 -10.318  -8.517
  399    HG1  THR  78           HG1      THR  78 -11.201  -8.713  -7.295
  400   HG21  THR  78          HG21      THR  78 -10.521 -11.502  -5.752
  401   HG22  THR  78          HG22      THR  78 -10.984 -12.452  -7.186
  402   HG23  THR  78          HG23      THR  78 -12.079 -11.214  -6.543
  403    HA   PRO  79           HA       PRO  79  -7.417  -8.203 -11.070
  404    HB2  PRO  79           HB2      PRO  79  -9.029  -8.328 -13.282
  405    HB3  PRO  79           HB3      PRO  79  -7.827  -9.599 -12.906
  406    HG2  PRO  79           HG2      PRO  79 -10.751  -9.568 -12.139
  407    HG3  PRO  79           HG3      PRO  79  -9.890 -10.856 -13.068
  408    HD2  PRO  79           HD2      PRO  79 -10.331 -11.003 -10.427
  409    HD3  PRO  79           HD3      PRO  79  -8.740 -11.512 -11.049
  410    H    LEU  80           H        LEU  80  -8.019  -6.098 -11.929
  411    HA   LEU  80           HA       LEU  80 -10.296  -4.901 -10.467
  412    HB2  LEU  80           HB2      LEU  80  -9.070  -2.965 -10.290
  413    HB3  LEU  80           HB3      LEU  80  -7.894  -4.243 -10.074
  414    HG   LEU  80           HG       LEU  80  -8.277  -2.493 -12.550
  415   HD11  LEU  80          HD11      LEU  80  -5.994  -2.721 -10.557
  416   HD12  LEU  80          HD12      LEU  80  -7.178  -1.403 -10.635
  417   HD13  LEU  80          HD13      LEU  80  -6.042  -1.662 -11.974
  418   HD21  LEU  80          HD21      LEU  80  -6.085  -3.562 -13.305
  419   HD22  LEU  80          HD22      LEU  80  -7.519  -4.589 -13.447
  420   HD23  LEU  80          HD23      LEU  80  -6.378  -4.808 -12.109
  421    H    ALA  81           H        ALA  81 -11.567  -3.264 -11.233
  422    HA   ALA  81           HA       ALA  81 -12.311  -3.061 -14.036
  423    HB1  ALA  81           HB1      ALA  81 -13.025  -1.456 -11.536
  424    HB2  ALA  81           HB2      ALA  81 -13.932  -2.830 -12.209
  425    HB3  ALA  81           HB3      ALA  81 -13.832  -1.304 -13.106
  426    H    GLU  82           H        GLU  82 -12.145  -1.163 -15.390
  427    HA   GLU  82           HA       GLU  82  -9.732   0.350 -15.318
  428    HB2  GLU  82           HB2      GLU  82 -12.352   0.938 -16.749
  429    HB3  GLU  82           HB3      GLU  82 -10.873   1.879 -16.934
  430    HG2  GLU  82           HG2      GLU  82  -9.719  -0.328 -17.583
  431    HG3  GLU  82           HG3      GLU  82 -11.349  -0.995 -17.767
  432    H    ASP  83           H        ASP  83 -12.724   0.914 -13.611
  433    HA   ASP  83           HA       ASP  83 -12.577   3.709 -13.083
  434    HB2  ASP  83           HB2      ASP  83 -13.684   1.277 -11.651
  435    HB3  ASP  83           HB3      ASP  83 -13.663   2.831 -10.824
  436    H    ARG  84           H        ARG  84 -11.015   0.951 -11.518
  437    HA   ARG  84           HA       ARG  84  -9.632   2.516  -9.467
  438    HB2  ARG  84           HB2      ARG  84  -9.394  -0.379 -10.426
  439    HB3  ARG  84           HB3      ARG  84  -8.448   0.327  -9.114
  440    HG2  ARG  84           HG2      ARG  84 -10.539   0.933  -7.926
  441    HG3  ARG  84           HG3      ARG  84 -11.487   0.153  -9.193
  442    HD2  ARG  84           HD2      ARG  84 -10.531  -2.039  -8.623
  443    HD3  ARG  84           HD3      ARG  84  -9.419  -1.284  -7.476
  444    HE   ARG  84           HE       ARG  84 -11.068  -1.245  -5.892
  445   HH11  ARG  84          HH11      ARG  84 -12.733  -2.144  -8.850
  446   HH12  ARG  84          HH12      ARG  84 -14.290  -1.653  -8.236
  447   HH21  ARG  84          HH21      ARG  84 -13.195  -1.140  -5.039
  448   HH22  ARG  84          HH22      ARG  84 -14.506  -1.593  -6.114
  449    H    LYS  85           H        LYS  85  -8.785   1.217 -12.673
  450    HA   LYS  85           HA       LYS  85  -5.993   2.059 -12.682
  451    HB2  LYS  85           HB2      LYS  85  -7.944   1.646 -14.977
  452    HB3  LYS  85           HB3      LYS  85  -6.227   2.004 -15.153
  453    HG2  LYS  85           HG2      LYS  85  -5.670  -0.042 -13.834
  454    HG3  LYS  85           HG3      LYS  85  -7.397  -0.470 -13.831
  455    HD2  LYS  85           HD2      LYS  85  -7.403  -0.546 -16.294
  456    HD3  LYS  85           HD3      LYS  85  -5.699  -0.023 -16.332
  457    HE2  LYS  85           HE2      LYS  85  -5.019  -2.035 -15.090
  458    HE3  LYS  85           HE3      LYS  85  -6.712  -2.546 -14.964
  459    HZ1  LYS  85           HZ1      LYS  85  -5.519  -3.667 -16.716
  460    HZ2  LYS  85           HZ2      LYS  85  -5.260  -2.262 -17.534
  461    HZ3  LYS  85           HZ3      LYS  85  -6.800  -2.825 -17.318
  462    H    ASN  86           H        ASN  86  -8.827   3.879 -12.716
  463    HA   ASN  86           HA       ASN  86  -7.434   6.253 -13.888
  464    HB2  ASN  86           HB2      ASN  86 -10.347   5.377 -13.951
  465    HB3  ASN  86           HB3      ASN  86  -9.746   6.909 -14.580
  466   HD21  ASN  86          HD21      ASN  86 -11.090   5.354 -16.341
  467   HD22  ASN  86          HD22      ASN  86  -9.910   4.660 -17.472
  468    H    VAL  87           H        VAL  87  -8.771   5.183 -10.854
  469    HA   VAL  87           HA       VAL  87  -9.877   7.726 -10.057
  470    HB   VAL  87           HB       VAL  87 -10.507   5.506  -9.090
  471   HG11  VAL  87          HG11      VAL  87  -9.259   4.472  -7.350
  472   HG12  VAL  87          HG12      VAL  87  -8.032   5.753  -7.362
  473   HG13  VAL  87          HG13      VAL  87  -8.183   4.656  -8.749
  474   HG21  VAL  87          HG21      VAL  87 -11.175   7.606  -8.023
  475   HG22  VAL  87          HG22      VAL  87  -9.672   7.614  -7.066
  476   HG23  VAL  87          HG23      VAL  87 -10.876   6.330  -6.832
  477    H    GLU  88           H        GLU  88  -8.941   9.487  -9.224
  478    HA   GLU  88           HA       GLU  88  -6.041   9.707  -9.276
  479    HB2  GLU  88           HB2      GLU  88  -8.198  11.664  -8.369
  480    HB3  GLU  88           HB3      GLU  88  -6.467  12.020  -8.479
  481    HG2  GLU  88           HG2      GLU  88  -6.565  11.335 -10.921
  482    HG3  GLU  88           HG3      GLU  88  -8.319  11.251 -10.777
  483    H    LEU  89           H        LEU  89  -4.681   9.142  -7.743
  484    HA   LEU  89           HA       LEU  89  -5.380   8.646  -4.970
  485    HB2  LEU  89           HB2      LEU  89  -2.729   9.169  -6.377
  486    HB3  LEU  89           HB3      LEU  89  -2.855   8.645  -4.713
  487    HG   LEU  89           HG       LEU  89  -3.847   7.036  -7.118
  488   HD11  LEU  89          HD11      LEU  89  -1.370   6.662  -5.390
  489   HD12  LEU  89          HD12      LEU  89  -1.387   7.272  -7.055
  490   HD13  LEU  89          HD13      LEU  89  -1.904   5.613  -6.726
  491   HD21  LEU  89          HD21      LEU  89  -3.555   6.222  -4.194
  492   HD22  LEU  89          HD22      LEU  89  -3.969   5.135  -5.536
  493   HD23  LEU  89          HD23      LEU  89  -5.087   6.414  -5.078
  494    H    LEU  90           H        LEU  90  -5.318  10.025  -3.229
  495    HA   LEU  90           HA       LEU  90  -5.481  12.853  -3.570
  496    HB2  LEU  90           HB2      LEU  90  -5.234  10.967  -1.211
  497    HB3  LEU  90           HB3      LEU  90  -5.223  12.704  -0.950
  498    HG   LEU  90           HG       LEU  90  -7.456  11.448  -2.576
  499   HD11  LEU  90          HD11      LEU  90  -7.335  11.740   0.453
  500   HD12  LEU  90          HD12      LEU  90  -7.481  10.228  -0.484
  501   HD13  LEU  90          HD13      LEU  90  -8.804  11.393  -0.490
  502   HD21  LEU  90          HD21      LEU  90  -7.197  13.930  -2.559
  503   HD22  LEU  90          HD22      LEU  90  -7.339  13.905  -0.790
  504   HD23  LEU  90          HD23      LEU  90  -8.706  13.394  -1.804
  505    H    GLY  91           H        GLY  91  -2.672  10.872  -3.119
  506    HA2  GLY  91           HA2      GLY  91  -0.840  13.069  -3.496
  507    HA3  GLY  91           HA3      GLY  91  -0.866  12.517  -1.824
  508    H    LYS  92           H        LYS  92   1.457  12.203  -2.634
  509    HA   LYS  92           HA       LYS  92   2.114   9.903  -4.211
  510    HB2  LYS  92           HB2      LYS  92   3.482  12.101  -3.385
  511    HB3  LYS  92           HB3      LYS  92   4.064  10.958  -2.204
  512    HG2  LYS  92           HG2      LYS  92   5.585  10.953  -4.024
  513    HG3  LYS  92           HG3      LYS  92   4.640   9.465  -4.239
  514    HD2  LYS  92           HD2      LYS  92   3.229  10.650  -5.920
  515    HD3  LYS  92           HD3      LYS  92   4.228  12.098  -5.697
  516    HE2  LYS  92           HE2      LYS  92   6.197  10.891  -6.522
  517    HE3  LYS  92           HE3      LYS  92   5.257   9.391  -6.652
  518    HZ1  LYS  92           HZ1      LYS  92   5.467  10.610  -8.787
  519    HZ2  LYS  92           HZ2      LYS  92   4.625  11.874  -8.150
  520    HZ3  LYS  92           HZ3      LYS  92   3.916  10.377  -8.352
  521    H    MET  93           H        MET  93   3.042   7.923  -3.673
  522    HA   MET  93           HA       MET  93   1.637   6.479  -1.633
  523    HB2  MET  93           HB2      MET  93   2.271   5.630  -3.924
  524    HB3  MET  93           HB3      MET  93   3.935   5.489  -3.351
  525    HG2  MET  93           HG2      MET  93   2.852   4.063  -1.389
  526    HG3  MET  93           HG3      MET  93   1.445   4.031  -2.428
  527    HE1  MET  93           HE1      MET  93   5.041   2.789  -1.712
  528    HE2  MET  93           HE2      MET  93   5.396   3.658  -3.226
  529    HE3  MET  93           HE3      MET  93   5.485   1.887  -3.179
  530    H    TYR  94           H        TYR  94   2.616   7.980   0.115
  531    HA   TYR  94           HA       TYR  94   5.091   7.658   1.303
  532    HB2  TYR  94           HB2      TYR  94   3.692   9.245   2.215
  533    HB3  TYR  94           HB3      TYR  94   2.310   8.194   2.266
  534    HD1  TYR  94           HD1      TYR  94   2.004   6.532   4.096
  535    HD2  TYR  94           HD2      TYR  94   5.231   9.399   4.111
  536    HE1  TYR  94           HE1      TYR  94   2.316   6.177   6.546
  537    HE2  TYR  94           HE2      TYR  94   5.494   9.066   6.557
  538    HH   TYR  94           HH       TYR  94   4.713   8.056   8.429
  539    H    LYS  95           H        LYS  95   2.326   5.366   1.910
  540    HA   LYS  95           HA       LYS  95   4.311   3.205   2.318
  541    HB2  LYS  95           HB2      LYS  95   2.333   4.090   4.462
  542    HB3  LYS  95           HB3      LYS  95   2.958   2.445   4.391
  543    HG2  LYS  95           HG2      LYS  95   5.280   3.324   4.499
  544    HG3  LYS  95           HG3      LYS  95   4.606   4.949   4.809
  545    HD2  LYS  95           HD2      LYS  95   3.319   3.823   6.742
  546    HD3  LYS  95           HD3      LYS  95   4.400   2.435   6.466
  547    HE2  LYS  95           HE2      LYS  95   6.361   3.827   6.954
  548    HE3  LYS  95           HE3      LYS  95   5.341   5.268   7.082
  549    HZ1  LYS  95           HZ1      LYS  95   5.157   2.905   8.874
  550    HZ2  LYS  95           HZ2      LYS  95   4.211   4.248   8.961
  551    HZ3  LYS  95           HZ3      LYS  95   5.828   4.352   9.273
  552    H    THR  96           H        THR  96   3.443   1.096   2.340
  553    HA   THR  96           HA       THR  96   0.515   0.773   1.954
  554    HB   THR  96           HB       THR  96   2.502  -0.881   0.348
  555    HG1  THR  96           HG1      THR  96   2.129   1.352  -0.088
  556   HG21  THR  96          HG21      THR  96   0.476  -1.632  -0.880
  557   HG22  THR  96          HG22      THR  96  -0.551  -0.717   0.238
  558   HG23  THR  96          HG23      THR  96   0.381  -2.109   0.813
  559    H    TYR  97           H        TYR  97  -0.308  -0.875   3.073
  560    HA   TYR  97           HA       TYR  97   1.499  -2.675   4.650
  561    HB2  TYR  97           HB2      TYR  97  -1.118  -1.274   5.307
  562    HB3  TYR  97           HB3      TYR  97  -0.527  -2.590   6.243
  563    HD1  TYR  97           HD1      TYR  97   1.735  -2.360   7.391
  564    HD2  TYR  97           HD2      TYR  97  -0.222   0.989   5.519
  565    HE1  TYR  97           HE1      TYR  97   3.072  -0.812   8.781
  566    HE2  TYR  97           HE2      TYR  97   1.117   2.547   6.948
  567    HH   TYR  97           HH       TYR  97   3.391   1.302   9.404
  568    H    PHE  98           H        PHE  98   1.002  -4.850   4.654
  569    HA   PHE  98           HA       PHE  98  -1.113  -5.818   2.769
  570    HB2  PHE  98           HB2      PHE  98   1.798  -6.597   3.118
  571    HB3  PHE  98           HB3      PHE  98   0.650  -7.553   2.220
  572    HD1  PHE  98           HD1      PHE  98   2.437  -4.265   2.229
  573    HD2  PHE  98           HD2      PHE  98   0.050  -7.080   0.011
  574    HE1  PHE  98           HE1      PHE  98   2.966  -3.064   0.105
  575    HE2  PHE  98           HE2      PHE  98   0.607  -5.890  -2.102
  576    HZ   PHE  98           HZ       PHE  98   2.092  -3.917  -2.054
  577    H    PHE  99           H        PHE  99  -2.032  -7.763   3.117
  578    HA   PHE  99           HA       PHE  99  -1.857  -8.915   5.881
  579    HB2  PHE  99           HB2      PHE  99  -4.331  -8.230   4.241
  580    HB3  PHE  99           HB3      PHE  99  -4.305  -8.752   5.903
  581    HD1  PHE  99           HD1      PHE  99  -3.769  -5.959   3.595
  582    HD2  PHE  99           HD2      PHE  99  -3.709  -7.125   7.732
  583    HE1  PHE  99           HE1      PHE  99  -3.612  -3.608   4.239
  584    HE2  PHE  99           HE2      PHE  99  -3.571  -4.727   8.384
  585    HZ   PHE  99           HZ       PHE  99  -3.434  -2.966   6.651
  586    H    LYS 100           H        LYS 100  -1.821 -11.127   5.933
  587    HA   LYS 100           HA       LYS 100  -1.974 -12.689   3.471
  588    HB2  LYS 100           HB2      LYS 100  -1.893 -13.712   6.321
  589    HB3  LYS 100           HB3      LYS 100  -1.876 -14.682   4.847
  590    HG2  LYS 100           HG2      LYS 100   0.263 -14.717   5.371
  591    HG3  LYS 100           HG3      LYS 100   0.205 -13.466   4.128
  592    HD2  LYS 100           HD2      LYS 100   0.596 -11.730   5.674
  593    HD3  LYS 100           HD3      LYS 100   0.117 -12.718   7.058
  594    HE2  LYS 100           HE2      LYS 100   2.582 -13.313   5.386
  595    HE3  LYS 100           HE3      LYS 100   2.603 -12.337   6.859
  596    HZ1  LYS 100           HZ1      LYS 100   1.837 -15.190   6.680
  597    HZ2  LYS 100           HZ2      LYS 100   1.667 -14.270   8.052
  598    HZ3  LYS 100           HZ3      LYS 100   3.153 -14.531   7.407
  599    H    LYS 101           H        LYS 101  -3.354 -14.560   3.261
  600    HA   LYS 101           HA       LYS 101  -6.158 -14.215   3.291
  601    HB2  LYS 101           HB2      LYS 101  -6.249 -16.620   2.945
  602    HB3  LYS 101           HB3      LYS 101  -5.040 -15.836   1.947
  603    HG2  LYS 101           HG2      LYS 101  -3.323 -16.598   3.775
  604    HG3  LYS 101           HG3      LYS 101  -4.603 -17.685   4.310
  605    HD2  LYS 101           HD2      LYS 101  -3.339 -17.573   1.541
  606    HD3  LYS 101           HD3      LYS 101  -3.008 -18.776   2.794
  607    HE2  LYS 101           HE2      LYS 101  -5.347 -19.583   2.666
  608    HE3  LYS 101           HE3      LYS 101  -5.708 -18.358   1.442
  609    HZ1  LYS 101           HZ1      LYS 101  -3.757 -20.583   1.110
  610    HZ2  LYS 101           HZ2      LYS 101  -4.019 -19.406   0.010
  611    HZ3  LYS 101           HZ3      LYS 101  -5.217 -20.468   0.379
  612    H    GLY 102           H        GLY 102  -7.396 -13.671   4.903
  613    HA2  GLY 102           HA2      GLY 102  -8.550 -13.881   6.902
  614    HA3  GLY 102           HA3      GLY 102  -7.528 -15.232   7.375
  615    H    GLU 103           H        GLU 103  -6.766 -11.710   6.744
  616    HA   GLU 103           HA       GLU 103  -5.849 -11.477   9.586
  617    HB2  GLU 103           HB2      GLU 103  -4.385 -10.501   7.111
  618    HB3  GLU 103           HB3      GLU 103  -4.011  -9.989   8.756
  619    HG2  GLU 103           HG2      GLU 103  -3.790 -12.579   9.188
  620    HG3  GLU 103           HG3      GLU 103  -3.559 -12.654   7.448
  621    H    SER 104           H        SER 104  -5.674  -9.357  10.422
  622    HA   SER 104           HA       SER 104  -6.915  -7.071   9.001
  623    HB2  SER 104           HB2      SER 104  -8.726  -8.318  10.177
  624    HB3  SER 104           HB3      SER 104  -7.931  -7.918  11.714
  625    HG   SER 104           HG       SER 104  -9.701  -6.565  10.645
  626    H    LYS 105           H        LYS 105  -4.237  -7.974  10.200
  627    HA   LYS 105           HA       LYS 105  -3.463  -5.215  10.754
  628    HB2  LYS 105           HB2      LYS 105  -3.848  -6.058  13.029
  629    HB3  LYS 105           HB3      LYS 105  -2.799  -7.453  12.692
  630    HG2  LYS 105           HG2      LYS 105  -0.844  -6.065  12.611
  631    HG3  LYS 105           HG3      LYS 105  -1.784  -4.580  12.600
  632    HD2  LYS 105           HD2      LYS 105  -0.923  -4.913  14.846
  633    HD3  LYS 105           HD3      LYS 105  -2.672  -5.158  14.880
  634    HE2  LYS 105           HE2      LYS 105  -2.184  -7.659  14.581
  635    HE3  LYS 105           HE3      LYS 105  -0.486  -7.258  14.875
  636    HZ1  LYS 105           HZ1      LYS 105  -1.585  -7.918  16.911
  637    HZ2  LYS 105           HZ2      LYS 105  -2.774  -6.815  16.719
  638    HZ3  LYS 105           HZ3      LYS 105  -1.243  -6.295  17.030
  639    H    SER 106           H        SER 106  -1.530  -4.846   9.738
  640    HA   SER 106           HA       SER 106  -0.905  -6.730   7.732
  641    HB2  SER 106           HB2      SER 106   0.812  -5.295   6.945
  642    HB3  SER 106           HB3      SER 106  -0.492  -4.285   7.574
  643    HG   SER 106           HG       SER 106   2.076  -4.824   8.782
  644    H    SER 107           H        SER 107   0.921  -7.792   7.152
  645    HA   SER 107           HA       SER 107   2.902  -8.518   9.295
  646    HB2  SER 107           HB2      SER 107   1.853 -10.266   7.025
  647    HB3  SER 107           HB3      SER 107   3.015 -10.748   8.272
  648    HG   SER 107           HG       SER 107   0.217 -10.528   8.423
  649    H    TYR 108           H        TYR 108   2.453  -7.119   6.261
  650    HA   TYR 108           HA       TYR 108   5.346  -6.928   5.807
  651    HB2  TYR 108           HB2      TYR 108   4.786  -8.853   4.474
  652    HB3  TYR 108           HB3      TYR 108   3.363  -8.068   3.820
  653    HD1  TYR 108           HD1      TYR 108   7.088  -7.623   3.970
  654    HD2  TYR 108           HD2      TYR 108   3.505  -7.260   1.627
  655    HE1  TYR 108           HE1      TYR 108   8.458  -6.996   1.966
  656    HE2  TYR 108           HE2      TYR 108   4.849  -6.646  -0.352
  657    HH   TYR 108           HH       TYR 108   7.007  -6.441  -1.244
  658    H    VAL 109           H        VAL 109   5.887  -5.022   4.973
  659    HA   VAL 109           HA       VAL 109   3.883  -3.120   3.917
  660    HB   VAL 109           HB       VAL 109   3.575  -2.495   5.972
  661   HG11  VAL 109          HG11      VAL 109   6.256  -3.431   6.741
  662   HG12  VAL 109          HG12      VAL 109   4.669  -3.943   7.318
  663   HG13  VAL 109          HG13      VAL 109   5.321  -2.397   7.860
  664   HG21  VAL 109          HG21      VAL 109   4.286  -0.406   5.149
  665   HG22  VAL 109          HG22      VAL 109   5.965  -0.748   5.629
  666   HG23  VAL 109          HG23      VAL 109   4.716  -0.557   6.851
  667    H    ILE 110           H        ILE 110   4.722  -1.224   3.017
  668    HA   ILE 110           HA       ILE 110   7.580  -1.406   2.156
  669    HB   ILE 110           HB       ILE 110   5.205  -0.955   0.353
  670   HG12  ILE 110          HG12      ILE 110   6.595  -3.547   1.004
  671   HG13  ILE 110          HG13      ILE 110   4.897  -3.212   0.981
  672   HG21  ILE 110          HG21      ILE 110   6.871  -1.259  -1.454
  673   HG22  ILE 110          HG22      ILE 110   8.128  -1.601  -0.257
  674   HG23  ILE 110          HG23      ILE 110   7.389   0.019  -0.384
  675   HD11  ILE 110          HD11      ILE 110   5.335  -4.588  -0.888
  676   HD12  ILE 110          HD12      ILE 110   6.736  -3.642  -1.382
  677   HD13  ILE 110          HD13      ILE 110   5.084  -2.971  -1.561
  678    H    ASN 111           H        ASN 111   8.595   0.462   2.161
  679    HA   ASN 111           HA       ASN 111   7.118   2.979   2.707
  680    HB2  ASN 111           HB2      ASN 111  10.117   2.396   2.597
  681    HB3  ASN 111           HB3      ASN 111   9.351   3.862   3.218
  682   HD21  ASN 111          HD21      ASN 111   7.711   3.430   5.056
  683   HD22  ASN 111          HD22      ASN 111   8.095   2.098   6.175
  684    H    GLY 112           H        GLY 112   6.965   4.618   1.239
  685    HA2  GLY 112           HA2      GLY 112   8.409   4.408  -1.382
  686    HA3  GLY 112           HA3      GLY 112   6.652   4.474  -1.342
  687    HA   PRO 113           HA       PRO 113   8.529   8.784  -1.550
  688    HB2  PRO 113           HB2      PRO 113   7.358   9.669  -3.828
  689    HB3  PRO 113           HB3      PRO 113   8.795   8.616  -3.863
  690    HG2  PRO 113           HG2      PRO 113   5.887   7.732  -4.098
  691    HG3  PRO 113           HG3      PRO 113   7.215   7.400  -5.224
  692    HD2  PRO 113           HD2      PRO 113   6.489   5.660  -3.254
  693    HD3  PRO 113           HD3      PRO 113   8.220   5.890  -3.639
  694    H    GLY 114           H        GLY 114   7.631  10.095  -0.209
  695    HA2  GLY 114           HA2      GLY 114   5.506  11.676  -0.192
  696    HA3  GLY 114           HA3      GLY 114   4.754  10.169   0.361
  697    H    LYS 115           H        LYS 115   4.930  12.487   1.929
  698    HA   LYS 115           HA       LYS 115   6.903  11.794   4.072
  699    HB2  LYS 115           HB2      LYS 115   7.637  13.463   2.410
  700    HB3  LYS 115           HB3      LYS 115   6.250  14.484   2.820
  701    HG2  LYS 115           HG2      LYS 115   7.081  14.820   5.088
  702    HG3  LYS 115           HG3      LYS 115   8.397  13.649   4.818
  703    HD2  LYS 115           HD2      LYS 115   9.308  15.053   3.026
  704    HD3  LYS 115           HD3      LYS 115   7.990  16.227   3.234
  705    HE2  LYS 115           HE2      LYS 115   8.764  16.814   5.441
  706    HE3  LYS 115           HE3      LYS 115   9.938  15.489   5.447
  707    HZ1  LYS 115           HZ1      LYS 115  10.020  17.715   3.496
  708    HZ2  LYS 115           HZ2      LYS 115  11.138  16.539   3.681
  709    HZ3  LYS 115           HZ3      LYS 115  10.945  17.658   4.876
  710    H    THR 116           H        THR 116   3.730  13.317   3.371
  711    HA   THR 116           HA       THR 116   3.075  13.008   6.271
  712    HB   THR 116           HB       THR 116   3.860  15.249   6.085
  713    HG1  THR 116           HG1      THR 116   2.085  16.185   6.932
  714   HG21  THR 116          HG21      THR 116   1.644  15.885   4.097
  715   HG22  THR 116          HG22      THR 116   3.349  15.681   3.630
  716   HG23  THR 116          HG23      THR 116   2.883  16.973   4.744
  717    H    ASN 117           H        ASN 117   1.343  11.811   6.506
  718    HA   ASN 117           HA       ASN 117  -0.769  11.564   4.512
  719    HB2  ASN 117           HB2      ASN 117  -0.713  10.743   7.447
  720    HB3  ASN 117           HB3      ASN 117  -1.833  10.189   6.191
  721   HD21  ASN 117          HD21      ASN 117  -0.723   9.255   4.167
  722   HD22  ASN 117          HD22      ASN 117   0.618   8.182   4.519
  723    H    GLU 118           H        GLU 118   0.038  14.145   6.501
  724    HA   GLU 118           HA       GLU 118  -2.607  14.589   7.684
  725    HB2  GLU 118           HB2      GLU 118  -0.072  16.173   8.196
  726    HB3  GLU 118           HB3      GLU 118  -1.482  15.964   9.234
  727    HG2  GLU 118           HG2      GLU 118  -0.871  13.466   9.325
  728    HG3  GLU 118           HG3      GLU 118   0.666  13.896   8.584
  729    H    TYR 119           H        TYR 119  -1.681  15.345   4.789
  730    HA   TYR 119           HA       TYR 119  -2.356  16.755   3.196
  731    HB2  TYR 119           HB2      TYR 119  -4.501  16.979   4.096
  732    HB3  TYR 119           HB3      TYR 119  -3.983  18.119   5.314
  733    HD1  TYR 119           HD1      TYR 119  -3.184  18.199   1.612
  734    HD2  TYR 119           HD2      TYR 119  -5.303  19.969   4.932
  735    HE1  TYR 119           HE1      TYR 119  -3.856  20.100   0.188
  736    HE2  TYR 119           HE2      TYR 119  -6.014  21.848   3.477
  737    HH   TYR 119           HH       TYR 119  -5.936  22.760   1.379
  738    H    ALA 120           H        ALA 120  -0.601  17.429   2.369
  739    HA   ALA 120           HA       ALA 120   1.178  19.442   3.460
  740    HB1  ALA 120           HB1      ALA 120   1.976  17.611   2.026
  741    HB2  ALA 120           HB2      ALA 120   2.276  19.181   1.261
  742    HB3  ALA 120           HB3      ALA 120   0.931  18.162   0.700
  743    H    TYR 121           H        TYR 121  -0.453  21.030   3.929
  744    HA   TYR 121           HA       TYR 121  -1.981  22.490   2.024
  745    HB2  TYR 121           HB2      TYR 121  -2.397  22.511   4.446
  746    HB3  TYR 121           HB3      TYR 121  -0.843  23.293   4.725
  747    HD1  TYR 121           HD1      TYR 121  -4.061  23.720   2.862
  748    HD2  TYR 121           HD2      TYR 121  -0.712  25.685   4.731
  749    HE1  TYR 121           HE1      TYR 121  -5.105  25.938   2.433
  750    HE2  TYR 121           HE2      TYR 121  -1.752  27.898   4.279
  751    HH   TYR 121           HH       TYR 121  -3.419  28.983   3.117
  752    H1   ACE   6           H1       ACE   6  23.005  -4.322 -11.108
  753    H2   ACE   6           H2       ACE   6  21.436  -5.146 -11.208
  754    H3   ACE   6           H3       ACE   6  21.751  -3.705 -12.204
  755    H    THR   7           H        THR   7  19.571  -3.368 -11.005
  756    HA   THR   7           HA       THR   7  19.786  -2.187  -8.315
  757    HB   THR   7           HB       THR   7  20.742  -0.425  -9.621
  758    HG1  THR   7           HG1      THR   7  19.467   1.175  -9.023
  759   HG21  THR   7          HG21      THR   7  18.242  -0.461 -11.369
  760   HG22  THR   7          HG22      THR   7  19.892  -0.863 -11.875
  761   HG23  THR   7          HG23      THR   7  19.509   0.786 -11.388
  762    H    THR   8           H        THR   8  17.812  -1.840  -7.297
  763    HA   THR   8           HA       THR   8  15.235  -2.070  -8.722
  764    HB   THR   8           HB       THR   8  16.084  -3.980  -6.508
  765    HG1  THR   8           HG1      THR   8  15.270  -4.408  -9.174
  766   HG21  THR   8          HG21      THR   8  13.904  -5.112  -6.939
  767   HG22  THR   8          HG22      THR   8  13.713  -3.537  -6.194
  768   HG23  THR   8          HG23      THR   8  13.395  -3.730  -7.920
  769    HA   PRO   9           HA       PRO   9  14.058   0.846  -5.396
  770    HB2  PRO   9           HB2      PRO   9  11.363  -0.341  -5.991
  771    HB3  PRO   9           HB3      PRO   9  11.804   1.372  -5.771
  772    HG2  PRO   9           HG2      PRO   9  11.419   0.383  -8.251
  773    HG3  PRO   9           HG3      PRO   9  12.809   1.473  -7.929
  774    HD2  PRO   9           HD2      PRO   9  12.791  -1.540  -8.139
  775    HD3  PRO   9           HD3      PRO   9  13.952  -0.357  -8.813
  776    H    ASP  10           H        ASP  10  12.469   0.776  -3.439
  777    HA   ASP  10           HA       ASP  10  13.352  -1.402  -1.717
  778    HB2  ASP  10           HB2      ASP  10  11.406   0.829  -1.052
  779    HB3  ASP  10           HB3      ASP  10  12.264  -0.217   0.080
  780    H2   TYS  11           H2       TYS  11  12.452  -3.326  -1.986
  781    HA   TYS  11           HA       TYS  11   9.551  -3.695  -2.221
  782    HB2  TYS  11           HB2      TYS  11  11.544  -5.684  -3.268
  783    HB3  TYS  11           HB3      TYS  11   9.785  -5.820  -3.230
  784    HD1  TYS  11           HD1      TYS  11  11.234  -6.078  -5.776
  785    HD2  TYS  11           HD2      TYS  11   9.411  -2.692  -3.861
  786    HE1  TYS  11           HE1      TYS  11  10.873  -5.009  -7.918
  787    HE2  TYS  11           HE2      TYS  11   9.425  -1.530  -5.777
  788    H    GLY  12           H        GLY  12   9.964  -2.929  -0.448
  789    HA2  GLY  12           HA2      GLY  12   8.895  -2.978   1.544
  790    HA3  GLY  12           HA3      GLY  12   8.369  -4.557   1.028
  791    H    HIS  13           H        HIS  13   8.292  -4.488   3.586
  792    HA   HIS  13           HA       HIS  13  10.459  -6.271   4.475
  793    HB2  HIS  13           HB2      HIS  13  10.807  -4.961   6.508
  794    HB3  HIS  13           HB3      HIS  13  11.427  -4.136   5.078
  795    HD1  HIS  13           HD1      HIS  13  10.015  -1.932   4.196
  796    HD2  HIS  13           HD2      HIS  13   8.578  -3.794   7.725
  797    HE1  HIS  13           HE1      HIS  13   8.065  -0.496   5.099
  798    HE2  HIS  13           HE2      HIS  13   7.549  -1.379   7.423
  799    H2   TYS  14           H2       TYS  14   9.914  -7.481   6.293
  800    HA   TYS  14           HA       TYS  14   7.001  -7.596   6.864
  801    HB2  TYS  14           HB2      TYS  14   9.274  -9.592   7.122
  802    HB3  TYS  14           HB3      TYS  14   7.744  -9.826   7.907
  803    HD1  TYS  14           HD1      TYS  14   9.117  -9.283   4.340
  804    HD2  TYS  14           HD2      TYS  14   5.927 -10.809   6.857
  805    HE1  TYS  14           HE1      TYS  14   8.487 -10.802   2.627
  806    HE2  TYS  14           HE2      TYS  14   5.216 -12.244   5.044
  807    H    ASP  15           H        ASP  15   6.192  -6.714   8.511
  808    HA   ASP  15           HA       ASP  15   8.040  -5.520  10.472
  809    HB2  ASP  15           HB2      ASP  15   6.578  -3.821  10.646
  810    HB3  ASP  15           HB3      ASP  15   6.318  -4.308   8.999
  811    H    ASP  16           H        ASP  16   7.185  -5.042  12.668
  812    HA   ASP  16           HA       ASP  16   5.501  -7.178  13.863
  813    HB2  ASP  16           HB2      ASP  16   8.030  -6.095  15.169
  814    HB3  ASP  16           HB3      ASP  16   6.969  -7.330  15.816
  815    H    LYS  17           H        LYS  17   6.524  -3.848  13.812
  816    HA   LYS  17           HA       LYS  17   4.453  -3.115  15.843
  817    HB2  LYS  17           HB2      LYS  17   5.957  -1.458  16.837
  818    HB3  LYS  17           HB3      LYS  17   6.496  -3.111  17.105
  819    HG2  LYS  17           HG2      LYS  17   8.294  -2.927  15.579
  820    HG3  LYS  17           HG3      LYS  17   7.660  -1.465  14.820
  821    HD2  LYS  17           HD2      LYS  17   8.597  -1.546  17.713
  822    HD3  LYS  17           HD3      LYS  17   9.649  -1.160  16.339
  823    HE2  LYS  17           HE2      LYS  17   8.102   0.697  15.695
  824    HE3  LYS  17           HE3      LYS  17   7.134   0.370  17.145
  825    HZ1  LYS  17           HZ1      LYS  17   9.997   1.187  17.143
  826    HZ2  LYS  17           HZ2      LYS  17   8.720   2.155  17.506
  827    HZ3  LYS  17           HZ3      LYS  17   9.089   0.908  18.492
  828    H    ASP  18           H        ASP  18   6.188  -2.195  12.930
  829    HA   ASP  18           HA       ASP  18   5.022   0.440  12.820
  830    HB2  ASP  18           HB2      ASP  18   7.128  -0.426  11.617
  831    HB3  ASP  18           HB3      ASP  18   6.019  -1.091  10.406
  832    H    THR  19           H        THR  19   3.661  -2.664  12.142
  833    HA   THR  19           HA       THR  19   2.008  -2.460  10.104
  834    HB   THR  19           HB       THR  19   2.007  -4.490  11.426
  835    HG1  THR  19           HG1      THR  19   0.417  -4.233  10.182
  836   HG21  THR  19          HG21      THR  19   0.399  -3.140  13.573
  837   HG22  THR  19          HG22      THR  19   2.146  -3.481  13.706
  838   HG23  THR  19          HG23      THR  19   1.024  -4.819  13.492
  839    H    LEU  20           H        LEU  20  -0.108  -2.101   9.567
  840    HA   LEU  20           HA       LEU  20  -1.622  -0.055  11.078
  841    HB2  LEU  20           HB2      LEU  20  -1.252   0.544   8.717
  842    HB3  LEU  20           HB3      LEU  20  -1.802  -1.066   8.220
  843    HG   LEU  20           HG       LEU  20  -4.049  -0.610   9.055
  844   HD11  LEU  20          HD11      LEU  20  -2.931   2.143   9.750
  845   HD12  LEU  20          HD12      LEU  20  -3.690   0.987  10.871
  846   HD13  LEU  20          HD13      LEU  20  -4.663   1.779   9.627
  847   HD21  LEU  20          HD21      LEU  20  -4.633   0.792   7.206
  848   HD22  LEU  20          HD22      LEU  20  -3.109  -0.004   6.789
  849   HD23  LEU  20          HD23      LEU  20  -3.079   1.677   7.314
  850    H    ASP  21           H        ASP  21  -2.702  -1.129  12.535
  851    HA   ASP  21           HA       ASP  21  -4.160  -3.614  12.157
  852    HB2  ASP  21           HB2      ASP  21  -5.311  -2.773  14.281
  853    HB3  ASP  21           HB3      ASP  21  -3.622  -3.235  14.355
  854    H    LEU  22           H        LEU  22  -6.030  -3.904  11.311
  855    HA   LEU  22           HA       LEU  22  -7.598  -1.681  10.143
  856    HB2  LEU  22           HB2      LEU  22  -6.636  -4.306   9.300
  857    HB3  LEU  22           HB3      LEU  22  -8.382  -4.247   9.148
  858    HG   LEU  22           HG       LEU  22  -8.169  -2.258   7.685
  859   HD11  LEU  22          HD11      LEU  22  -5.199  -2.733   8.200
  860   HD12  LEU  22          HD12      LEU  22  -6.122  -1.244   8.493
  861   HD13  LEU  22          HD13      LEU  22  -5.837  -1.782   6.828
  862   HD21  LEU  22          HD21      LEU  22  -6.314  -4.568   6.960
  863   HD22  LEU  22          HD22      LEU  22  -7.100  -3.457   5.812
  864   HD23  LEU  22          HD23      LEU  22  -8.088  -4.582   6.784
  865    H    ASN  23           H        ASN  23  -7.915  -3.229  12.982
  866    HA   ASN  23           HA       ASN  23 -10.884  -2.997  12.930
  867    HB2  ASN  23           HB2      ASN  23 -11.199  -5.184  13.910
  868    HB3  ASN  23           HB3      ASN  23 -10.316  -5.351  12.414
  869   HD21  ASN  23          HD21      ASN  23  -7.955  -5.801  12.566
  870   HD22  ASN  23          HD22      ASN  23  -7.361  -6.575  14.022
  871    H    THR  24           H        THR  24  -7.979  -3.134  15.059
  872    HA   THR  24           HA       THR  24  -9.208  -1.312  16.896
  873    HB   THR  24           HB       THR  24 -10.235  -3.611  17.457
  874    HG1  THR  24           HG1      THR  24  -9.025  -2.480  19.711
  875   HG21  THR  24          HG21      THR  24  -7.620  -4.066  18.933
  876   HG22  THR  24          HG22      THR  24  -8.138  -4.948  17.482
  877   HG23  THR  24          HG23      THR  24  -9.086  -5.064  18.974
  878    HA   PRO  25           HA       PRO  25  -4.774  -0.775  17.398
  879    HB2  PRO  25           HB2      PRO  25  -4.611   0.986  19.454
  880    HB3  PRO  25           HB3      PRO  25  -5.385   1.416  17.896
  881    HG2  PRO  25           HG2      PRO  25  -6.753   0.433  20.420
  882    HG3  PRO  25           HG3      PRO  25  -7.095   1.918  19.482
  883    HD2  PRO  25           HD2      PRO  25  -8.500  -0.368  19.071
  884    HD3  PRO  25           HD3      PRO  25  -8.055   0.658  17.687
  885    H    VAL  26           H        VAL  26  -3.007  -0.854  18.938
  886    HA   VAL  26           HA       VAL  26  -2.613  -3.083  20.611
  887    HB   VAL  26           HB       VAL  26  -1.509  -0.253  20.779
  888   HG11  VAL  26          HG11      VAL  26   0.423  -1.237  22.023
  889   HG12  VAL  26          HG12      VAL  26  -0.453  -2.776  22.150
  890   HG13  VAL  26          HG13      VAL  26  -1.069  -1.309  22.950
  891   HG21  VAL  26          HG21      VAL  26   0.454  -1.186  19.644
  892   HG22  VAL  26          HG22      VAL  26  -0.989  -1.500  18.673
  893   HG23  VAL  26          HG23      VAL  26  -0.274  -2.799  19.638
  894    H    ASP  27           H        ASP  27  -3.222  -3.671  22.622
  895    HA   ASP  27           HA       ASP  27  -4.629  -1.719  24.428
  896    HB2  ASP  27           HB2      ASP  27  -6.217  -3.134  23.072
  897    HB3  ASP  27           HB3      ASP  27  -5.529  -4.566  23.834
  898    H    LYS  28           H        LYS  28  -2.610  -4.581  24.151
  899    HA   LYS  28           HA       LYS  28  -2.065  -4.701  27.052
  900    HB2  LYS  28           HB2      LYS  28  -4.272  -5.856  26.513
  901    HB3  LYS  28           HB3      LYS  28  -3.394  -6.979  25.499
  902    HG2  LYS  28           HG2      LYS  28  -3.911  -7.959  27.670
  903    HG3  LYS  28           HG3      LYS  28  -2.170  -7.834  27.448
  904    HD2  LYS  28           HD2      LYS  28  -2.899  -7.248  29.754
  905    HD3  LYS  28           HD3      LYS  28  -2.022  -5.965  28.949
  906    HE2  LYS  28           HE2      LYS  28  -3.828  -4.965  30.158
  907    HE3  LYS  28           HE3      LYS  28  -4.179  -4.804  28.435
  908    HZ1  LYS  28           HZ1      LYS  28  -5.384  -6.834  30.255
  909    HZ2  LYS  28           HZ2      LYS  28  -6.113  -5.476  29.661
  910    HZ3  LYS  28           HZ3      LYS  28  -5.731  -6.672  28.642
  911    HN1  NH2  29           HN1      NH2  29   0.977  -6.227  26.239
  912    HN2  NH2  29           HN2      NH2  29   0.049  -5.205  27.320
  Start of MODEL   16
    1    H1   ASN  31           H1       ASN  31   5.497  16.456  -2.119
    2    H2   ASN  31           H2       ASN  31   5.199  17.807  -1.245
    3    H3   ASN  31           H3       ASN  31   4.300  16.442  -0.992
    4    HA   ASN  31           HA       ASN  31   3.210  16.558  -3.014
    5    HB2  ASN  31           HB2      ASN  31   3.359  19.339  -1.754
    6    HB3  ASN  31           HB3      ASN  31   2.186  18.855  -2.973
    7   HD21  ASN  31          HD21      ASN  31   0.368  19.183  -1.535
    8   HD22  ASN  31          HD22      ASN  31   0.051  18.004  -0.254
    9    H    SER  32           H        SER  32   4.324  16.125  -4.848
   10    HA   SER  32           HA       SER  32   5.294  18.419  -6.476
   11    HB2  SER  32           HB2      SER  32   7.072  16.095  -5.636
   12    HB3  SER  32           HB3      SER  32   7.394  17.099  -7.058
   13    HG   SER  32           HG       SER  32   7.297  17.922  -4.343
   14    H    GLY  33           H        GLY  33   4.191  15.047  -6.322
   15    HA2  GLY  33           HA2      GLY  33   3.263  15.079  -9.019
   16    HA3  GLY  33           HA3      GLY  33   4.789  14.199  -8.950
   17    H    LEU  34           H        LEU  34   2.681  12.909  -9.857
   18    HA   LEU  34           HA       LEU  34   1.740  11.030  -7.749
   19    HB2  LEU  34           HB2      LEU  34   0.000  12.567  -9.729
   20    HB3  LEU  34           HB3      LEU  34  -0.578  11.313  -8.637
   21    HG   LEU  34           HG       LEU  34   0.523  13.999  -7.719
   22   HD11  LEU  34          HD11      LEU  34  -2.338  13.013  -8.058
   23   HD12  LEU  34          HD12      LEU  34  -1.538  14.281  -9.005
   24   HD13  LEU  34          HD13      LEU  34  -1.850  14.534  -7.281
   25   HD21  LEU  34          HD21      LEU  34   0.688  12.198  -6.011
   26   HD22  LEU  34          HD22      LEU  34  -1.039  11.831  -6.243
   27   HD23  LEU  34          HD23      LEU  34  -0.539  13.405  -5.593
   28    HA   PRO  35           HA       PRO  35   1.847   8.155 -11.396
   29    HB2  PRO  35           HB2      PRO  35   0.035   6.527  -9.678
   30    HB3  PRO  35           HB3      PRO  35   1.544   6.047 -10.499
   31    HG2  PRO  35           HG2      PRO  35   1.434   6.407  -7.779
   32    HG3  PRO  35           HG3      PRO  35   2.877   6.849  -8.742
   33    HD2  PRO  35           HD2      PRO  35   0.707   8.674  -7.718
   34    HD3  PRO  35           HD3      PRO  35   2.485   8.895  -7.716
   35    H    THR  36           H        THR  36  -0.627   9.646  -9.608
   36    HA   THR  36           HA       THR  36  -2.651  10.439  -9.827
   37    HB   THR  36           HB       THR  36  -1.170  11.623 -11.463
   38    HG1  THR  36           HG1      THR  36  -2.610  13.066 -11.616
   39   HG21  THR  36          HG21      THR  36  -3.138  10.469 -13.474
   40   HG22  THR  36          HG22      THR  36  -1.366  10.272 -13.468
   41   HG23  THR  36          HG23      THR  36  -2.075  11.864 -13.746
   42    H    THR  37           H        THR  37  -2.340   7.444 -11.383
   43    HA   THR  37           HA       THR  37  -5.154   7.192 -10.605
   44    HB   THR  37           HB       THR  37  -5.681   5.567 -12.344
   45    HG1  THR  37           HG1      THR  37  -3.404   6.552 -13.713
   46   HG21  THR  37          HG21      THR  37  -6.429   7.895 -12.641
   47   HG22  THR  37          HG22      THR  37  -6.114   7.087 -14.184
   48   HG23  THR  37          HG23      THR  37  -4.948   8.262 -13.547
   49    H    LEU  38           H        LEU  38  -5.614   5.407  -9.416
   50    HA   LEU  38           HA       LEU  38  -3.577   3.946  -8.180
   51    HB2  LEU  38           HB2      LEU  38  -6.162   4.344  -7.724
   52    HB3  LEU  38           HB3      LEU  38  -6.315   2.745  -8.459
   53    HG   LEU  38           HG       LEU  38  -4.835   3.560  -5.973
   54   HD11  LEU  38          HD11      LEU  38  -7.259   3.390  -5.724
   55   HD12  LEU  38          HD12      LEU  38  -6.480   2.060  -4.860
   56   HD13  LEU  38          HD13      LEU  38  -7.246   1.757  -6.430
   57   HD21  LEU  38          HD21      LEU  38  -4.497   1.062  -5.588
   58   HD22  LEU  38          HD22      LEU  38  -3.497   1.741  -6.867
   59   HD23  LEU  38          HD23      LEU  38  -4.955   0.804  -7.280
   60    H    GLY  39           H        GLY  39  -5.403   3.060 -11.123
   61    HA2  GLY  39           HA2      GLY  39  -4.702   0.435 -11.590
   62    HA3  GLY  39           HA3      GLY  39  -4.792   1.660 -12.859
   63    H    LYS  40           H        LYS  40  -2.448   3.182 -11.981
   64    HA   LYS  40           HA       LYS  40  -0.325   1.453 -13.107
   65    HB2  LYS  40           HB2      LYS  40  -0.311   4.385 -12.251
   66    HB3  LYS  40           HB3      LYS  40   1.018   3.524 -13.047
   67    HG2  LYS  40           HG2      LYS  40  -0.521   3.028 -14.982
   68    HG3  LYS  40           HG3      LYS  40  -1.747   4.058 -14.219
   69    HD2  LYS  40           HD2      LYS  40  -0.159   5.983 -14.308
   70    HD3  LYS  40           HD3      LYS  40   1.034   4.937 -15.105
   71    HE2  LYS  40           HE2      LYS  40  -0.662   4.477 -16.918
   72    HE3  LYS  40           HE3      LYS  40  -1.751   5.640 -16.146
   73    HZ1  LYS  40           HZ1      LYS  40   0.948   6.296 -17.206
   74    HZ2  LYS  40           HZ2      LYS  40  -0.065   7.352 -16.507
   75    HZ3  LYS  40           HZ3      LYS  40  -0.496   6.657 -17.942
   76    H    LEU  41           H        LEU  41  -1.111   2.933  -9.976
   77    HA   LEU  41           HA       LEU  41   1.404   2.235  -8.727
   78    HB2  LEU  41           HB2      LEU  41  -0.009   4.058  -7.888
   79    HB3  LEU  41           HB3      LEU  41  -1.321   2.922  -7.551
   80    HG   LEU  41           HG       LEU  41   0.075   1.775  -5.862
   81   HD11  LEU  41          HD11      LEU  41   2.130   3.962  -6.425
   82   HD12  LEU  41          HD12      LEU  41   2.349   2.220  -6.720
   83   HD13  LEU  41          HD13      LEU  41   2.157   2.803  -5.076
   84   HD21  LEU  41          HD21      LEU  41  -1.358   3.617  -5.159
   85   HD22  LEU  41          HD22      LEU  41  -0.030   4.771  -5.449
   86   HD23  LEU  41          HD23      LEU  41   0.129   3.523  -4.181
   87    H    ASP  42           H        ASP  42  -1.786   0.606  -8.885
   88    HA   ASP  42           HA       ASP  42  -1.258  -1.662  -7.255
   89    HB2  ASP  42           HB2      ASP  42  -3.454  -1.085  -8.135
   90    HB3  ASP  42           HB3      ASP  42  -2.894  -1.268  -9.797
   91    H    GLU  43           H        GLU  43  -0.389  -1.071 -10.641
   92    HA   GLU  43           HA       GLU  43   0.754  -3.662 -11.147
   93    HB2  GLU  43           HB2      GLU  43  -0.111  -2.102 -12.864
   94    HB3  GLU  43           HB3      GLU  43   1.242  -1.009 -12.572
   95    HG2  GLU  43           HG2      GLU  43   2.838  -2.586 -13.404
   96    HG3  GLU  43           HG3      GLU  43   1.671  -3.913 -13.344
   97    H    ARG  44           H        ARG  44   2.077  -0.720  -9.705
   98    HA   ARG  44           HA       ARG  44   4.848  -1.740  -9.615
   99    HB2  ARG  44           HB2      ARG  44   4.411   0.671  -9.576
  100    HB3  ARG  44           HB3      ARG  44   3.515   0.519  -8.062
  101    HG2  ARG  44           HG2      ARG  44   5.426  -0.132  -6.837
  102    HG3  ARG  44           HG3      ARG  44   6.318  -0.573  -8.300
  103    HD2  ARG  44           HD2      ARG  44   5.543   2.305  -7.785
  104    HD3  ARG  44           HD3      ARG  44   6.967   1.553  -7.034
  105    HE   ARG  44           HE       ARG  44   7.268   0.901  -9.700
  106   HH11  ARG  44          HH11      ARG  44   7.015   3.992  -8.038
  107   HH12  ARG  44          HH12      ARG  44   8.091   4.759  -9.164
  108   HH21  ARG  44          HH21      ARG  44   8.661   1.948 -11.043
  109   HH22  ARG  44          HH22      ARG  44   9.013   3.642 -10.771
  110    H    LEU  45           H        LEU  45   2.177  -1.413  -7.236
  111    HA   LEU  45           HA       LEU  45   3.697  -2.554  -5.108
  112    HB2  LEU  45           HB2      LEU  45   0.705  -2.150  -5.521
  113    HB3  LEU  45           HB3      LEU  45   1.388  -2.724  -4.004
  114    HG   LEU  45           HG       LEU  45   2.076  -0.039  -5.286
  115   HD11  LEU  45          HD11      LEU  45  -0.246  -0.163  -4.520
  116   HD12  LEU  45          HD12      LEU  45   0.711   0.860  -3.424
  117   HD13  LEU  45          HD13      LEU  45   0.282  -0.800  -2.956
  118   HD21  LEU  45          HD21      LEU  45   3.934  -0.753  -3.899
  119   HD22  LEU  45          HD22      LEU  45   2.828  -1.274  -2.602
  120   HD23  LEU  45          HD23      LEU  45   3.003   0.441  -2.998
  121    H    ARG  46           H        ARG  46   1.343  -4.225  -7.276
  122    HA   ARG  46           HA       ARG  46   1.455  -6.728  -5.798
  123    HB2  ARG  46           HB2      ARG  46   0.813  -6.160  -8.725
  124    HB3  ARG  46           HB3      ARG  46   0.674  -7.744  -7.951
  125    HG2  ARG  46           HG2      ARG  46  -0.927  -6.734  -6.276
  126    HG3  ARG  46           HG3      ARG  46  -0.884  -5.236  -7.217
  127    HD2  ARG  46           HD2      ARG  46  -1.578  -6.658  -9.242
  128    HD3  ARG  46           HD3      ARG  46  -1.890  -7.969  -8.095
  129    HE   ARG  46           HE       ARG  46  -3.184  -5.245  -8.044
  130   HH11  ARG  46          HH11      ARG  46  -3.785  -8.730  -7.573
  131   HH12  ARG  46          HH12      ARG  46  -5.512  -8.386  -7.489
  132   HH21  ARG  46          HH21      ARG  46  -5.149  -4.998  -7.600
  133   HH22  ARG  46          HH22      ARG  46  -6.239  -6.371  -7.257
  134    H    ASN  47           H        ASN  47   3.562  -5.267  -8.211
  135    HA   ASN  47           HA       ASN  47   5.239  -7.685  -8.455
  136    HB2  ASN  47           HB2      ASN  47   5.384  -4.850  -9.539
  137    HB3  ASN  47           HB3      ASN  47   6.746  -5.957  -9.624
  138   HD21  ASN  47          HD21      ASN  47   3.710  -5.144 -11.081
  139   HD22  ASN  47          HD22      ASN  47   3.781  -6.448 -12.268
  140    H    TYR  48           H        TYR  48   5.436  -4.585  -6.577
  141    HA   TYR  48           HA       TYR  48   7.880  -5.302  -5.379
  142    HB2  TYR  48           HB2      TYR  48   5.652  -3.508  -4.398
  143    HB3  TYR  48           HB3      TYR  48   7.035  -3.892  -3.492
  144    HD1  TYR  48           HD1      TYR  48   7.166  -3.049  -7.176
  145    HD2  TYR  48           HD2      TYR  48   8.003  -1.866  -3.119
  146    HE1  TYR  48           HE1      TYR  48   8.557  -1.158  -7.995
  147    HE2  TYR  48           HE2      TYR  48   9.325   0.042  -3.944
  148    HH   TYR  48           HH       TYR  48   9.998   1.233  -5.745
  149    H    LEU  49           H        LEU  49   4.617  -6.395  -4.527
  150    HA   LEU  49           HA       LEU  49   5.408  -7.780  -2.165
  151    HB2  LEU  49           HB2      LEU  49   3.047  -7.502  -3.768
  152    HB3  LEU  49           HB3      LEU  49   3.387  -9.221  -3.784
  153    HG   LEU  49           HG       LEU  49   2.954  -7.463  -1.354
  154   HD11  LEU  49          HD11      LEU  49   0.905  -8.080  -2.626
  155   HD12  LEU  49          HD12      LEU  49   0.948  -8.894  -1.048
  156   HD13  LEU  49          HD13      LEU  49   1.360  -9.796  -2.517
  157   HD21  LEU  49          HD21      LEU  49   2.990  -9.524  -0.010
  158   HD22  LEU  49          HD22      LEU  49   4.537  -9.105  -0.709
  159   HD23  LEU  49          HD23      LEU  49   3.589 -10.422  -1.433
  160    H    LYS  50           H        LYS  50   5.415  -8.979  -5.541
  161    HA   LYS  50           HA       LYS  50   6.499 -11.596  -4.889
  162    HB2  LYS  50           HB2      LYS  50   6.670  -9.986  -7.471
  163    HB3  LYS  50           HB3      LYS  50   7.058 -11.702  -7.278
  164    HG2  LYS  50           HG2      LYS  50   4.738 -12.202  -6.645
  165    HG3  LYS  50           HG3      LYS  50   4.290 -10.501  -6.810
  166    HD2  LYS  50           HD2      LYS  50   5.360 -12.267  -9.045
  167    HD3  LYS  50           HD3      LYS  50   3.660 -11.890  -8.765
  168    HE2  LYS  50           HE2      LYS  50   4.080  -9.496  -9.149
  169    HE3  LYS  50           HE3      LYS  50   5.812  -9.807  -9.376
  170    HZ1  LYS  50           HZ1      LYS  50   4.598  -9.671 -11.500
  171    HZ2  LYS  50           HZ2      LYS  50   3.668 -10.955 -11.069
  172    HZ3  LYS  50           HZ3      LYS  50   5.293 -11.153 -11.282
  173    H    LYS  51           H        LYS  51   8.010  -8.526  -5.776
  174    HA   LYS  51           HA       LYS  51  10.729  -9.500  -5.872
  175    HB2  LYS  51           HB2      LYS  51   9.401  -6.811  -5.785
  176    HB3  LYS  51           HB3      LYS  51  11.172  -6.978  -5.795
  177    HG2  LYS  51           HG2      LYS  51  11.140  -8.112  -7.884
  178    HG3  LYS  51           HG3      LYS  51   9.364  -8.223  -7.887
  179    HD2  LYS  51           HD2      LYS  51   9.085  -5.894  -8.232
  180    HD3  LYS  51           HD3      LYS  51  10.800  -5.576  -7.841
  181    HE2  LYS  51           HE2      LYS  51  11.603  -6.548  -9.763
  182    HE3  LYS  51           HE3      LYS  51  10.071  -7.358 -10.140
  183    HZ1  LYS  51           HZ1      LYS  51   9.134  -5.229 -10.793
  184    HZ2  LYS  51           HZ2      LYS  51  10.487  -4.410 -10.295
  185    HZ3  LYS  51           HZ3      LYS  51  10.554  -5.398 -11.562
  186    H    GLY  52           H        GLY  52   8.827  -8.156  -3.164
  187    HA2  GLY  52           HA2      GLY  52  11.322  -7.951  -1.547
  188    HA3  GLY  52           HA3      GLY  52   9.792  -7.147  -1.274
  189    H    THR  53           H        THR  53   8.479 -10.039  -1.723
  190    HA   THR  53           HA       THR  53   9.136 -11.132   0.968
  191    HB   THR  53           HB       THR  53   7.148 -12.391   0.858
  192    HG1  THR  53           HG1      THR  53   6.592 -11.238  -1.684
  193   HG21  THR  53          HG21      THR  53   5.382 -10.745   0.726
  194   HG22  THR  53          HG22      THR  53   6.499  -9.614  -0.096
  195   HG23  THR  53          HG23      THR  53   6.785 -10.103   1.570
  196    H    LYS  54           H        LYS  54   9.209 -13.506   1.192
  197    HA   LYS  54           HA       LYS  54  10.804 -14.797  -0.871
  198    HB2  LYS  54           HB2      LYS  54   9.497 -15.899   1.648
  199    HB3  LYS  54           HB3      LYS  54  10.584 -16.809   0.607
  200    HG2  LYS  54           HG2      LYS  54  12.445 -15.458   1.113
  201    HG3  LYS  54           HG3      LYS  54  11.472 -14.149   1.794
  202    HD2  LYS  54           HD2      LYS  54  10.813 -15.570   3.690
  203    HD3  LYS  54           HD3      LYS  54  11.813 -16.885   3.070
  204    HE2  LYS  54           HE2      LYS  54  12.799 -14.096   3.858
  205    HE3  LYS  54           HE3      LYS  54  12.898 -15.531   4.885
  206    HZ1  LYS  54           HZ1      LYS  54  15.011 -15.195   3.741
  207    HZ2  LYS  54           HZ2      LYS  54  14.315 -16.571   3.179
  208    HZ3  LYS  54           HZ3      LYS  54  14.293 -15.191   2.285
  209    H    ASN  55           H        ASN  55   7.388 -14.897   0.142
  210    HA   ASN  55           HA       ASN  55   6.645 -15.867  -2.544
  211    HB2  ASN  55           HB2      ASN  55   6.851 -17.929  -1.217
  212    HB3  ASN  55           HB3      ASN  55   5.940 -17.202   0.106
  213   HD21  ASN  55          HD21      ASN  55   4.455 -18.982   0.045
  214   HD22  ASN  55          HD22      ASN  55   3.181 -18.981  -1.168
  215    H    SER  56           H        SER  56   5.292 -14.444  -3.314
  216    HA   SER  56           HA       SER  56   3.597 -12.713  -1.715
  217    HB2  SER  56           HB2      SER  56   4.473 -11.740  -3.620
  218    HB3  SER  56           HB3      SER  56   4.207 -13.162  -4.620
  219    HG   SER  56           HG       SER  56   2.213 -12.663  -4.985
  220    H    ALA  57           H        ALA  57   3.046 -15.928  -3.031
  221    HA   ALA  57           HA       ALA  57   0.322 -15.532  -3.753
  222    HB1  ALA  57           HB1      ALA  57   0.288 -17.991  -4.029
  223    HB2  ALA  57           HB2      ALA  57   1.836 -18.111  -3.173
  224    HB3  ALA  57           HB3      ALA  57   1.737 -17.270  -4.739
  225    H    GLN  58           H        GLN  58   1.485 -15.802  -0.574
  226    HA   GLN  58           HA       GLN  58  -0.894 -17.062   0.581
  227    HB2  GLN  58           HB2      GLN  58   0.249 -16.639   2.697
  228    HB3  GLN  58           HB3      GLN  58   1.335 -17.407   1.538
  229    HG2  GLN  58           HG2      GLN  58   2.302 -15.114   1.020
  230    HG3  GLN  58           HG3      GLN  58   1.322 -14.450   2.313
  231   HE21  GLN  58          HE21      GLN  58   4.346 -15.058   1.622
  232   HE22  GLN  58          HE22      GLN  58   4.898 -15.776   3.116
  233    H    PHE  59           H        PHE  59  -0.191 -13.923  -0.590
  234    HA   PHE  59           HA       PHE  59  -1.666 -12.468   1.482
  235    HB2  PHE  59           HB2      PHE  59  -0.134 -11.589  -0.953
  236    HB3  PHE  59           HB3      PHE  59  -1.065 -10.499   0.064
  237    HD1  PHE  59           HD1      PHE  59  -0.449 -10.023   2.370
  238    HD2  PHE  59           HD2      PHE  59   1.987 -12.619  -0.033
  239    HE1  PHE  59           HE1      PHE  59   1.369  -9.859   4.048
  240    HE2  PHE  59           HE2      PHE  59   3.817 -12.449   1.627
  241    HZ   PHE  59           HZ       PHE  59   3.516 -11.057   3.660
  242    H    GLU  60           H        GLU  60  -3.495 -11.280   1.259
  243    HA   GLU  60           HA       GLU  60  -5.420 -12.280  -0.827
  244    HB2  GLU  60           HB2      GLU  60  -5.703 -13.551   1.161
  245    HB3  GLU  60           HB3      GLU  60  -5.609 -12.121   2.192
  246    HG2  GLU  60           HG2      GLU  60  -7.777 -11.328   1.400
  247    HG3  GLU  60           HG3      GLU  60  -7.863 -12.644   0.216
  248    H    LYS  61           H        LYS  61  -4.401  -9.545   1.192
  249    HA   LYS  61           HA       LYS  61  -5.585  -7.796  -0.798
  250    HB2  LYS  61           HB2      LYS  61  -6.960  -6.439   0.616
  251    HB3  LYS  61           HB3      LYS  61  -7.499  -8.105   0.727
  252    HG2  LYS  61           HG2      LYS  61  -6.355  -8.341   2.923
  253    HG3  LYS  61           HG3      LYS  61  -5.793  -6.665   2.805
  254    HD2  LYS  61           HD2      LYS  61  -7.979  -5.793   2.923
  255    HD3  LYS  61           HD3      LYS  61  -8.725  -7.344   2.570
  256    HE2  LYS  61           HE2      LYS  61  -7.065  -6.767   5.068
  257    HE3  LYS  61           HE3      LYS  61  -8.812  -6.542   4.999
  258    HZ1  LYS  61           HZ1      LYS  61  -7.469  -9.184   4.648
  259    HZ2  LYS  61           HZ2      LYS  61  -9.084  -8.909   4.599
  260    HZ3  LYS  61           HZ3      LYS  61  -8.256  -8.654   5.978
  261    H    MET  62           H        MET  62  -5.228  -5.524  -0.257
  262    HA   MET  62           HA       MET  62  -2.847  -4.862   1.325
  263    HB2  MET  62           HB2      MET  62  -1.570  -3.920  -0.461
  264    HB3  MET  62           HB3      MET  62  -1.946  -5.593  -0.878
  265    HG2  MET  62           HG2      MET  62  -3.687  -4.860  -2.432
  266    HG3  MET  62           HG3      MET  62  -3.407  -3.171  -1.981
  267    HE1  MET  62           HE1      MET  62  -3.144  -2.450  -4.487
  268    HE2  MET  62           HE2      MET  62  -3.434  -4.128  -5.010
  269    HE3  MET  62           HE3      MET  62  -2.037  -3.232  -5.636
  270    H    VAL  63           H        VAL  63  -2.515  -2.580   1.582
  271    HA   VAL  63           HA       VAL  63  -4.720  -0.770   0.797
  272    HB   VAL  63           HB       VAL  63  -5.361  -1.908   2.930
  273   HG11  VAL  63          HG11      VAL  63  -4.187  -1.804   4.855
  274   HG12  VAL  63          HG12      VAL  63  -3.177  -0.405   4.334
  275   HG13  VAL  63          HG13      VAL  63  -2.886  -2.012   3.690
  276   HG21  VAL  63          HG21      VAL  63  -6.257   0.336   2.561
  277   HG22  VAL  63          HG22      VAL  63  -4.815   1.064   3.302
  278   HG23  VAL  63          HG23      VAL  63  -5.904   0.051   4.264
  279    H    ILE  64           H        ILE  64  -4.148   1.385   0.788
  280    HA   ILE  64           HA       ILE  64  -1.183   1.880   0.750
  281    HB   ILE  64           HB       ILE  64  -3.347   2.784  -1.186
  282   HG12  ILE  64          HG12      ILE  64  -1.262   0.640  -1.734
  283   HG13  ILE  64          HG13      ILE  64  -2.914   0.260  -1.267
  284   HG21  ILE  64          HG21      ILE  64  -0.309   2.900  -1.474
  285   HG22  ILE  64          HG22      ILE  64  -1.337   4.284  -1.035
  286   HG23  ILE  64          HG23      ILE  64  -1.524   3.535  -2.607
  287   HD11  ILE  64          HD11      ILE  64  -3.776   1.471  -3.247
  288   HD12  ILE  64          HD12      ILE  64  -2.786   0.048  -3.614
  289   HD13  ILE  64          HD13      ILE  64  -2.096   1.669  -3.812
  290    H    LEU  65           H        LEU  65  -0.498   3.725   1.746
  291    HA   LEU  65           HA       LEU  65  -2.502   5.839   2.406
  292    HB2  LEU  65           HB2      LEU  65  -0.058   5.291   4.093
  293    HB3  LEU  65           HB3      LEU  65  -1.405   6.355   4.432
  294    HG   LEU  65           HG       LEU  65  -1.446   3.318   4.480
  295   HD11  LEU  65          HD11      LEU  65  -1.819   3.629   6.897
  296   HD12  LEU  65          HD12      LEU  65  -1.747   5.390   6.697
  297   HD13  LEU  65          HD13      LEU  65  -0.302   4.411   6.392
  298   HD21  LEU  65          HD21      LEU  65  -3.668   5.309   5.129
  299   HD22  LEU  65          HD22      LEU  65  -3.728   3.553   5.425
  300   HD23  LEU  65          HD23      LEU  65  -3.673   4.166   3.772
  301    H    THR  66           H        THR  66  -2.041   7.784   1.575
  302    HA   THR  66           HA       THR  66   0.669   8.207   0.354
  303    HB   THR  66           HB       THR  66  -0.424   9.529  -1.346
  304    HG1  THR  66           HG1      THR  66  -2.167  10.347  -0.263
  305   HG21  THR  66          HG21      THR  66  -0.237   7.092  -1.730
  306   HG22  THR  66          HG22      THR  66  -1.627   7.821  -2.558
  307   HG23  THR  66          HG23      THR  66  -1.882   6.879  -1.074
  308    H    GLU  67           H        GLU  67   1.133  10.633  -0.127
  309    HA   GLU  67           HA       GLU  67   0.833  12.406   2.091
  310    HB2  GLU  67           HB2      GLU  67   0.720  13.403  -0.753
  311    HB3  GLU  67           HB3      GLU  67   1.366  14.199   0.654
  312    HG2  GLU  67           HG2      GLU  67   3.351  12.851   0.625
  313    HG3  GLU  67           HG3      GLU  67   2.684  11.744  -0.572
  314    H    ASN  68           H        ASN  68  -0.609  14.364   2.115
  315    HA   ASN  68           HA       ASN  68  -2.656  15.311   2.296
  316    HB2  ASN  68           HB2      ASN  68  -2.992  14.233  -0.516
  317    HB3  ASN  68           HB3      ASN  68  -3.815  15.624   0.155
  318   HD21  ASN  68          HD21      ASN  68  -1.644  15.097  -2.055
  319   HD22  ASN  68          HD22      ASN  68  -0.442  16.343  -1.692
  320    H    LYS  69           H        LYS  69  -2.436  12.742   3.387
  321    HA   LYS  69           HA       LYS  69  -3.548  11.105   4.445
  322    HB2  LYS  69           HB2      LYS  69  -5.728  13.217   4.445
  323    HB3  LYS  69           HB3      LYS  69  -5.627  11.836   5.548
  324    HG2  LYS  69           HG2      LYS  69  -3.443  12.620   6.393
  325    HG3  LYS  69           HG3      LYS  69  -3.545  14.057   5.364
  326    HD2  LYS  69           HD2      LYS  69  -5.606  13.343   7.489
  327    HD3  LYS  69           HD3      LYS  69  -4.213  14.413   7.747
  328    HE2  LYS  69           HE2      LYS  69  -4.970  15.960   6.060
  329    HE3  LYS  69           HE3      LYS  69  -6.312  14.909   5.586
  330    HZ1  LYS  69           HZ1      LYS  69  -6.055  16.013   8.316
  331    HZ2  LYS  69           HZ2      LYS  69  -7.378  15.300   7.637
  332    HZ3  LYS  69           HZ3      LYS  69  -6.869  16.785   7.116
  333    H    GLY  70           H        GLY  70  -3.761  10.787   1.555
  334    HA2  GLY  70           HA2      GLY  70  -6.346   9.632   0.964
  335    HA3  GLY  70           HA3      GLY  70  -4.860   9.361   0.062
  336    H    TYR  71           H        TYR  71  -7.103   7.617   1.198
  337    HA   TYR  71           HA       TYR  71  -5.376   5.351   2.070
  338    HB2  TYR  71           HB2      TYR  71  -6.442   6.276   4.057
  339    HB3  TYR  71           HB3      TYR  71  -8.019   6.197   3.302
  340    HD1  TYR  71           HD1      TYR  71  -8.795   3.710   2.555
  341    HD2  TYR  71           HD2      TYR  71  -5.911   4.617   5.645
  342    HE1  TYR  71           HE1      TYR  71  -9.221   1.515   3.605
  343    HE2  TYR  71           HE2      TYR  71  -6.433   2.474   6.738
  344    HH   TYR  71           HH       TYR  71  -8.681   0.068   5.318
  345    H    TYR  72           H        TYR  72  -5.713   3.604   0.825
  346    HA   TYR  72           HA       TYR  72  -8.275   3.218  -0.679
  347    HB2  TYR  72           HB2      TYR  72  -5.525   2.924  -1.941
  348    HB3  TYR  72           HB3      TYR  72  -7.089   2.851  -2.726
  349    HD1  TYR  72           HD1      TYR  72  -4.499   5.080  -1.290
  350    HD2  TYR  72           HD2      TYR  72  -8.296   4.890  -3.337
  351    HE1  TYR  72           HE1      TYR  72  -4.329   7.512  -1.837
  352    HE2  TYR  72           HE2      TYR  72  -8.108   7.293  -3.903
  353    HH   TYR  72           HH       TYR  72  -6.942   9.200  -3.606
  354    H    THR  73           H        THR  73  -8.805   0.980  -0.967
  355    HA   THR  73           HA       THR  73  -6.765  -1.005  -0.037
  356    HB   THR  73           HB       THR  73  -8.284  -0.402   1.807
  357    HG1  THR  73           HG1      THR  73  -8.667  -2.490   2.370
  358   HG21  THR  73          HG21      THR  73 -10.443  -1.772   0.162
  359   HG22  THR  73          HG22      THR  73 -10.401  -0.060   0.648
  360   HG23  THR  73          HG23      THR  73 -10.551  -1.324   1.875
  361    H    VAL  74           H        VAL  74  -6.781  -3.012  -0.908
  362    HA   VAL  74           HA       VAL  74  -8.471  -3.517  -3.315
  363    HB   VAL  74           HB       VAL  74  -5.427  -3.360  -3.336
  364   HG11  VAL  74          HG11      VAL  74  -5.715  -3.722  -5.800
  365   HG12  VAL  74          HG12      VAL  74  -7.436  -4.070  -5.513
  366   HG13  VAL  74          HG13      VAL  74  -6.171  -5.118  -4.830
  367   HG21  VAL  74          HG21      VAL  74  -6.331  -1.092  -3.410
  368   HG22  VAL  74          HG22      VAL  74  -7.471  -1.559  -4.693
  369   HG23  VAL  74          HG23      VAL  74  -5.721  -1.541  -5.000
  370    H    TYR  75           H        TYR  75  -9.085  -5.593  -3.363
  371    HA   TYR  75           HA       TYR  75  -7.719  -7.618  -1.723
  372    HB2  TYR  75           HB2      TYR  75 -10.087  -7.715  -3.609
  373    HB3  TYR  75           HB3      TYR  75  -9.379  -9.151  -2.883
  374    HD1  TYR  75           HD1      TYR  75  -9.210  -9.345  -0.339
  375    HD2  TYR  75           HD2      TYR  75 -11.642  -6.387  -2.321
  376    HE1  TYR  75           HE1      TYR  75 -10.524  -9.021   1.739
  377    HE2  TYR  75           HE2      TYR  75 -12.963  -6.066  -0.235
  378    HH   TYR  75           HH       TYR  75 -13.196  -6.650   2.017
  379    H    LEU  76           H        LEU  76  -6.427  -9.190  -2.381
  380    HA   LEU  76           HA       LEU  76  -5.196  -9.035  -5.085
  381    HB2  LEU  76           HB2      LEU  76  -4.333 -10.405  -2.511
  382    HB3  LEU  76           HB3      LEU  76  -3.416 -10.422  -4.008
  383    HG   LEU  76           HG       LEU  76  -4.118  -7.848  -2.523
  384   HD11  LEU  76          HD11      LEU  76  -2.694  -9.248  -1.132
  385   HD12  LEU  76          HD12      LEU  76  -1.797  -7.860  -1.760
  386   HD13  LEU  76          HD13      LEU  76  -1.555  -9.471  -2.482
  387   HD21  LEU  76          HD21      LEU  76  -2.165  -8.446  -4.782
  388   HD22  LEU  76          HD22      LEU  76  -2.271  -6.907  -3.897
  389   HD23  LEU  76          HD23      LEU  76  -3.633  -7.443  -4.876
  390    H    ASN  77           H        ASN  77  -7.702 -10.709  -3.711
  391    HA   ASN  77           HA       ASN  77  -7.403 -13.324  -4.902
  392    HB2  ASN  77           HB2      ASN  77  -9.859 -11.643  -4.205
  393    HB3  ASN  77           HB3      ASN  77  -9.926 -13.325  -4.692
  394   HD21  ASN  77          HD21      ASN  77 -10.701 -11.899  -2.149
  395   HD22  ASN  77          HD22      ASN  77 -10.028 -13.018  -0.975
  396    H    THR  78           H        THR  78  -7.894 -10.218  -6.390
  397    HA   THR  78           HA       THR  78  -8.466 -11.307  -9.025
  398    HB   THR  78           HB       THR  78 -10.701 -11.130  -8.268
  399    HG1  THR  78           HG1      THR  78 -10.872  -8.605  -9.169
  400   HG21  THR  78          HG21      THR  78 -10.549  -9.902  -6.182
  401   HG22  THR  78          HG22      THR  78  -9.985  -8.437  -7.019
  402   HG23  THR  78          HG23      THR  78 -11.650  -9.010  -7.230
  403    HA   PRO  79           HA       PRO  79  -6.089  -7.638 -10.155
  404    HB2  PRO  79           HB2      PRO  79  -7.081  -7.188 -12.684
  405    HB3  PRO  79           HB3      PRO  79  -5.966  -8.534 -12.294
  406    HG2  PRO  79           HG2      PRO  79  -8.981  -8.617 -12.378
  407    HG3  PRO  79           HG3      PRO  79  -7.844  -9.703 -13.254
  408    HD2  PRO  79           HD2      PRO  79  -8.996 -10.418 -10.938
  409    HD3  PRO  79           HD3      PRO  79  -7.274 -10.779 -11.148
  410    H    LEU  80           H        LEU  80  -6.384  -5.374 -10.352
  411    HA   LEU  80           HA       LEU  80  -8.384  -4.201  -8.867
  412    HB2  LEU  80           HB2      LEU  80  -6.058  -3.352  -9.659
  413    HB3  LEU  80           HB3      LEU  80  -6.884  -2.805 -11.112
  414    HG   LEU  80           HG       LEU  80  -8.436  -1.454  -9.526
  415   HD11  LEU  80          HD11      LEU  80  -6.147  -2.077  -7.603
  416   HD12  LEU  80          HD12      LEU  80  -7.814  -2.650  -7.425
  417   HD13  LEU  80          HD13      LEU  80  -7.470  -0.920  -7.313
  418   HD21  LEU  80          HD21      LEU  80  -6.661  -0.425 -10.858
  419   HD22  LEU  80          HD22      LEU  80  -5.463  -0.802  -9.602
  420   HD23  LEU  80          HD23      LEU  80  -6.773   0.351  -9.267
  421    H    ALA  81           H        ALA  81 -10.357  -3.287  -9.138
  422    HA   ALA  81           HA       ALA  81 -11.964  -3.867 -11.465
  423    HB1  ALA  81           HB1      ALA  81 -12.440  -2.071  -9.040
  424    HB2  ALA  81           HB2      ALA  81 -12.861  -3.795  -9.171
  425    HB3  ALA  81           HB3      ALA  81 -13.682  -2.601 -10.189
  426    H    GLU  82           H        GLU  82 -12.940  -2.396 -12.936
  427    HA   GLU  82           HA       GLU  82 -11.111  -0.592 -14.093
  428    HB2  GLU  82           HB2      GLU  82 -14.083  -0.974 -14.607
  429    HB3  GLU  82           HB3      GLU  82 -13.000  -0.016 -15.614
  430    HG2  GLU  82           HG2      GLU  82 -13.256  -2.184 -16.630
  431    HG3  GLU  82           HG3      GLU  82 -11.595  -1.986 -16.068
  432    H    ASP  83           H        ASP  83 -13.880   0.169 -11.949
  433    HA   ASP  83           HA       ASP  83 -13.620   3.043 -12.333
  434    HB2  ASP  83           HB2      ASP  83 -15.013   1.334 -10.263
  435    HB3  ASP  83           HB3      ASP  83 -14.986   3.096 -10.159
  436    H    ARG  84           H        ARG  84 -11.653   0.811 -10.722
  437    HA   ARG  84           HA       ARG  84 -10.320   2.949  -9.107
  438    HB2  ARG  84           HB2      ARG  84 -10.399  -0.078  -8.783
  439    HB3  ARG  84           HB3      ARG  84  -9.302   0.992  -7.896
  440    HG2  ARG  84           HG2      ARG  84 -11.242   2.313  -7.088
  441    HG3  ARG  84           HG3      ARG  84 -12.343   1.195  -7.914
  442    HD2  ARG  84           HD2      ARG  84 -11.697  -0.621  -6.465
  443    HD3  ARG  84           HD3      ARG  84 -10.406   0.353  -5.724
  444    HE   ARG  84           HE       ARG  84 -12.540   1.925  -5.233
  445   HH11  ARG  84          HH11      ARG  84 -12.057  -1.449  -4.516
  446   HH12  ARG  84          HH12      ARG  84 -13.294  -1.471  -3.287
  447   HH21  ARG  84          HH21      ARG  84 -13.989   1.903  -3.531
  448   HH22  ARG  84          HH22      ARG  84 -14.338   0.391  -2.729
  449    H    LYS  85           H        LYS  85  -9.773   0.668 -11.756
  450    HA   LYS  85           HA       LYS  85  -7.008   1.327 -12.246
  451    HB2  LYS  85           HB2      LYS  85  -9.324   0.662 -14.097
  452    HB3  LYS  85           HB3      LYS  85  -7.696   1.010 -14.678
  453    HG2  LYS  85           HG2      LYS  85  -6.775  -0.831 -13.307
  454    HG3  LYS  85           HG3      LYS  85  -8.419  -1.287 -12.820
  455    HD2  LYS  85           HD2      LYS  85  -9.017  -1.821 -15.120
  456    HD3  LYS  85           HD3      LYS  85  -7.509  -1.101 -15.726
  457    HE2  LYS  85           HE2      LYS  85  -6.205  -2.793 -14.453
  458    HE3  LYS  85           HE3      LYS  85  -7.710  -3.586 -13.965
  459    HZ1  LYS  85           HZ1      LYS  85  -6.623  -4.594 -15.949
  460    HZ2  LYS  85           HZ2      LYS  85  -6.862  -3.203 -16.797
  461    HZ3  LYS  85           HZ3      LYS  85  -8.153  -4.069 -16.287
  462    H    ASN  86           H        ASN  86  -9.917   3.164 -12.594
  463    HA   ASN  86           HA       ASN  86  -8.490   5.448 -13.845
  464    HB2  ASN  86           HB2      ASN  86 -11.420   4.602 -13.653
  465    HB3  ASN  86           HB3      ASN  86 -10.885   6.097 -14.395
  466   HD21  ASN  86          HD21      ASN  86 -11.648   2.900 -15.100
  467   HD22  ASN  86          HD22      ASN  86 -10.968   2.938 -16.728
  468    H    VAL  87           H        VAL  87  -8.861   4.817 -10.598
  469    HA   VAL  87           HA       VAL  87 -10.341   7.291  -9.924
  470    HB   VAL  87           HB       VAL  87 -10.629   5.144  -8.680
  471   HG11  VAL  87          HG11      VAL  87  -9.141   4.517  -6.908
  472   HG12  VAL  87          HG12      VAL  87  -8.026   5.847  -7.291
  473   HG13  VAL  87          HG13      VAL  87  -8.250   4.512  -8.439
  474   HG21  VAL  87          HG21      VAL  87 -10.890   6.209  -6.512
  475   HG22  VAL  87          HG22      VAL  87 -11.366   7.333  -7.787
  476   HG23  VAL  87          HG23      VAL  87  -9.798   7.529  -6.975
  477    H    GLU  88           H        GLU  88  -9.495   9.132  -9.059
  478    HA   GLU  88           HA       GLU  88  -6.809   9.938  -9.627
  479    HB2  GLU  88           HB2      GLU  88  -8.920  11.058  -7.739
  480    HB3  GLU  88           HB3      GLU  88  -7.403  11.875  -8.100
  481    HG2  GLU  88           HG2      GLU  88  -8.021  11.978 -10.504
  482    HG3  GLU  88           HG3      GLU  88  -9.594  11.260 -10.116
  483    H    LEU  89           H        LEU  89  -5.145  10.606  -8.192
  484    HA   LEU  89           HA       LEU  89  -5.001   9.121  -5.586
  485    HB2  LEU  89           HB2      LEU  89  -2.856   9.723  -7.649
  486    HB3  LEU  89           HB3      LEU  89  -2.466   9.272  -6.000
  487    HG   LEU  89           HG       LEU  89  -4.064   7.535  -7.932
  488   HD11  LEU  89          HD11      LEU  89  -2.045   6.125  -7.979
  489   HD12  LEU  89          HD12      LEU  89  -1.187   7.302  -6.960
  490   HD13  LEU  89          HD13      LEU  89  -1.723   7.743  -8.594
  491   HD21  LEU  89          HD21      LEU  89  -4.631   6.989  -5.578
  492   HD22  LEU  89          HD22      LEU  89  -2.900   6.957  -5.152
  493   HD23  LEU  89          HD23      LEU  89  -3.588   5.733  -6.238
  494    H    LEU  90           H        LEU  90  -4.842  10.311  -3.833
  495    HA   LEU  90           HA       LEU  90  -4.794  13.197  -3.930
  496    HB2  LEU  90           HB2      LEU  90  -4.761  11.095  -1.744
  497    HB3  LEU  90           HB3      LEU  90  -4.646  12.805  -1.347
  498    HG   LEU  90           HG       LEU  90  -6.895  11.799  -3.128
  499   HD11  LEU  90          HD11      LEU  90  -6.855  11.920  -0.093
  500   HD12  LEU  90          HD12      LEU  90  -7.038  10.467  -1.107
  501   HD13  LEU  90          HD13      LEU  90  -8.307  11.695  -1.104
  502   HD21  LEU  90          HD21      LEU  90  -6.622  14.193  -1.254
  503   HD22  LEU  90          HD22      LEU  90  -8.045  13.794  -2.236
  504   HD23  LEU  90          HD23      LEU  90  -6.536  14.251  -3.029
  505    H    GLY  91           H        GLY  91  -2.252  10.826  -3.301
  506    HA2  GLY  91           HA2      GLY  91  -0.171  12.932  -3.379
  507    HA3  GLY  91           HA3      GLY  91  -0.394  12.057  -1.867
  508    H    LYS  92           H        LYS  92   1.999  11.972  -2.867
  509    HA   LYS  92           HA       LYS  92   2.653   9.678  -4.484
  510    HB2  LYS  92           HB2      LYS  92   4.030  11.829  -3.782
  511    HB3  LYS  92           HB3      LYS  92   4.449  10.882  -2.375
  512    HG2  LYS  92           HG2      LYS  92   6.206  10.483  -3.791
  513    HG3  LYS  92           HG3      LYS  92   5.190   9.091  -4.192
  514    HD2  LYS  92           HD2      LYS  92   4.421  10.186  -6.235
  515    HD3  LYS  92           HD3      LYS  92   5.237  11.696  -5.760
  516    HE2  LYS  92           HE2      LYS  92   7.428  10.565  -5.802
  517    HE3  LYS  92           HE3      LYS  92   6.658   9.049  -6.287
  518    HZ1  LYS  92           HZ1      LYS  92   7.601  10.240  -8.161
  519    HZ2  LYS  92           HZ2      LYS  92   6.671  11.544  -7.931
  520    HZ3  LYS  92           HZ3      LYS  92   5.973  10.130  -8.363
  521    H    MET  93           H        MET  93   3.860   7.801  -3.703
  522    HA   MET  93           HA       MET  93   2.203   6.192  -1.988
  523    HB2  MET  93           HB2      MET  93   3.210   5.467  -4.164
  524    HB3  MET  93           HB3      MET  93   4.813   5.564  -3.440
  525    HG2  MET  93           HG2      MET  93   3.940   3.755  -1.772
  526    HG3  MET  93           HG3      MET  93   2.584   3.592  -2.871
  527    HE1  MET  93           HE1      MET  93   6.390   1.309  -3.082
  528    HE2  MET  93           HE2      MET  93   5.138   1.531  -1.834
  529    HE3  MET  93           HE3      MET  93   6.331   2.818  -2.143
  530    H    TYR  94           H        TYR  94   2.867   7.753  -0.026
  531    HA   TYR  94           HA       TYR  94   5.380   7.436   1.169
  532    HB2  TYR  94           HB2      TYR  94   3.712   9.152   1.789
  533    HB3  TYR  94           HB3      TYR  94   2.729   7.924   2.559
  534    HD1  TYR  94           HD1      TYR  94   6.350   8.957   2.566
  535    HD2  TYR  94           HD2      TYR  94   2.941   7.783   4.913
  536    HE1  TYR  94           HE1      TYR  94   7.661   9.329   4.644
  537    HE2  TYR  94           HE2      TYR  94   4.239   8.190   7.000
  538    HH   TYR  94           HH       TYR  94   7.604   9.445   6.910
  539    H    LYS  95           H        LYS  95   2.531   5.304   1.656
  540    HA   LYS  95           HA       LYS  95   4.293   3.219   2.803
  541    HB2  LYS  95           HB2      LYS  95   3.305   4.935   4.589
  542    HB3  LYS  95           HB3      LYS  95   1.811   4.072   4.324
  543    HG2  LYS  95           HG2      LYS  95   2.833   3.180   6.275
  544    HG3  LYS  95           HG3      LYS  95   2.938   1.946   5.032
  545    HD2  LYS  95           HD2      LYS  95   4.997   2.135   6.407
  546    HD3  LYS  95           HD3      LYS  95   5.297   2.378   4.697
  547    HE2  LYS  95           HE2      LYS  95   6.614   3.927   6.020
  548    HE3  LYS  95           HE3      LYS  95   5.472   4.809   5.012
  549    HZ1  LYS  95           HZ1      LYS  95   5.008   4.207   7.893
  550    HZ2  LYS  95           HZ2      LYS  95   4.098   5.213   6.951
  551    HZ3  LYS  95           HZ3      LYS  95   5.651   5.588   7.363
  552    H    THR  96           H        THR  96   3.383   1.108   2.732
  553    HA   THR  96           HA       THR  96   0.525   0.778   1.949
  554    HB   THR  96           HB       THR  96   2.761  -0.738   0.543
  555    HG1  THR  96           HG1      THR  96   2.038   1.643   0.174
  556   HG21  THR  96          HG21      THR  96   1.034  -1.513  -0.976
  557   HG22  THR  96          HG22      THR  96  -0.202  -0.555  -0.149
  558   HG23  THR  96          HG23      THR  96   0.531  -1.952   0.652
  559    H    TYR  97           H        TYR  97  -0.386  -1.083   2.786
  560    HA   TYR  97           HA       TYR  97   1.362  -2.940   4.358
  561    HB2  TYR  97           HB2      TYR  97  -1.391  -2.030   5.309
  562    HB3  TYR  97           HB3      TYR  97  -0.327  -3.169   6.033
  563    HD1  TYR  97           HD1      TYR  97   1.587  -2.533   7.364
  564    HD2  TYR  97           HD2      TYR  97  -0.857   0.429   5.402
  565    HE1  TYR  97           HE1      TYR  97   2.468  -0.800   8.901
  566    HE2  TYR  97           HE2      TYR  97   0.052   2.170   6.944
  567    HH   TYR  97           HH       TYR  97   2.104   1.302   9.716
  568    H    PHE  98           H        PHE  98   0.673  -5.087   4.507
  569    HA   PHE  98           HA       PHE  98  -1.381  -6.055   2.563
  570    HB2  PHE  98           HB2      PHE  98   1.504  -6.928   2.864
  571    HB3  PHE  98           HB3      PHE  98   0.326  -7.698   1.825
  572    HD1  PHE  98           HD1      PHE  98   2.299  -4.556   2.321
  573    HD2  PHE  98           HD2      PHE  98  -0.085  -6.923  -0.371
  574    HE1  PHE  98           HE1      PHE  98   3.003  -3.120   0.435
  575    HE2  PHE  98           HE2      PHE  98   0.666  -5.513  -2.275
  576    HZ   PHE  98           HZ       PHE  98   2.216  -3.621  -1.878
  577    H    PHE  99           H        PHE  99  -2.171  -8.115   2.927
  578    HA   PHE  99           HA       PHE  99  -1.884  -9.218   5.706
  579    HB2  PHE  99           HB2      PHE  99  -4.453  -8.668   4.170
  580    HB3  PHE  99           HB3      PHE  99  -4.317  -9.179   5.836
  581    HD1  PHE  99           HD1      PHE  99  -3.621  -6.337   3.497
  582    HD2  PHE  99           HD2      PHE  99  -4.278  -7.493   7.594
  583    HE1  PHE  99           HE1      PHE  99  -3.474  -4.002   4.166
  584    HE2  PHE  99           HE2      PHE  99  -4.220  -5.097   8.246
  585    HZ   PHE  99           HZ       PHE  99  -3.696  -3.354   6.572
  586    H    LYS 100           H        LYS 100  -1.895 -11.466   5.809
  587    HA   LYS 100           HA       LYS 100  -1.951 -13.008   3.305
  588    HB2  LYS 100           HB2      LYS 100  -1.778 -13.952   6.154
  589    HB3  LYS 100           HB3      LYS 100  -1.651 -14.971   4.725
  590    HG2  LYS 100           HG2      LYS 100   0.458 -14.501   4.344
  591    HG3  LYS 100           HG3      LYS 100   0.285 -12.768   4.590
  592    HD2  LYS 100           HD2      LYS 100   0.451 -13.091   7.037
  593    HD3  LYS 100           HD3      LYS 100   0.497 -14.852   6.812
  594    HE2  LYS 100           HE2      LYS 100   2.583 -14.626   5.488
  595    HE3  LYS 100           HE3      LYS 100   2.565 -12.878   5.765
  596    HZ1  LYS 100           HZ1      LYS 100   2.757 -14.932   7.919
  597    HZ2  LYS 100           HZ2      LYS 100   2.836 -13.296   8.125
  598    HZ3  LYS 100           HZ3      LYS 100   4.011 -14.098   7.321
  599    H    LYS 101           H        LYS 101  -3.354 -15.006   3.168
  600    HA   LYS 101           HA       LYS 101  -6.128 -14.412   3.280
  601    HB2  LYS 101           HB2      LYS 101  -6.551 -16.787   2.955
  602    HB3  LYS 101           HB3      LYS 101  -5.380 -16.120   1.828
  603    HG2  LYS 101           HG2      LYS 101  -3.528 -17.186   3.004
  604    HG3  LYS 101           HG3      LYS 101  -4.620 -17.776   4.273
  605    HD2  LYS 101           HD2      LYS 101  -5.823 -19.176   2.682
  606    HD3  LYS 101           HD3      LYS 101  -4.869 -18.530   1.327
  607    HE2  LYS 101           HE2      LYS 101  -2.809 -19.456   2.275
  608    HE3  LYS 101           HE3      LYS 101  -3.674 -20.004   3.713
  609    HZ1  LYS 101           HZ1      LYS 101  -4.893 -21.564   2.386
  610    HZ2  LYS 101           HZ2      LYS 101  -3.292 -21.769   2.091
  611    HZ3  LYS 101           HZ3      LYS 101  -4.255 -21.008   0.975
  612    H    GLY 102           H        GLY 102  -7.557 -14.203   4.800
  613    HA2  GLY 102           HA2      GLY 102  -8.699 -14.600   6.793
  614    HA3  GLY 102           HA3      GLY 102  -7.502 -15.806   7.254
  615    H    GLU 103           H        GLU 103  -6.804 -12.333   6.516
  616    HA   GLU 103           HA       GLU 103  -6.174 -11.916   9.425
  617    HB2  GLU 103           HB2      GLU 103  -4.489 -11.064   7.045
  618    HB3  GLU 103           HB3      GLU 103  -4.178 -10.671   8.741
  619    HG2  GLU 103           HG2      GLU 103  -4.152 -13.185   9.181
  620    HG3  GLU 103           HG3      GLU 103  -4.102 -13.419   7.435
  621    H    SER 104           H        SER 104  -6.082  -9.772  10.202
  622    HA   SER 104           HA       SER 104  -7.312  -7.599   8.594
  623    HB2  SER 104           HB2      SER 104  -8.896  -7.038  10.363
  624    HB3  SER 104           HB3      SER 104  -9.194  -8.636   9.710
  625    HG   SER 104           HG       SER 104  -9.150  -9.185  11.748
  626    H    LYS 105           H        LYS 105  -4.689  -8.398  10.269
  627    HA   LYS 105           HA       LYS 105  -4.041  -5.517  10.440
  628    HB2  LYS 105           HB2      LYS 105  -4.462  -6.163  12.747
  629    HB3  LYS 105           HB3      LYS 105  -3.339  -7.536  12.597
  630    HG2  LYS 105           HG2      LYS 105  -1.481  -6.052  12.358
  631    HG3  LYS 105           HG3      LYS 105  -2.490  -4.622  12.296
  632    HD2  LYS 105           HD2      LYS 105  -1.788  -4.639  14.549
  633    HD3  LYS 105           HD3      LYS 105  -3.374  -5.409  14.659
  634    HE2  LYS 105           HE2      LYS 105  -2.292  -7.633  14.549
  635    HE3  LYS 105           HE3      LYS 105  -0.708  -6.850  14.380
  636    HZ1  LYS 105           HZ1      LYS 105  -1.068  -7.489  16.683
  637    HZ2  LYS 105           HZ2      LYS 105  -2.493  -6.704  16.750
  638    HZ3  LYS 105           HZ3      LYS 105  -1.100  -5.843  16.600
  639    H    SER 106           H        SER 106  -2.029  -5.114   9.555
  640    HA   SER 106           HA       SER 106  -1.364  -6.952   7.534
  641    HB2  SER 106           HB2      SER 106   0.350  -5.486   6.815
  642    HB3  SER 106           HB3      SER 106  -0.972  -4.521   7.483
  643    HG   SER 106           HG       SER 106   1.602  -5.030   8.674
  644    H    SER 107           H        SER 107   0.563  -7.943   6.922
  645    HA   SER 107           HA       SER 107   2.444  -8.798   9.102
  646    HB2  SER 107           HB2      SER 107   0.789 -10.584   8.040
  647    HB3  SER 107           HB3      SER 107   1.810 -10.444   6.612
  648    HG   SER 107           HG       SER 107   2.504 -11.244   9.245
  649    H    TYR 108           H        TYR 108   2.086  -7.276   6.071
  650    HA   TYR 108           HA       TYR 108   5.003  -7.047   5.743
  651    HB2  TYR 108           HB2      TYR 108   4.463  -8.984   4.407
  652    HB3  TYR 108           HB3      TYR 108   3.112  -8.170   3.658
  653    HD1  TYR 108           HD1      TYR 108   6.815  -8.151   3.940
  654    HD2  TYR 108           HD2      TYR 108   3.416  -6.991   1.600
  655    HE1  TYR 108           HE1      TYR 108   8.316  -7.702   1.985
  656    HE2  TYR 108           HE2      TYR 108   4.886  -6.474  -0.315
  657    HH   TYR 108           HH       TYR 108   7.073  -6.597  -1.175
  658    H    VAL 109           H        VAL 109   5.604  -5.200   4.900
  659    HA   VAL 109           HA       VAL 109   3.681  -3.216   3.848
  660    HB   VAL 109           HB       VAL 109   3.418  -2.622   5.932
  661   HG11  VAL 109          HG11      VAL 109   5.176  -2.613   7.787
  662   HG12  VAL 109          HG12      VAL 109   6.093  -3.627   6.644
  663   HG13  VAL 109          HG13      VAL 109   4.501  -4.143   7.225
  664   HG21  VAL 109          HG21      VAL 109   5.891  -0.970   5.740
  665   HG22  VAL 109          HG22      VAL 109   4.504  -0.738   6.815
  666   HG23  VAL 109          HG23      VAL 109   4.298  -0.534   5.083
  667    H    ILE 110           H        ILE 110   4.580  -1.318   3.005
  668    HA   ILE 110           HA       ILE 110   7.430  -1.545   2.142
  669    HB   ILE 110           HB       ILE 110   5.065  -0.962   0.378
  670   HG12  ILE 110          HG12      ILE 110   6.831  -3.388   0.417
  671   HG13  ILE 110          HG13      ILE 110   5.200  -3.401   0.978
  672   HG21  ILE 110          HG21      ILE 110   7.988  -1.319  -0.387
  673   HG22  ILE 110          HG22      ILE 110   7.175   0.260  -0.254
  674   HG23  ILE 110          HG23      ILE 110   6.657  -0.884  -1.477
  675   HD11  ILE 110          HD11      ILE 110   4.429  -2.943  -1.337
  676   HD12  ILE 110          HD12      ILE 110   5.400  -4.439  -1.181
  677   HD13  ILE 110          HD13      ILE 110   6.112  -2.973  -1.860
  678    H    ASN 111           H        ASN 111   8.492   0.263   2.311
  679    HA   ASN 111           HA       ASN 111   7.168   2.791   3.189
  680    HB2  ASN 111           HB2      ASN 111  10.072   1.821   3.204
  681    HB3  ASN 111           HB3      ASN 111   9.531   3.398   3.759
  682   HD21  ASN 111          HD21      ASN 111  10.963   1.376   5.356
  683   HD22  ASN 111          HD22      ASN 111   9.893   1.093   6.711
  684    H    GLY 112           H        GLY 112   7.284   4.628   1.870
  685    HA2  GLY 112           HA2      GLY 112   8.905   4.577  -0.612
  686    HA3  GLY 112           HA3      GLY 112   7.165   4.518  -0.788
  687    HA   PRO 113           HA       PRO 113   8.934   8.851  -0.619
  688    HB2  PRO 113           HB2      PRO 113   8.192   9.778  -3.064
  689    HB3  PRO 113           HB3      PRO 113   9.628   8.747  -2.810
  690    HG2  PRO 113           HG2      PRO 113   6.851   7.839  -3.655
  691    HG3  PRO 113           HG3      PRO 113   8.397   7.499  -4.466
  692    HD2  PRO 113           HD2      PRO 113   7.255   5.765  -2.701
  693    HD3  PRO 113           HD3      PRO 113   9.029   5.996  -2.709
  694    H    GLY 114           H        GLY 114   7.875  10.387   0.316
  695    HA2  GLY 114           HA2      GLY 114   5.633  11.807  -0.402
  696    HA3  GLY 114           HA3      GLY 114   4.980  10.525   0.613
  697    H    LYS 115           H        LYS 115   7.719  10.764   2.204
  698    HA   LYS 115           HA       LYS 115   8.497  11.709   4.072
  699    HB2  LYS 115           HB2      LYS 115   8.306  13.795   2.239
  700    HB3  LYS 115           HB3      LYS 115   7.461  14.448   3.621
  701    HG2  LYS 115           HG2      LYS 115   9.734  15.121   3.783
  702    HG3  LYS 115           HG3      LYS 115   9.514  13.888   5.031
  703    HD2  LYS 115           HD2      LYS 115  10.628  12.210   3.654
  704    HD3  LYS 115           HD3      LYS 115  10.631  13.300   2.251
  705    HE2  LYS 115           HE2      LYS 115  12.120  14.859   3.421
  706    HE3  LYS 115           HE3      LYS 115  12.098  13.834   4.864
  707    HZ1  LYS 115           HZ1      LYS 115  13.060  12.914   2.215
  708    HZ2  LYS 115           HZ2      LYS 115  14.072  13.464   3.384
  709    HZ3  LYS 115           HZ3      LYS 115  13.182  12.106   3.648
  710    H    THR 116           H        THR 116   5.051  12.209   3.675
  711    HA   THR 116           HA       THR 116   4.477  11.440   6.358
  712    HB   THR 116           HB       THR 116   5.151  13.685   7.017
  713    HG1  THR 116           HG1      THR 116   3.369  14.211   8.048
  714   HG21  THR 116          HG21      THR 116   3.162  14.737   4.963
  715   HG22  THR 116          HG22      THR 116   4.929  14.921   4.898
  716   HG23  THR 116          HG23      THR 116   4.016  15.702   6.191
  717    H    ASN 117           H        ASN 117   2.080  11.382   6.692
  718    HA   ASN 117           HA       ASN 117   0.579  11.224   4.149
  719    HB2  ASN 117           HB2      ASN 117  -0.118  10.565   7.048
  720    HB3  ASN 117           HB3      ASN 117  -1.198  10.364   5.670
  721   HD21  ASN 117          HD21      ASN 117  -0.154   9.136   3.778
  722   HD22  ASN 117          HD22      ASN 117   0.819   7.732   4.205
  723    H    GLU 118           H        GLU 118   1.157  13.476   6.734
  724    HA   GLU 118           HA       GLU 118  -1.484  14.699   6.701
  725    HB2  GLU 118           HB2      GLU 118   1.079  15.158   8.258
  726    HB3  GLU 118           HB3      GLU 118  -0.400  16.060   8.569
  727    HG2  GLU 118           HG2      GLU 118  -1.616  14.150   9.259
  728    HG3  GLU 118           HG3      GLU 118  -0.457  13.023   8.577
  729    H    TYR 119           H        TYR 119  -0.268  15.049   4.235
  730    HA   TYR 119           HA       TYR 119   0.421  16.338   2.592
  731    HB2  TYR 119           HB2      TYR 119  -0.088  18.546   2.245
  732    HB3  TYR 119           HB3      TYR 119  -1.438  17.782   3.041
  733    HD1  TYR 119           HD1      TYR 119   1.633  19.819   4.077
  734    HD2  TYR 119           HD2      TYR 119  -2.632  19.235   4.355
  735    HE1  TYR 119           HE1      TYR 119   1.462  21.785   5.549
  736    HE2  TYR 119           HE2      TYR 119  -2.798  21.220   5.844
  737    HH   TYR 119           HH       TYR 119   0.089  23.019   6.936
  738    H    ALA 120           H        ALA 120   2.223  17.195   1.708
  739    HA   ALA 120           HA       ALA 120   4.515  17.303   3.614
  740    HB1  ALA 120           HB1      ALA 120   4.050  15.091   2.603
  741    HB2  ALA 120           HB2      ALA 120   5.621  15.763   2.132
  742    HB3  ALA 120           HB3      ALA 120   4.251  15.798   0.994
  743    H    TYR 121           H        TYR 121   3.872  19.672   3.165
  744    HA   TYR 121           HA       TYR 121   6.213  20.751   1.863
  745    HB2  TYR 121           HB2      TYR 121   4.641  20.962  -0.016
  746    HB3  TYR 121           HB3      TYR 121   3.424  21.667   1.041
  747    HD1  TYR 121           HD1      TYR 121   7.081  22.318   0.308
  748    HD2  TYR 121           HD2      TYR 121   3.107  23.953   0.653
  749    HE1  TYR 121           HE1      TYR 121   7.962  24.589  -0.211
  750    HE2  TYR 121           HE2      TYR 121   4.008  26.222   0.134
  751    HH   TYR 121           HH       TYR 121   5.851  27.480  -0.387
  752    H1   ACE   6           H1       ACE   6  22.626  -1.869  -2.109
  753    H2   ACE   6           H2       ACE   6  21.672  -0.418  -1.730
  754    H3   ACE   6           H3       ACE   6  23.451  -0.336  -1.758
  755    H    THR   7           H        THR   7  21.002  -1.703  -3.922
  756    HA   THR   7           HA       THR   7  21.875   0.017  -6.175
  757    HB   THR   7           HB       THR   7  23.239  -2.124  -6.016
  758    HG1  THR   7           HG1      THR   7  22.915  -2.633  -8.242
  759   HG21  THR   7          HG21      THR   7  20.724  -3.494  -7.049
  760   HG22  THR   7          HG22      THR   7  22.295  -4.221  -6.645
  761   HG23  THR   7          HG23      THR   7  21.269  -3.598  -5.360
  762    H    THR   8           H        THR   8  19.362  -1.196  -4.531
  763    HA   THR   8           HA       THR   8  17.430  -0.447  -6.628
  764    HB   THR   8           HB       THR   8  18.074  -3.048  -6.500
  765    HG1  THR   8           HG1      THR   8  16.228  -3.414  -7.589
  766   HG21  THR   8          HG21      THR   8  17.220  -3.367  -4.180
  767   HG22  THR   8          HG22      THR   8  15.592  -2.948  -4.770
  768   HG23  THR   8          HG23      THR   8  16.427  -4.382  -5.398
  769    HA   PRO   9           HA       PRO   9  14.917   1.432  -3.467
  770    HB2  PRO   9           HB2      PRO   9  12.818  -0.511  -4.467
  771    HB3  PRO   9           HB3      PRO   9  12.583   1.202  -3.994
  772    HG2  PRO   9           HG2      PRO   9  12.840   0.554  -6.591
  773    HG3  PRO   9           HG3      PRO   9  13.779   1.942  -5.960
  774    HD2  PRO   9           HD2      PRO   9  14.682  -0.855  -6.529
  775    HD3  PRO   9           HD3      PRO   9  15.560   0.679  -6.787
  776    H    ASP  10           H        ASP  10  13.570   1.097  -1.549
  777    HA   ASP  10           HA       ASP  10  13.931  -1.414  -0.037
  778    HB2  ASP  10           HB2      ASP  10  12.414   1.161   0.541
  779    HB3  ASP  10           HB3      ASP  10  12.415  -0.247   1.605
  780    H2   TYS  11           H2       TYS  11  12.846  -3.099  -0.962
  781    HA   TYS  11           HA       TYS  11  10.567  -2.636  -2.685
  782    HB2  TYS  11           HB2      TYS  11  12.500  -4.849  -2.136
  783    HB3  TYS  11           HB3      TYS  11  10.860  -5.447  -2.283
  784    HD1  TYS  11           HD1      TYS  11   9.569  -5.209  -4.251
  785    HD2  TYS  11           HD2      TYS  11  13.376  -3.241  -3.893
  786    HE1  TYS  11           HE1      TYS  11   9.270  -4.301  -6.403
  787    HE2  TYS  11           HE2      TYS  11  13.052  -2.267  -6.101
  788    H    GLY  12           H        GLY  12  10.944  -4.079   0.296
  789    HA2  GLY  12           HA2      GLY  12   8.634  -3.457   1.491
  790    HA3  GLY  12           HA3      GLY  12   8.204  -4.925   0.607
  791    H    HIS  13           H        HIS  13   8.069  -4.675   3.484
  792    HA   HIS  13           HA       HIS  13  10.029  -6.734   4.310
  793    HB2  HIS  13           HB2      HIS  13  10.573  -5.461   6.331
  794    HB3  HIS  13           HB3      HIS  13  11.186  -4.672   4.879
  795    HD1  HIS  13           HD1      HIS  13   9.888  -2.449   4.048
  796    HD2  HIS  13           HD2      HIS  13   8.433  -4.148   7.630
  797    HE1  HIS  13           HE1      HIS  13   7.998  -0.896   4.972
  798    HE2  HIS  13           HE2      HIS  13   7.502  -1.743   7.350
  799    H2   TYS  14           H2       TYS  14   9.442  -7.907   6.086
  800    HA   TYS  14           HA       TYS  14   6.573  -7.775   6.784
  801    HB2  TYS  14           HB2      TYS  14   8.748  -9.806   7.370
  802    HB3  TYS  14           HB3      TYS  14   7.139  -9.912   8.013
  803    HD1  TYS  14           HD1      TYS  14   8.849  -9.612   4.585
  804    HD2  TYS  14           HD2      TYS  14   5.389 -10.965   6.817
  805    HE1  TYS  14           HE1      TYS  14   8.348 -11.159   2.869
  806    HE2  TYS  14           HE2      TYS  14   4.864 -12.501   5.003
  807    H    ASP  15           H        ASP  15   5.690  -7.101   8.557
  808    HA   ASP  15           HA       ASP  15   7.511  -5.928  10.631
  809    HB2  ASP  15           HB2      ASP  15   6.472  -3.993  10.553
  810    HB3  ASP  15           HB3      ASP  15   5.992  -4.475   8.959
  811    H    ASP  16           H        ASP  16   6.693  -5.648  12.745
  812    HA   ASP  16           HA       ASP  16   4.190  -6.998  13.487
  813    HB2  ASP  16           HB2      ASP  16   6.741  -7.484  15.060
  814    HB3  ASP  16           HB3      ASP  16   5.168  -8.237  15.307
  815    H    LYS  17           H        LYS  17   5.085  -4.174  13.244
  816    HA   LYS  17           HA       LYS  17   4.746  -3.113  15.994
  817    HB2  LYS  17           HB2      LYS  17   6.965  -1.970  15.966
  818    HB3  LYS  17           HB3      LYS  17   7.046  -3.716  16.167
  819    HG2  LYS  17           HG2      LYS  17   8.026  -4.080  14.097
  820    HG3  LYS  17           HG3      LYS  17   7.299  -2.654  13.358
  821    HD2  LYS  17           HD2      LYS  17   9.747  -2.425  13.623
  822    HD3  LYS  17           HD3      LYS  17   8.812  -1.169  14.412
  823    HE2  LYS  17           HE2      LYS  17  10.603  -1.725  15.873
  824    HE3  LYS  17           HE3      LYS  17   9.122  -2.326  16.620
  825    HZ1  LYS  17           HZ1      LYS  17  11.026  -3.990  15.059
  826    HZ2  LYS  17           HZ2      LYS  17   9.735  -4.571  15.913
  827    HZ3  LYS  17           HZ3      LYS  17  11.003  -3.882  16.692
  828    H    ASP  18           H        ASP  18   4.631  -2.518  12.633
  829    HA   ASP  18           HA       ASP  18   4.046   0.410  13.099
  830    HB2  ASP  18           HB2      ASP  18   5.087  -1.004  10.615
  831    HB3  ASP  18           HB3      ASP  18   4.673   0.706  10.714
  832    H    THR  19           H        THR  19   2.830  -2.605  12.147
  833    HA   THR  19           HA       THR  19   1.251  -2.433  10.085
  834    HB   THR  19           HB       THR  19   1.448  -4.478  11.264
  835    HG1  THR  19           HG1      THR  19  -0.097  -4.431  10.023
  836   HG21  THR  19          HG21      THR  19  -0.216  -3.389  13.505
  837   HG22  THR  19          HG22      THR  19   1.523  -3.775  13.574
  838   HG23  THR  19          HG23      THR  19   0.378  -5.068  13.266
  839    H    LEU  20           H        LEU  20  -0.736  -2.061   9.382
  840    HA   LEU  20           HA       LEU  20  -2.519  -0.205  10.838
  841    HB2  LEU  20           HB2      LEU  20  -1.944   0.434   8.517
  842    HB3  LEU  20           HB3      LEU  20  -2.376  -1.198   7.967
  843    HG   LEU  20           HG       LEU  20  -4.711  -0.770   8.709
  844   HD11  LEU  20          HD11      LEU  20  -4.390   1.043  10.328
  845   HD12  LEU  20          HD12      LEU  20  -5.443   1.575   9.017
  846   HD13  LEU  20          HD13      LEU  20  -3.744   2.104   9.055
  847   HD21  LEU  20          HD21      LEU  20  -3.854  -0.500   6.442
  848   HD22  LEU  20          HD22      LEU  20  -3.592   1.234   6.706
  849   HD23  LEU  20          HD23      LEU  20  -5.241   0.540   6.740
  850    H    ASP  21           H        ASP  21  -3.973  -1.183  11.985
  851    HA   ASP  21           HA       ASP  21  -5.082  -3.842  11.428
  852    HB2  ASP  21           HB2      ASP  21  -6.538  -3.315  13.370
  853    HB3  ASP  21           HB3      ASP  21  -4.813  -3.334  13.716
  854    H    LEU  22           H        LEU  22  -6.746  -4.215  10.333
  855    HA   LEU  22           HA       LEU  22  -8.581  -2.159   9.200
  856    HB2  LEU  22           HB2      LEU  22  -7.318  -4.731   8.301
  857    HB3  LEU  22           HB3      LEU  22  -8.968  -4.487   7.767
  858    HG   LEU  22           HG       LEU  22  -8.381  -2.397   6.662
  859   HD11  LEU  22          HD11      LEU  22  -6.631  -1.525   8.016
  860   HD12  LEU  22          HD12      LEU  22  -5.927  -1.856   6.430
  861   HD13  LEU  22          HD13      LEU  22  -5.618  -2.972   7.789
  862   HD21  LEU  22          HD21      LEU  22  -6.496  -4.713   6.067
  863   HD22  LEU  22          HD22      LEU  22  -6.834  -3.364   4.955
  864   HD23  LEU  22          HD23      LEU  22  -8.135  -4.475   5.412
  865    H    ASN  23           H        ASN  23  -8.960  -3.181  11.971
  866    HA   ASN  23           HA       ASN  23 -11.671  -4.305  11.718
  867    HB2  ASN  23           HB2      ASN  23 -11.242  -5.933  13.463
  868    HB3  ASN  23           HB3      ASN  23 -10.196  -6.251  12.084
  869   HD21  ASN  23          HD21      ASN  23  -7.881  -5.945  12.346
  870   HD22  ASN  23          HD22      ASN  23  -7.225  -5.692  13.956
  871    H    THR  24           H        THR  24 -12.960  -3.827  13.335
  872    HA   THR  24           HA       THR  24 -12.546  -2.228  15.644
  873    HB   THR  24           HB       THR  24 -11.688  -0.499  14.324
  874    HG1  THR  24           HG1      THR  24 -12.841   1.003  15.055
  875   HG21  THR  24          HG21      THR  24 -12.769   0.556  12.432
  876   HG22  THR  24          HG22      THR  24 -12.483  -1.149  12.071
  877   HG23  THR  24          HG23      THR  24 -14.119  -0.592  12.507
  878    HA   PRO  25           HA       PRO  25 -16.963  -1.520  14.473
  879    HB2  PRO  25           HB2      PRO  25 -18.419  -2.991  12.702
  880    HB3  PRO  25           HB3      PRO  25 -17.278  -1.700  12.218
  881    HG2  PRO  25           HG2      PRO  25 -16.810  -4.686  12.303
  882    HG3  PRO  25           HG3      PRO  25 -16.377  -3.530  10.999
  883    HD2  PRO  25           HD2      PRO  25 -14.612  -4.386  12.883
  884    HD3  PRO  25           HD3      PRO  25 -14.521  -2.764  12.129
  885    H    VAL  26           H        VAL  26 -18.928  -1.933  15.393
  886    HA   VAL  26           HA       VAL  26 -19.834  -4.560  16.240
  887    HB   VAL  26           HB       VAL  26 -18.093  -4.097  17.951
  888   HG11  VAL  26          HG11      VAL  26 -18.332  -2.356  19.616
  889   HG12  VAL  26          HG12      VAL  26 -19.771  -1.710  18.811
  890   HG13  VAL  26          HG13      VAL  26 -18.183  -1.625  18.012
  891   HG21  VAL  26          HG21      VAL  26 -20.899  -3.983  19.103
  892   HG22  VAL  26          HG22      VAL  26 -19.427  -4.522  19.929
  893   HG23  VAL  26          HG23      VAL  26 -20.042  -5.445  18.555
  894    H    ASP  27           H        ASP  27 -21.937  -4.642  16.592
  895    HA   ASP  27           HA       ASP  27 -23.548  -2.222  17.062
  896    HB2  ASP  27           HB2      ASP  27 -23.552  -3.826  14.493
  897    HB3  ASP  27           HB3      ASP  27 -25.069  -3.192  15.097
  898    H    LYS  28           H        LYS  28 -25.760  -2.759  17.456
  899    HA   LYS  28           HA       LYS  28 -26.377  -5.499  18.423
  900    HB2  LYS  28           HB2      LYS  28 -25.215  -4.278  20.298
  901    HB3  LYS  28           HB3      LYS  28 -26.523  -3.091  20.284
  902    HG2  LYS  28           HG2      LYS  28 -28.143  -5.018  20.683
  903    HG3  LYS  28           HG3      LYS  28 -26.735  -6.085  20.833
  904    HD2  LYS  28           HD2      LYS  28 -25.922  -4.609  22.721
  905    HD3  LYS  28           HD3      LYS  28 -27.432  -3.702  22.612
  906    HE2  LYS  28           HE2      LYS  28 -27.134  -6.673  23.258
  907    HE3  LYS  28           HE3      LYS  28 -27.485  -5.381  24.412
  908    HZ1  LYS  28           HZ1      LYS  28 -29.523  -6.442  23.844
  909    HZ2  LYS  28           HZ2      LYS  28 -29.565  -4.976  23.127
  910    HZ3  LYS  28           HZ3      LYS  28 -29.258  -6.328  22.224
  911    HN1  NH2  29           HN1      NH2  29 -27.696  -5.313  16.500
  912    HN2  NH2  29           HN2      NH2  29 -29.234  -4.482  16.617
  Start of MODEL   17
    1    H1   ASN  31           H1       ASN  31   0.142  18.819 -23.073
    2    H2   ASN  31           H2       ASN  31  -0.274  20.316 -22.553
    3    H3   ASN  31           H3       ASN  31   1.320  19.890 -22.662
    4    HA   ASN  31           HA       ASN  31   1.028  18.188 -20.978
    5    HB2  ASN  31           HB2      ASN  31   0.307  21.048 -20.195
    6    HB3  ASN  31           HB3      ASN  31   0.658  19.778 -19.032
    7   HD21  ASN  31          HD21      ASN  31   2.527  21.087 -18.273
    8   HD22  ASN  31          HD22      ASN  31   3.962  21.177 -19.243
    9    H    SER  32           H        SER  32  -0.367  16.734 -20.175
   10    HA   SER  32           HA       SER  32  -3.297  17.400 -20.121
   11    HB2  SER  32           HB2      SER  32  -2.405  16.136 -22.168
   12    HB3  SER  32           HB3      SER  32  -2.149  14.769 -21.077
   13    HG   SER  32           HG       SER  32  -4.175  14.389 -21.579
   14    H    GLY  33           H        GLY  33  -0.723  16.017 -18.193
   15    HA2  GLY  33           HA2      GLY  33  -2.139  15.732 -15.897
   16    HA3  GLY  33           HA3      GLY  33  -2.551  14.235 -16.715
   17    H    LEU  34           H        LEU  34  -1.766  13.086 -15.090
   18    HA   LEU  34           HA       LEU  34   1.000  12.159 -15.301
   19    HB2  LEU  34           HB2      LEU  34  -0.309  13.132 -12.714
   20    HB3  LEU  34           HB3      LEU  34   0.985  11.959 -12.691
   21    HG   LEU  34           HG       LEU  34   1.226  14.800 -13.735
   22   HD11  LEU  34          HD11      LEU  34   2.644  15.138 -11.769
   23   HD12  LEU  34          HD12      LEU  34   2.371  13.457 -11.255
   24   HD13  LEU  34          HD13      LEU  34   1.023  14.615 -11.289
   25   HD21  LEU  34          HD21      LEU  34   2.803  13.328 -14.952
   26   HD22  LEU  34          HD22      LEU  34   3.345  12.614 -13.415
   27   HD23  LEU  34          HD23      LEU  34   3.676  14.317 -13.787
   28    HA   PRO  35           HA       PRO  35  -1.336   8.300 -14.404
   29    HB2  PRO  35           HB2      PRO  35   0.380   6.924 -12.710
   30    HB3  PRO  35           HB3      PRO  35   0.510   6.952 -14.475
   31    HG2  PRO  35           HG2      PRO  35   1.993   8.641 -12.461
   32    HG3  PRO  35           HG3      PRO  35   2.644   7.822 -13.916
   33    HD2  PRO  35           HD2      PRO  35   2.069  10.494 -13.903
   34    HD3  PRO  35           HD3      PRO  35   1.777   9.500 -15.344
   35    H    THR  36           H        THR  36   0.340   8.565 -11.252
   36    HA   THR  36           HA       THR  36  -0.569   8.457  -9.194
   37    HB   THR  36           HB       THR  36  -0.083  10.818  -9.607
   38    HG1  THR  36           HG1      THR  36  -1.540  11.455  -7.760
   39   HG21  THR  36          HG21      THR  36  -1.791  12.507  -9.665
   40   HG22  THR  36          HG22      THR  36  -3.077  11.285  -9.741
   41   HG23  THR  36          HG23      THR  36  -1.940  11.491 -11.092
   42    H    THR  37           H        THR  37  -1.943   6.813 -10.832
   43    HA   THR  37           HA       THR  37  -4.750   6.904  -9.847
   44    HB   THR  37           HB       THR  37  -5.051   5.135 -11.702
   45    HG1  THR  37           HG1      THR  37  -3.580   5.428 -13.443
   46   HG21  THR  37          HG21      THR  37  -5.340   6.827 -13.469
   47   HG22  THR  37          HG22      THR  37  -4.498   8.008 -12.463
   48   HG23  THR  37          HG23      THR  37  -6.028   7.324 -11.907
   49    H    LEU  38           H        LEU  38  -5.634   5.154  -8.883
   50    HA   LEU  38           HA       LEU  38  -4.067   3.275  -7.528
   51    HB2  LEU  38           HB2      LEU  38  -6.769   3.894  -7.705
   52    HB3  LEU  38           HB3      LEU  38  -6.727   2.222  -8.262
   53    HG   LEU  38           HG       LEU  38  -5.749   3.363  -5.634
   54   HD11  LEU  38          HD11      LEU  38  -8.003   1.420  -6.286
   55   HD12  LEU  38          HD12      LEU  38  -8.184   3.125  -5.817
   56   HD13  LEU  38          HD13      LEU  38  -7.537   1.956  -4.659
   57   HD21  LEU  38          HD21      LEU  38  -5.634   0.469  -6.607
   58   HD22  LEU  38          HD22      LEU  38  -5.362   0.985  -4.924
   59   HD23  LEU  38          HD23      LEU  38  -4.246   1.491  -6.191
   60    H    GLY  39           H        GLY  39  -5.414   2.897 -10.853
   61    HA2  GLY  39           HA2      GLY  39  -4.677   0.225 -11.341
   62    HA3  GLY  39           HA3      GLY  39  -4.690   1.504 -12.559
   63    H    LYS  40           H        LYS  40  -2.593   3.115 -12.024
   64    HA   LYS  40           HA       LYS  40  -0.352   1.487 -12.898
   65    HB2  LYS  40           HB2      LYS  40  -0.643   4.424 -12.125
   66    HB3  LYS  40           HB3      LYS  40   0.878   3.737 -12.695
   67    HG2  LYS  40           HG2      LYS  40  -1.707   3.595 -14.312
   68    HG3  LYS  40           HG3      LYS  40  -0.536   4.899 -14.460
   69    HD2  LYS  40           HD2      LYS  40   1.229   3.280 -15.110
   70    HD3  LYS  40           HD3      LYS  40   0.071   1.950 -14.944
   71    HE2  LYS  40           HE2      LYS  40  -1.376   3.041 -16.674
   72    HE3  LYS  40           HE3      LYS  40  -0.110   4.250 -16.933
   73    HZ1  LYS  40           HZ1      LYS  40   1.385   2.444 -17.588
   74    HZ2  LYS  40           HZ2      LYS  40   0.255   1.318 -17.236
   75    HZ3  LYS  40           HZ3      LYS  40   0.002   2.344 -18.490
   76    H    LEU  41           H        LEU  41  -1.077   3.147  -9.843
   77    HA   LEU  41           HA       LEU  41   1.184   2.217  -8.396
   78    HB2  LEU  41           HB2      LEU  41  -0.659   3.889  -7.696
   79    HB3  LEU  41           HB3      LEU  41  -1.614   2.476  -7.247
   80    HG   LEU  41           HG       LEU  41   0.582   1.801  -5.880
   81   HD11  LEU  41          HD11      LEU  41   0.862   4.819  -6.151
   82   HD12  LEU  41          HD12      LEU  41   2.021   3.599  -6.732
   83   HD13  LEU  41          HD13      LEU  41   1.737   3.805  -5.000
   84   HD21  LEU  41          HD21      LEU  41  -0.217   2.953  -3.912
   85   HD22  LEU  41          HD22      LEU  41  -1.576   2.317  -4.863
   86   HD23  LEU  41          HD23      LEU  41  -1.200   4.058  -4.912
   87    H    ASP  42           H        ASP  42  -2.009   0.537  -8.827
   88    HA   ASP  42           HA       ASP  42  -1.437  -1.721  -7.228
   89    HB2  ASP  42           HB2      ASP  42  -3.690  -1.336  -7.885
   90    HB3  ASP  42           HB3      ASP  42  -3.278  -1.297  -9.599
   91    H    GLU  43           H        GLU  43  -0.719  -1.210 -10.706
   92    HA   GLU  43           HA       GLU  43   0.250  -3.860 -11.222
   93    HB2  GLU  43           HB2      GLU  43  -0.210  -2.080 -12.959
   94    HB3  GLU  43           HB3      GLU  43   1.255  -1.249 -12.432
   95    HG2  GLU  43           HG2      GLU  43   2.523  -3.435 -12.955
   96    HG3  GLU  43           HG3      GLU  43   1.045  -4.003 -13.722
   97    H    ARG  44           H        ARG  44   1.893  -0.964  -9.929
   98    HA   ARG  44           HA       ARG  44   4.487  -2.232  -9.550
   99    HB2  ARG  44           HB2      ARG  44   3.198   0.373  -8.956
  100    HB3  ARG  44           HB3      ARG  44   4.262  -0.170  -7.656
  101    HG2  ARG  44           HG2      ARG  44   6.116  -0.428  -9.138
  102    HG3  ARG  44           HG3      ARG  44   5.134  -0.140 -10.575
  103    HD2  ARG  44           HD2      ARG  44   5.451   1.954  -8.410
  104    HD3  ARG  44           HD3      ARG  44   6.650   1.754  -9.680
  105    HE   ARG  44           HE       ARG  44   4.935   2.232 -11.367
  106   HH11  ARG  44          HH11      ARG  44   4.360   3.610  -8.131
  107   HH12  ARG  44          HH12      ARG  44   3.258   4.789  -8.822
  108   HH21  ARG  44          HH21      ARG  44   3.574   3.919 -12.059
  109   HH22  ARG  44          HH22      ARG  44   2.870   4.946 -10.830
  110    H    LEU  45           H        LEU  45   1.788  -1.620  -7.242
  111    HA   LEU  45           HA       LEU  45   3.140  -2.883  -5.042
  112    HB2  LEU  45           HB2      LEU  45   0.223  -2.230  -5.509
  113    HB3  LEU  45           HB3      LEU  45   0.873  -2.844  -3.988
  114    HG   LEU  45           HG       LEU  45   1.708  -0.218  -5.295
  115   HD11  LEU  45          HD11      LEU  45   0.513   0.762  -3.369
  116   HD12  LEU  45          HD12      LEU  45  -0.017  -0.861  -2.876
  117   HD13  LEU  45          HD13      LEU  45  -0.572  -0.175  -4.419
  118   HD21  LEU  45          HD21      LEU  45   2.755   0.225  -3.049
  119   HD22  LEU  45          HD22      LEU  45   3.585  -0.994  -4.002
  120   HD23  LEU  45          HD23      LEU  45   2.534  -1.489  -2.657
  121    H    ARG  46           H        ARG  46   0.759  -4.403  -7.306
  122    HA   ARG  46           HA       ARG  46   0.984  -6.884  -5.803
  123    HB2  ARG  46           HB2      ARG  46  -0.465  -7.819  -7.233
  124    HB3  ARG  46           HB3      ARG  46  -1.029  -6.171  -7.099
  125    HG2  ARG  46           HG2      ARG  46  -0.203  -5.699  -9.392
  126    HG3  ARG  46           HG3      ARG  46   0.526  -7.307  -9.473
  127    HD2  ARG  46           HD2      ARG  46  -1.617  -7.319 -10.645
  128    HD3  ARG  46           HD3      ARG  46  -1.658  -8.368  -9.240
  129    HE   ARG  46           HE       ARG  46  -2.742  -5.582  -8.995
  130   HH11  ARG  46          HH11      ARG  46  -3.630  -9.023  -9.297
  131   HH12  ARG  46          HH12      ARG  46  -5.249  -8.641  -8.745
  132   HH21  ARG  46          HH21      ARG  46  -4.700  -5.352  -8.159
  133   HH22  ARG  46          HH22      ARG  46  -5.871  -6.695  -8.202
  134    H    ASN  47           H        ASN  47   2.915  -5.430  -8.282
  135    HA   ASN  47           HA       ASN  47   4.569  -7.831  -8.673
  136    HB2  ASN  47           HB2      ASN  47   4.818  -4.927  -9.463
  137    HB3  ASN  47           HB3      ASN  47   6.235  -5.944  -9.421
  138   HD21  ASN  47          HD21      ASN  47   3.803  -4.924 -11.436
  139   HD22  ASN  47          HD22      ASN  47   4.041  -6.169 -12.668
  140    H    TYR  48           H        TYR  48   4.727  -4.996  -6.401
  141    HA   TYR  48           HA       TYR  48   7.235  -5.516  -5.425
  142    HB2  TYR  48           HB2      TYR  48   4.844  -4.258  -4.180
  143    HB3  TYR  48           HB3      TYR  48   6.150  -4.664  -3.183
  144    HD1  TYR  48           HD1      TYR  48   8.296  -3.541  -3.364
  145    HD2  TYR  48           HD2      TYR  48   4.926  -2.249  -5.621
  146    HE1  TYR  48           HE1      TYR  48   9.372  -1.267  -3.695
  147    HE2  TYR  48           HE2      TYR  48   5.868   0.030  -5.805
  148    HH   TYR  48           HH       TYR  48   9.106   0.745  -4.598
  149    H    LEU  49           H        LEU  49   4.293  -7.150  -4.174
  150    HA   LEU  49           HA       LEU  49   5.776  -8.651  -2.227
  151    HB2  LEU  49           HB2      LEU  49   3.219  -9.376  -3.713
  152    HB3  LEU  49           HB3      LEU  49   3.884 -10.325  -2.381
  153    HG   LEU  49           HG       LEU  49   3.077  -7.427  -2.127
  154   HD11  LEU  49          HD11      LEU  49   1.620 -10.027  -1.489
  155   HD12  LEU  49          HD12      LEU  49   1.113  -8.755  -2.624
  156   HD13  LEU  49          HD13      LEU  49   1.105  -8.451  -0.875
  157   HD21  LEU  49          HD21      LEU  49   3.115  -7.806   0.278
  158   HD22  LEU  49          HD22      LEU  49   4.704  -8.157  -0.399
  159   HD23  LEU  49          HD23      LEU  49   3.605  -9.491   0.037
  160    H    LYS  50           H        LYS  50   5.125  -9.488  -5.663
  161    HA   LYS  50           HA       LYS  50   6.382 -12.105  -5.449
  162    HB2  LYS  50           HB2      LYS  50   6.061 -10.387  -7.936
  163    HB3  LYS  50           HB3      LYS  50   6.352 -12.132  -7.820
  164    HG2  LYS  50           HG2      LYS  50   4.154 -12.523  -6.876
  165    HG3  LYS  50           HG3      LYS  50   3.803 -10.794  -6.818
  166    HD2  LYS  50           HD2      LYS  50   4.345 -12.339  -9.391
  167    HD3  LYS  50           HD3      LYS  50   2.737 -11.980  -8.743
  168    HE2  LYS  50           HE2      LYS  50   3.258  -9.544  -8.826
  169    HE3  LYS  50           HE3      LYS  50   4.824  -9.902  -9.570
  170    HZ1  LYS  50           HZ1      LYS  50   2.221 -10.682 -10.754
  171    HZ2  LYS  50           HZ2      LYS  50   3.677 -10.842 -11.452
  172    HZ3  LYS  50           HZ3      LYS  50   3.045  -9.334 -11.189
  173    H    LYS  51           H        LYS  51   7.527  -8.954  -6.573
  174    HA   LYS  51           HA       LYS  51  10.290  -9.586  -7.073
  175    HB2  LYS  51           HB2      LYS  51   8.760  -7.073  -6.476
  176    HB3  LYS  51           HB3      LYS  51  10.519  -7.075  -6.705
  177    HG2  LYS  51           HG2      LYS  51  10.267  -7.949  -8.959
  178    HG3  LYS  51           HG3      LYS  51   8.492  -8.003  -8.772
  179    HD2  LYS  51           HD2      LYS  51   8.391  -5.625  -8.489
  180    HD3  LYS  51           HD3      LYS  51  10.151  -5.467  -8.453
  181    HE2  LYS  51           HE2      LYS  51   8.571  -6.454 -10.861
  182    HE3  LYS  51           HE3      LYS  51   8.958  -4.755 -10.550
  183    HZ1  LYS  51           HZ1      LYS  51  10.589  -5.625 -11.999
  184    HZ2  LYS  51           HZ2      LYS  51  11.342  -5.397 -10.547
  185    HZ3  LYS  51           HZ3      LYS  51  10.914  -6.914 -11.051
  186    H    GLY  52           H        GLY  52   8.604  -9.190  -4.046
  187    HA2  GLY  52           HA2      GLY  52  11.096  -8.362  -2.653
  188    HA3  GLY  52           HA3      GLY  52   9.439  -7.964  -2.267
  189    H    THR  53           H        THR  53   8.242 -10.579  -2.169
  190    HA   THR  53           HA       THR  53   9.238 -11.459   0.466
  191    HB   THR  53           HB       THR  53   7.128 -12.535   0.678
  192    HG1  THR  53           HG1      THR  53   6.488 -11.655  -1.981
  193   HG21  THR  53          HG21      THR  53   5.455 -10.754   0.390
  194   HG22  THR  53          HG22      THR  53   6.690  -9.754  -0.417
  195   HG23  THR  53          HG23      THR  53   6.904 -10.291   1.265
  196    H    LYS  54           H        LYS  54   9.222 -13.849   0.942
  197    HA   LYS  54           HA       LYS  54  10.619 -15.321  -1.114
  198    HB2  LYS  54           HB2      LYS  54   9.495 -16.253   1.554
  199    HB3  LYS  54           HB3      LYS  54  10.607 -17.163   0.527
  200    HG2  LYS  54           HG2      LYS  54  12.348 -15.480   0.767
  201    HG3  LYS  54           HG3      LYS  54  11.269 -14.415   1.685
  202    HD2  LYS  54           HD2      LYS  54  11.071 -16.100   3.468
  203    HD3  LYS  54           HD3      LYS  54  12.170 -17.179   2.568
  204    HE2  LYS  54           HE2      LYS  54  13.969 -15.528   2.700
  205    HE3  LYS  54           HE3      LYS  54  12.879 -14.346   3.449
  206    HZ1  LYS  54           HZ1      LYS  54  13.463 -16.960   4.713
  207    HZ2  LYS  54           HZ2      LYS  54  12.735 -15.660   5.391
  208    HZ3  LYS  54           HZ3      LYS  54  14.328 -15.589   5.047
  209    H    ASN  55           H        ASN  55   7.287 -15.378   0.072
  210    HA   ASN  55           HA       ASN  55   6.370 -16.656  -2.358
  211    HB2  ASN  55           HB2      ASN  55   4.925 -18.186  -0.802
  212    HB3  ASN  55           HB3      ASN  55   6.583 -18.691  -1.162
  213   HD21  ASN  55          HD21      ASN  55   4.204 -18.245   1.117
  214   HD22  ASN  55          HD22      ASN  55   5.198 -18.503   2.532
  215    H    SER  56           H        SER  56   5.485 -14.764  -2.866
  216    HA   SER  56           HA       SER  56   3.742 -13.078  -1.551
  217    HB2  SER  56           HB2      SER  56   4.759 -12.679  -3.710
  218    HB3  SER  56           HB3      SER  56   3.804 -13.962  -4.458
  219    HG   SER  56           HG       SER  56   2.015 -12.739  -4.350
  220    H    ALA  57           H        ALA  57   2.812 -16.289  -2.824
  221    HA   ALA  57           HA       ALA  57   0.135 -15.766  -3.354
  222    HB1  ALA  57           HB1      ALA  57  -0.119 -18.229  -3.290
  223    HB2  ALA  57           HB2      ALA  57   1.443 -18.365  -2.449
  224    HB3  ALA  57           HB3      ALA  57   1.358 -17.735  -4.118
  225    H    GLN  58           H        GLN  58   1.397 -16.024  -0.169
  226    HA   GLN  58           HA       GLN  58  -0.968 -17.014   1.197
  227    HB2  GLN  58           HB2      GLN  58   0.280 -16.385   3.217
  228    HB3  GLN  58           HB3      GLN  58   1.287 -17.303   2.096
  229    HG2  GLN  58           HG2      GLN  58   2.282 -15.115   1.288
  230    HG3  GLN  58           HG3      GLN  58   1.378 -14.271   2.492
  231   HE21  GLN  58          HE21      GLN  58   4.433 -15.496   1.900
  232   HE22  GLN  58          HE22      GLN  58   4.891 -15.765   3.560
  233    H    PHE  59           H        PHE  59   0.009 -13.881   0.010
  234    HA   PHE  59           HA       PHE  59  -1.513 -12.294   1.910
  235    HB2  PHE  59           HB2      PHE  59  -0.074 -11.651  -0.658
  236    HB3  PHE  59           HB3      PHE  59  -0.943 -10.459   0.296
  237    HD1  PHE  59           HD1      PHE  59  -0.220  -9.861   2.590
  238    HD2  PHE  59           HD2      PHE  59   2.126 -12.521   0.164
  239    HE1  PHE  59           HE1      PHE  59   1.695  -9.594   4.146
  240    HE2  PHE  59           HE2      PHE  59   4.018 -12.303   1.736
  241    HZ   PHE  59           HZ       PHE  59   3.811 -10.847   3.729
  242    H    GLU  60           H        GLU  60  -3.432 -11.071   1.506
  243    HA   GLU  60           HA       GLU  60  -5.087 -12.050  -0.805
  244    HB2  GLU  60           HB2      GLU  60  -6.982 -12.364   0.424
  245    HB3  GLU  60           HB3      GLU  60  -5.715 -13.211   1.319
  246    HG2  GLU  60           HG2      GLU  60  -5.573 -11.324   2.891
  247    HG3  GLU  60           HG3      GLU  60  -6.827 -10.445   2.014
  248    H    LYS  61           H        LYS  61  -4.352  -9.364   1.353
  249    HA   LYS  61           HA       LYS  61  -5.338  -7.565  -0.746
  250    HB2  LYS  61           HB2      LYS  61  -6.815  -6.283   0.588
  251    HB3  LYS  61           HB3      LYS  61  -7.317  -7.953   0.717
  252    HG2  LYS  61           HG2      LYS  61  -6.467  -8.107   3.001
  253    HG3  LYS  61           HG3      LYS  61  -5.682  -6.527   2.867
  254    HD2  LYS  61           HD2      LYS  61  -7.696  -5.356   2.802
  255    HD3  LYS  61           HD3      LYS  61  -8.647  -6.757   2.351
  256    HE2  LYS  61           HE2      LYS  61  -7.275  -6.444   5.051
  257    HE3  LYS  61           HE3      LYS  61  -8.924  -5.905   4.714
  258    HZ1  LYS  61           HZ1      LYS  61  -7.961  -8.695   4.665
  259    HZ2  LYS  61           HZ2      LYS  61  -9.467  -8.251   4.143
  260    HZ3  LYS  61           HZ3      LYS  61  -9.016  -8.041   5.707
  261    H    MET  62           H        MET  62  -5.042  -5.338  -0.206
  262    HA   MET  62           HA       MET  62  -2.646  -4.692   1.423
  263    HB2  MET  62           HB2      MET  62  -1.571  -3.516  -0.365
  264    HB3  MET  62           HB3      MET  62  -1.899  -5.169  -0.889
  265    HG2  MET  62           HG2      MET  62  -3.790  -4.431  -2.239
  266    HG3  MET  62           HG3      MET  62  -3.575  -2.763  -1.680
  267    HE1  MET  62           HE1      MET  62  -3.572  -1.962  -4.217
  268    HE2  MET  62           HE2      MET  62  -3.681  -3.633  -4.841
  269    HE3  MET  62           HE3      MET  62  -2.420  -2.545  -5.437
  270    H    VAL  63           H        VAL  63  -2.367  -2.419   1.840
  271    HA   VAL  63           HA       VAL  63  -4.595  -0.597   1.246
  272    HB   VAL  63           HB       VAL  63  -5.163  -1.725   3.395
  273   HG11  VAL  63          HG11      VAL  63  -3.885  -1.701   5.243
  274   HG12  VAL  63          HG12      VAL  63  -2.900  -0.294   4.734
  275   HG13  VAL  63          HG13      VAL  63  -2.651  -1.877   4.005
  276   HG21  VAL  63          HG21      VAL  63  -5.657   0.233   4.733
  277   HG22  VAL  63          HG22      VAL  63  -5.956   0.613   3.034
  278   HG23  VAL  63          HG23      VAL  63  -4.491   1.215   3.830
  279    H    ILE  64           H        ILE  64  -4.003   1.555   1.260
  280    HA   ILE  64           HA       ILE  64  -1.055   2.143   1.307
  281    HB   ILE  64           HB       ILE  64  -3.186   3.040  -0.663
  282   HG12  ILE  64          HG12      ILE  64  -0.981   1.313  -1.688
  283   HG13  ILE  64          HG13      ILE  64  -2.183   0.463  -0.747
  284   HG21  ILE  64          HG21      ILE  64  -0.155   3.373  -0.750
  285   HG22  ILE  64          HG22      ILE  64  -1.341   4.660  -0.445
  286   HG23  ILE  64          HG23      ILE  64  -1.288   3.876  -2.021
  287   HD11  ILE  64          HD11      ILE  64  -3.992   1.178  -2.143
  288   HD12  ILE  64          HD12      ILE  64  -2.712   0.504  -3.169
  289   HD13  ILE  64          HD13      ILE  64  -2.933   2.268  -3.058
  290    H    LEU  65           H        LEU  65  -0.525   3.999   2.359
  291    HA   LEU  65           HA       LEU  65  -2.666   6.014   2.951
  292    HB2  LEU  65           HB2      LEU  65  -0.173   5.575   4.626
  293    HB3  LEU  65           HB3      LEU  65  -1.530   6.635   4.955
  294    HG   LEU  65           HG       LEU  65  -1.664   3.596   4.950
  295   HD11  LEU  65          HD11      LEU  65  -1.840   3.794   7.372
  296   HD12  LEU  65          HD12      LEU  65  -1.818   5.571   7.266
  297   HD13  LEU  65          HD13      LEU  65  -0.370   4.641   6.851
  298   HD21  LEU  65          HD21      LEU  65  -3.758   5.619   5.791
  299   HD22  LEU  65          HD22      LEU  65  -3.847   3.849   5.979
  300   HD23  LEU  65          HD23      LEU  65  -3.844   4.564   4.362
  301    H    THR  66           H        THR  66  -2.418   7.751   1.764
  302    HA   THR  66           HA       THR  66   0.270   8.375   0.603
  303    HB   THR  66           HB       THR  66  -0.863   9.623  -1.107
  304    HG1  THR  66           HG1      THR  66  -2.648  10.389  -0.068
  305   HG21  THR  66          HG21      THR  66  -0.587   7.184  -1.472
  306   HG22  THR  66          HG22      THR  66  -1.975   7.874  -2.336
  307   HG23  THR  66          HG23      THR  66  -2.244   6.931  -0.856
  308    H    GLU  67           H        GLU  67   0.660  10.785   0.209
  309    HA   GLU  67           HA       GLU  67   0.089  12.421   2.472
  310    HB2  GLU  67           HB2      GLU  67   0.518  13.531  -0.308
  311    HB3  GLU  67           HB3      GLU  67   0.846  14.291   1.247
  312    HG2  GLU  67           HG2      GLU  67   2.539  12.294   1.583
  313    HG3  GLU  67           HG3      GLU  67   2.383  12.085  -0.153
  314    H    ASN  68           H        ASN  68  -1.307  14.401   2.455
  315    HA   ASN  68           HA       ASN  68  -3.326  15.426   2.406
  316    HB2  ASN  68           HB2      ASN  68  -3.552  14.339  -0.399
  317    HB3  ASN  68           HB3      ASN  68  -4.285  15.803   0.215
  318   HD21  ASN  68          HD21      ASN  68  -1.930  14.873  -1.774
  319   HD22  ASN  68          HD22      ASN  68  -0.650  16.043  -1.361
  320    H    LYS  69           H        LYS  69  -3.438  13.030   3.732
  321    HA   LYS  69           HA       LYS  69  -4.881  11.714   4.806
  322    HB2  LYS  69           HB2      LYS  69  -7.136  13.467   3.779
  323    HB3  LYS  69           HB3      LYS  69  -7.020  12.628   5.324
  324    HG2  LYS  69           HG2      LYS  69  -5.174  14.188   6.000
  325    HG3  LYS  69           HG3      LYS  69  -5.361  15.046   4.460
  326    HD2  LYS  69           HD2      LYS  69  -7.750  15.484   5.042
  327    HD3  LYS  69           HD3      LYS  69  -7.439  14.777   6.652
  328    HE2  LYS  69           HE2      LYS  69  -5.553  16.438   6.912
  329    HE3  LYS  69           HE3      LYS  69  -6.035  17.156   5.372
  330    HZ1  LYS  69           HZ1      LYS  69  -7.092  18.441   7.042
  331    HZ2  LYS  69           HZ2      LYS  69  -7.594  17.116   7.900
  332    HZ3  LYS  69           HZ3      LYS  69  -8.301  17.502   6.481
  333    H    GLY  70           H        GLY  70  -4.387  11.023   2.004
  334    HA2  GLY  70           HA2      GLY  70  -6.727   9.490   1.165
  335    HA3  GLY  70           HA3      GLY  70  -5.120   9.397   0.460
  336    H    TYR  71           H        TYR  71  -7.220   7.504   1.457
  337    HA   TYR  71           HA       TYR  71  -5.418   5.445   2.592
  338    HB2  TYR  71           HB2      TYR  71  -6.608   6.397   4.513
  339    HB3  TYR  71           HB3      TYR  71  -8.145   6.212   3.697
  340    HD1  TYR  71           HD1      TYR  71  -8.860   3.727   3.061
  341    HD2  TYR  71           HD2      TYR  71  -5.969   4.739   6.126
  342    HE1  TYR  71           HE1      TYR  71  -9.306   1.582   4.225
  343    HE2  TYR  71           HE2      TYR  71  -6.493   2.656   7.297
  344    HH   TYR  71           HH       TYR  71  -7.785   0.794   7.381
  345    H    TYR  72           H        TYR  72  -5.568   3.727   1.201
  346    HA   TYR  72           HA       TYR  72  -8.109   3.230  -0.327
  347    HB2  TYR  72           HB2      TYR  72  -5.305   3.309  -1.514
  348    HB3  TYR  72           HB3      TYR  72  -6.786   2.920  -2.367
  349    HD1  TYR  72           HD1      TYR  72  -8.386   4.668  -3.011
  350    HD2  TYR  72           HD2      TYR  72  -4.721   5.624  -0.939
  351    HE1  TYR  72           HE1      TYR  72  -8.677   7.058  -3.608
  352    HE2  TYR  72           HE2      TYR  72  -5.017   8.029  -1.535
  353    HH   TYR  72           HH       TYR  72  -7.849   9.166  -3.407
  354    H    THR  73           H        THR  73  -8.486   1.003  -0.808
  355    HA   THR  73           HA       THR  73  -6.359  -0.917  -0.085
  356    HB   THR  73           HB       THR  73  -7.486  -0.626   2.024
  357    HG1  THR  73           HG1      THR  73  -6.789  -2.706   1.311
  358   HG21  THR  73          HG21      THR  73 -10.056  -1.470   0.631
  359   HG22  THR  73          HG22      THR  73  -9.724   0.109   1.370
  360   HG23  THR  73          HG23      THR  73  -9.817  -1.339   2.385
  361    H    VAL  74           H        VAL  74  -6.486  -2.943  -1.000
  362    HA   VAL  74           HA       VAL  74  -8.615  -3.484  -3.005
  363    HB   VAL  74           HB       VAL  74  -5.649  -3.354  -3.679
  364   HG11  VAL  74          HG11      VAL  74  -6.743  -5.111  -4.975
  365   HG12  VAL  74          HG12      VAL  74  -6.393  -3.748  -6.022
  366   HG13  VAL  74          HG13      VAL  74  -8.054  -3.998  -5.439
  367   HG21  VAL  74          HG21      VAL  74  -7.911  -1.529  -4.587
  368   HG22  VAL  74          HG22      VAL  74  -6.274  -1.553  -5.279
  369   HG23  VAL  74          HG23      VAL  74  -6.502  -1.071  -3.602
  370    H    TYR  75           H        TYR  75  -9.081  -5.656  -3.095
  371    HA   TYR  75           HA       TYR  75  -7.351  -7.600  -1.685
  372    HB2  TYR  75           HB2      TYR  75 -10.052  -7.743  -2.986
  373    HB3  TYR  75           HB3      TYR  75  -9.100  -9.204  -2.766
  374    HD1  TYR  75           HD1      TYR  75 -10.711  -6.392  -0.902
  375    HD2  TYR  75           HD2      TYR  75  -8.827 -10.263  -0.646
  376    HE1  TYR  75           HE1      TYR  75 -11.519  -6.624   1.427
  377    HE2  TYR  75           HE2      TYR  75  -9.603 -10.473   1.710
  378    HH   TYR  75           HH       TYR  75 -11.635  -8.011   3.296
  379    H    LEU  76           H        LEU  76  -5.887  -8.812  -2.589
  380    HA   LEU  76           HA       LEU  76  -4.933  -8.148  -5.274
  381    HB2  LEU  76           HB2      LEU  76  -3.933  -9.899  -2.991
  382    HB3  LEU  76           HB3      LEU  76  -3.038  -9.707  -4.492
  383    HG   LEU  76           HG       LEU  76  -3.805  -7.326  -2.742
  384   HD11  LEU  76          HD11      LEU  76  -1.463  -7.422  -1.950
  385   HD12  LEU  76          HD12      LEU  76  -1.257  -8.982  -2.777
  386   HD13  LEU  76          HD13      LEU  76  -2.407  -8.829  -1.430
  387   HD21  LEU  76          HD21      LEU  76  -3.226  -6.733  -5.072
  388   HD22  LEU  76          HD22      LEU  76  -1.742  -7.706  -4.963
  389   HD23  LEU  76          HD23      LEU  76  -1.934  -6.243  -3.978
  390    H    ASN  77           H        ASN  77  -7.027 -10.577  -4.176
  391    HA   ASN  77           HA       ASN  77  -6.124 -12.852  -5.625
  392    HB2  ASN  77           HB2      ASN  77  -8.973 -12.148  -4.835
  393    HB3  ASN  77           HB3      ASN  77  -8.346 -13.763  -5.126
  394   HD21  ASN  77          HD21      ASN  77  -9.617 -12.375  -2.755
  395   HD22  ASN  77          HD22      ASN  77  -8.577 -12.892  -1.438
  396    H    THR  78           H        THR  78  -7.416 -10.023  -6.988
  397    HA   THR  78           HA       THR  78  -8.267 -11.355  -9.499
  398    HB   THR  78           HB       THR  78 -10.236  -9.897  -9.635
  399    HG1  THR  78           HG1      THR  78 -10.858  -8.659  -7.938
  400   HG21  THR  78          HG21      THR  78 -10.304 -11.382  -6.965
  401   HG22  THR  78          HG22      THR  78 -10.493 -12.155  -8.547
  402   HG23  THR  78          HG23      THR  78 -11.679 -10.954  -8.003
  403    HA   PRO  79           HA       PRO  79  -6.274  -7.591 -11.268
  404    HB2  PRO  79           HB2      PRO  79  -8.198  -8.158 -13.504
  405    HB3  PRO  79           HB3      PRO  79  -6.438  -7.852 -13.590
  406    HG2  PRO  79           HG2      PRO  79  -7.411 -10.353 -13.934
  407    HG3  PRO  79           HG3      PRO  79  -5.954 -10.094 -12.908
  408    HD2  PRO  79           HD2      PRO  79  -8.830 -10.389 -11.995
  409    HD3  PRO  79           HD3      PRO  79  -7.362 -11.247 -11.421
  410    H    LEU  80           H        LEU  80  -6.992  -5.410 -11.053
  411    HA   LEU  80           HA       LEU  80  -9.646  -5.063  -9.953
  412    HB2  LEU  80           HB2      LEU  80  -9.005  -2.984  -9.251
  413    HB3  LEU  80           HB3      LEU  80  -7.530  -3.924  -9.148
  414    HG   LEU  80           HG       LEU  80  -8.239  -1.864 -11.295
  415   HD11  LEU  80          HD11      LEU  80  -7.700  -0.983  -9.017
  416   HD12  LEU  80          HD12      LEU  80  -6.524  -0.506 -10.246
  417   HD13  LEU  80          HD13      LEU  80  -6.132  -1.805  -9.098
  418   HD21  LEU  80          HD21      LEU  80  -5.678  -3.482 -10.920
  419   HD22  LEU  80          HD22      LEU  80  -5.852  -2.082 -11.992
  420   HD23  LEU  80          HD23      LEU  80  -6.778  -3.543 -12.322
  421    H    ALA  81           H        ALA  81 -11.189  -3.428 -10.542
  422    HA   ALA  81           HA       ALA  81 -11.993  -3.738 -13.287
  423    HB1  ALA  81           HB1      ALA  81 -13.242  -2.143 -11.009
  424    HB2  ALA  81           HB2      ALA  81 -13.468  -3.888 -11.275
  425    HB3  ALA  81           HB3      ALA  81 -14.058  -2.744 -12.469
  426    H    GLU  82           H        GLU  82 -12.538  -2.085 -14.821
  427    HA   GLU  82           HA       GLU  82 -10.445  -0.264 -15.183
  428    HB2  GLU  82           HB2      GLU  82 -11.372   0.333 -17.233
  429    HB3  GLU  82           HB3      GLU  82 -11.716  -1.373 -16.975
  430    HG2  GLU  82           HG2      GLU  82 -14.062  -0.763 -16.329
  431    HG3  GLU  82           HG3      GLU  82 -13.688   0.935 -16.633
  432    H    ASP  83           H        ASP  83 -13.393   0.518 -13.445
  433    HA   ASP  83           HA       ASP  83 -13.082   3.420 -13.640
  434    HB2  ASP  83           HB2      ASP  83 -14.370   1.531 -11.651
  435    HB3  ASP  83           HB3      ASP  83 -14.208   3.245 -11.289
  436    H    ARG  84           H        ARG  84 -11.804   0.905 -11.446
  437    HA   ARG  84           HA       ARG  84 -10.332   2.792  -9.761
  438    HB2  ARG  84           HB2      ARG  84 -10.253  -0.255  -9.957
  439    HB3  ARG  84           HB3      ARG  84  -9.345   0.720  -8.797
  440    HG2  ARG  84           HG2      ARG  84 -11.518   1.711  -7.986
  441    HG3  ARG  84           HG3      ARG  84 -12.370   0.549  -9.020
  442    HD2  ARG  84           HD2      ARG  84 -11.223  -1.317  -7.786
  443    HD3  ARG  84           HD3      ARG  84 -10.434  -0.123  -6.756
  444    HE   ARG  84           HE       ARG  84 -12.446   0.338  -5.659
  445   HH11  ARG  84          HH11      ARG  84 -13.162  -2.033  -8.177
  446   HH12  ARG  84          HH12      ARG  84 -14.881  -1.908  -7.896
  447   HH21  ARG  84          HH21      ARG  84 -14.534   0.312  -5.255
  448   HH22  ARG  84          HH22      ARG  84 -15.650  -0.649  -6.212
  449    H    LYS  85           H        LYS  85  -9.629   1.113 -12.728
  450    HA   LYS  85           HA       LYS  85  -6.759   1.411 -12.665
  451    HB2  LYS  85           HB2      LYS  85  -8.670   1.388 -15.025
  452    HB3  LYS  85           HB3      LYS  85  -6.905   1.368 -15.147
  453    HG2  LYS  85           HG2      LYS  85  -6.880  -0.738 -13.742
  454    HG3  LYS  85           HG3      LYS  85  -8.644  -0.769 -13.844
  455    HD2  LYS  85           HD2      LYS  85  -8.393  -0.730 -16.381
  456    HD3  LYS  85           HD3      LYS  85  -6.648  -0.945 -16.133
  457    HE2  LYS  85           HE2      LYS  85  -7.153  -3.047 -14.827
  458    HE3  LYS  85           HE3      LYS  85  -8.870  -2.829 -15.203
  459    HZ1  LYS  85           HZ1      LYS  85  -8.017  -4.291 -16.818
  460    HZ2  LYS  85           HZ2      LYS  85  -6.668  -3.385 -17.101
  461    HZ3  LYS  85           HZ3      LYS  85  -8.134  -2.857 -17.613
  462    H    ASN  86           H        ASN  86  -9.295   3.725 -12.975
  463    HA   ASN  86           HA       ASN  86  -7.363   5.891 -13.667
  464    HB2  ASN  86           HB2      ASN  86 -10.210   5.346 -14.593
  465    HB3  ASN  86           HB3      ASN  86  -9.368   6.869 -14.861
  466   HD21  ASN  86          HD21      ASN  86  -7.246   6.796 -16.009
  467   HD22  ASN  86          HD22      ASN  86  -7.102   5.553 -17.268
  468    H    VAL  87           H        VAL  87  -8.697   4.923 -10.891
  469    HA   VAL  87           HA       VAL  87  -9.997   7.474 -10.179
  470    HB   VAL  87           HB       VAL  87 -10.842   5.247  -9.405
  471   HG11  VAL  87          HG11      VAL  87  -8.691   4.227  -8.741
  472   HG12  VAL  87          HG12      VAL  87  -9.904   4.197  -7.448
  473   HG13  VAL  87          HG13      VAL  87  -8.575   5.375  -7.390
  474   HG21  VAL  87          HG21      VAL  87 -11.501   6.083  -7.218
  475   HG22  VAL  87          HG22      VAL  87 -11.524   7.398  -8.393
  476   HG23  VAL  87          HG23      VAL  87 -10.179   7.273  -7.233
  477    H    GLU  88           H        GLU  88  -9.039   9.121  -9.079
  478    HA   GLU  88           HA       GLU  88  -6.154   9.221  -9.207
  479    HB2  GLU  88           HB2      GLU  88  -7.505  11.053  -9.979
  480    HB3  GLU  88           HB3      GLU  88  -8.366  11.158  -8.437
  481    HG2  GLU  88           HG2      GLU  88  -6.370  11.865  -7.300
  482    HG3  GLU  88           HG3      GLU  88  -5.382  11.675  -8.764
  483    H    LEU  89           H        LEU  89  -4.692   9.190  -7.671
  484    HA   LEU  89           HA       LEU  89  -5.303   8.622  -4.852
  485    HB2  LEU  89           HB2      LEU  89  -2.720   9.087  -6.395
  486    HB3  LEU  89           HB3      LEU  89  -2.791   8.593  -4.713
  487    HG   LEU  89           HG       LEU  89  -3.920   6.917  -6.998
  488   HD11  LEU  89          HD11      LEU  89  -1.480   7.204  -7.226
  489   HD12  LEU  89          HD12      LEU  89  -1.920   5.554  -6.782
  490   HD13  LEU  89          HD13      LEU  89  -1.254   6.658  -5.552
  491   HD21  LEU  89          HD21      LEU  89  -3.233   6.246  -4.096
  492   HD22  LEU  89          HD22      LEU  89  -3.798   5.092  -5.322
  493   HD23  LEU  89          HD23      LEU  89  -4.877   6.378  -4.767
  494    H    LEU  90           H        LEU  90  -5.428  10.138  -3.304
  495    HA   LEU  90           HA       LEU  90  -5.349  12.925  -3.707
  496    HB2  LEU  90           HB2      LEU  90  -5.264  11.104  -1.295
  497    HB3  LEU  90           HB3      LEU  90  -5.151  12.841  -1.072
  498    HG   LEU  90           HG       LEU  90  -7.418  11.673  -2.719
  499   HD11  LEU  90          HD11      LEU  90  -7.314  12.058   0.300
  500   HD12  LEU  90          HD12      LEU  90  -7.530  10.529  -0.592
  501   HD13  LEU  90          HD13      LEU  90  -8.785  11.758  -0.647
  502   HD21  LEU  90          HD21      LEU  90  -7.041  14.118  -2.851
  503   HD22  LEU  90          HD22      LEU  90  -7.131  14.226  -1.081
  504   HD23  LEU  90          HD23      LEU  90  -8.555  13.737  -2.027
  505    H    GLY  91           H        GLY  91  -2.628  10.843  -2.987
  506    HA2  GLY  91           HA2      GLY  91  -0.747  13.036  -3.396
  507    HA3  GLY  91           HA3      GLY  91  -0.807  12.460  -1.734
  508    H    LYS  92           H        LYS  92   1.502  12.200  -2.481
  509    HA   LYS  92           HA       LYS  92   2.323  10.010  -4.112
  510    HB2  LYS  92           HB2      LYS  92   3.508  12.259  -3.040
  511    HB3  LYS  92           HB3      LYS  92   4.125  11.046  -1.959
  512    HG2  LYS  92           HG2      LYS  92   5.730  11.235  -3.684
  513    HG3  LYS  92           HG3      LYS  92   4.845   9.767  -4.119
  514    HD2  LYS  92           HD2      LYS  92   3.444  11.180  -5.711
  515    HD3  LYS  92           HD3      LYS  92   4.417  12.569  -5.240
  516    HE2  LYS  92           HE2      LYS  92   5.500  12.006  -7.160
  517    HE3  LYS  92           HE3      LYS  92   6.464  11.104  -5.993
  518    HZ1  LYS  92           HZ1      LYS  92   4.267  10.022  -7.680
  519    HZ2  LYS  92           HZ2      LYS  92   5.098   9.123  -6.590
  520    HZ3  LYS  92           HZ3      LYS  92   5.863   9.752  -7.908
  521    H    MET  93           H        MET  93   3.472   8.106  -3.507
  522    HA   MET  93           HA       MET  93   1.986   6.459  -1.688
  523    HB2  MET  93           HB2      MET  93   2.934   5.848  -3.963
  524    HB3  MET  93           HB3      MET  93   4.530   5.770  -3.220
  525    HG2  MET  93           HG2      MET  93   3.464   4.048  -1.563
  526    HG3  MET  93           HG3      MET  93   2.094   4.046  -2.654
  527    HE1  MET  93           HE1      MET  93   6.141   3.801  -2.992
  528    HE2  MET  93           HE2      MET  93   6.219   2.056  -3.326
  529    HE3  MET  93           HE3      MET  93   5.551   2.633  -1.786
  530    H    TYR  94           H        TYR  94   2.807   8.081   0.157
  531    HA   TYR  94           HA       TYR  94   5.270   7.844   1.410
  532    HB2  TYR  94           HB2      TYR  94   3.812   9.457   2.225
  533    HB3  TYR  94           HB3      TYR  94   2.471   8.366   2.346
  534    HD1  TYR  94           HD1      TYR  94   5.655   9.384   3.986
  535    HD2  TYR  94           HD2      TYR  94   2.012   7.119   4.355
  536    HE1  TYR  94           HE1      TYR  94   6.048   9.178   6.418
  537    HE2  TYR  94           HE2      TYR  94   2.399   6.926   6.808
  538    HH   TYR  94           HH       TYR  94   5.293   8.313   8.396
  539    H    LYS  95           H        LYS  95   2.480   5.583   2.107
  540    HA   LYS  95           HA       LYS  95   4.447   3.458   2.697
  541    HB2  LYS  95           HB2      LYS  95   4.275   4.901   4.742
  542    HB3  LYS  95           HB3      LYS  95   2.578   4.467   4.892
  543    HG2  LYS  95           HG2      LYS  95   3.075   2.286   5.573
  544    HG3  LYS  95           HG3      LYS  95   4.646   2.264   4.782
  545    HD2  LYS  95           HD2      LYS  95   4.624   2.352   7.358
  546    HD3  LYS  95           HD3      LYS  95   5.722   3.410   6.490
  547    HE2  LYS  95           HE2      LYS  95   4.045   5.283   6.743
  548    HE3  LYS  95           HE3      LYS  95   3.107   4.225   7.796
  549    HZ1  LYS  95           HZ1      LYS  95   5.146   4.098   9.217
  550    HZ2  LYS  95           HZ2      LYS  95   4.461   5.576   9.127
  551    HZ3  LYS  95           HZ3      LYS  95   5.834   5.286   8.275
  552    H    THR  96           H        THR  96   3.641   1.382   2.641
  553    HA   THR  96           HA       THR  96   0.703   0.965   2.202
  554    HB   THR  96           HB       THR  96   2.892  -0.407   0.593
  555    HG1  THR  96           HG1      THR  96   2.586   1.752   0.117
  556   HG21  THR  96          HG21      THR  96   1.108  -1.170  -0.874
  557   HG22  THR  96          HG22      THR  96  -0.116  -0.357   0.102
  558   HG23  THR  96          HG23      THR  96   0.762  -1.762   0.743
  559    H    TYR  97           H        TYR  97  -0.055  -1.019   2.772
  560    HA   TYR  97           HA       TYR  97   1.625  -2.818   4.459
  561    HB2  TYR  97           HB2      TYR  97  -1.159  -2.150   5.470
  562    HB3  TYR  97           HB3      TYR  97   0.174  -2.846   6.224
  563    HD1  TYR  97           HD1      TYR  97  -0.687   0.482   4.668
  564    HD2  TYR  97           HD2      TYR  97   1.372  -1.703   7.759
  565    HE1  TYR  97           HE1      TYR  97   0.045   2.610   5.719
  566    HE2  TYR  97           HE2      TYR  97   1.963   0.411   8.861
  567    HH   TYR  97           HH       TYR  97   1.943   2.678   8.746
  568    H    PHE  98           H        PHE  98   0.867  -4.946   4.694
  569    HA   PHE  98           HA       PHE  98  -1.206  -5.909   2.746
  570    HB2  PHE  98           HB2      PHE  98   1.698  -6.703   2.906
  571    HB3  PHE  98           HB3      PHE  98   0.511  -7.550   1.950
  572    HD1  PHE  98           HD1      PHE  98   2.508  -4.397   2.180
  573    HD2  PHE  98           HD2      PHE  98  -0.208  -6.758  -0.173
  574    HE1  PHE  98           HE1      PHE  98   3.089  -3.061   0.161
  575    HE2  PHE  98           HE2      PHE  98   0.441  -5.478  -2.209
  576    HZ   PHE  98           HZ       PHE  98   2.107  -3.655  -2.041
  577    H    PHE  99           H        PHE  99  -2.057  -7.951   3.139
  578    HA   PHE  99           HA       PHE  99  -1.626  -9.060   5.902
  579    HB2  PHE  99           HB2      PHE  99  -4.268  -8.560   4.477
  580    HB3  PHE  99           HB3      PHE  99  -4.033  -9.044   6.150
  581    HD1  PHE  99           HD1      PHE  99  -3.492  -6.237   3.728
  582    HD2  PHE  99           HD2      PHE  99  -3.948  -7.341   7.865
  583    HE1  PHE  99           HE1      PHE  99  -3.299  -3.889   4.363
  584    HE2  PHE  99           HE2      PHE  99  -3.846  -4.942   8.493
  585    HZ   PHE  99           HZ       PHE  99  -3.389  -3.225   6.778
  586    H    LYS 100           H        LYS 100  -1.811 -11.316   6.141
  587    HA   LYS 100           HA       LYS 100  -2.038 -12.932   3.676
  588    HB2  LYS 100           HB2      LYS 100  -1.678 -13.895   6.522
  589    HB3  LYS 100           HB3      LYS 100  -1.714 -14.881   5.072
  590    HG2  LYS 100           HG2      LYS 100   0.497 -14.745   5.653
  591    HG3  LYS 100           HG3      LYS 100   0.258 -13.786   4.195
  592    HD2  LYS 100           HD2      LYS 100   0.560 -11.726   5.377
  593    HD3  LYS 100           HD3      LYS 100   0.520 -12.539   6.945
  594    HE2  LYS 100           HE2      LYS 100   2.600 -13.254   4.861
  595    HE3  LYS 100           HE3      LYS 100   2.819 -11.858   5.928
  596    HZ1  LYS 100           HZ1      LYS 100   2.355 -14.603   6.950
  597    HZ2  LYS 100           HZ2      LYS 100   2.655 -13.277   7.834
  598    HZ3  LYS 100           HZ3      LYS 100   3.826 -13.909   6.833
  599    H    LYS 101           H        LYS 101  -3.447 -14.780   3.556
  600    HA   LYS 101           HA       LYS 101  -6.184 -14.236   3.601
  601    HB2  LYS 101           HB2      LYS 101  -4.888 -16.180   2.525
  602    HB3  LYS 101           HB3      LYS 101  -5.039 -16.994   4.070
  603    HG2  LYS 101           HG2      LYS 101  -6.803 -17.862   2.852
  604    HG3  LYS 101           HG3      LYS 101  -7.612 -16.631   3.831
  605    HD2  LYS 101           HD2      LYS 101  -7.577 -15.078   1.902
  606    HD3  LYS 101           HD3      LYS 101  -6.599 -16.237   0.987
  607    HE2  LYS 101           HE2      LYS 101  -8.501 -17.887   1.163
  608    HE3  LYS 101           HE3      LYS 101  -9.492 -16.593   1.867
  609    HZ1  LYS 101           HZ1      LYS 101  -9.733 -16.778  -0.601
  610    HZ2  LYS 101           HZ2      LYS 101  -8.127 -16.450  -0.771
  611    HZ3  LYS 101           HZ3      LYS 101  -9.132 -15.308  -0.149
  612    H    GLY 102           H        GLY 102  -7.402 -13.560   5.233
  613    HA2  GLY 102           HA2      GLY 102  -8.831 -13.977   7.034
  614    HA3  GLY 102           HA3      GLY 102  -7.794 -15.281   7.608
  615    H    GLU 103           H        GLU 103  -5.885 -12.493   6.978
  616    HA   GLU 103           HA       GLU 103  -5.697 -11.893   9.881
  617    HB2  GLU 103           HB2      GLU 103  -4.025 -11.020   7.500
  618    HB3  GLU 103           HB3      GLU 103  -3.725 -10.550   9.171
  619    HG2  GLU 103           HG2      GLU 103  -3.550 -12.973   9.799
  620    HG3  GLU 103           HG3      GLU 103  -3.669 -13.398   8.087
  621    H    SER 104           H        SER 104  -5.477  -9.686  10.615
  622    HA   SER 104           HA       SER 104  -7.079  -7.615   9.175
  623    HB2  SER 104           HB2      SER 104  -8.084  -7.114  11.459
  624    HB3  SER 104           HB3      SER 104  -8.675  -8.520  10.582
  625    HG   SER 104           HG       SER 104  -8.209  -9.605  12.294
  626    H    LYS 105           H        LYS 105  -4.232  -8.312  10.795
  627    HA   LYS 105           HA       LYS 105  -3.505  -5.416  10.700
  628    HB2  LYS 105           HB2      LYS 105  -3.689  -6.081  13.029
  629    HB3  LYS 105           HB3      LYS 105  -2.707  -7.520  12.726
  630    HG2  LYS 105           HG2      LYS 105  -0.777  -6.256  12.342
  631    HG3  LYS 105           HG3      LYS 105  -1.557  -4.703  12.430
  632    HD2  LYS 105           HD2      LYS 105  -1.706  -6.730  14.711
  633    HD3  LYS 105           HD3      LYS 105  -0.364  -5.605  14.592
  634    HE2  LYS 105           HE2      LYS 105  -1.920  -3.694  14.682
  635    HE3  LYS 105           HE3      LYS 105  -3.289  -4.822  14.805
  636    HZ1  LYS 105           HZ1      LYS 105  -2.375  -5.662  16.862
  637    HZ2  LYS 105           HZ2      LYS 105  -2.628  -4.029  16.980
  638    HZ3  LYS 105           HZ3      LYS 105  -1.101  -4.644  16.789
  639    H    SER 106           H        SER 106  -1.579  -5.015   9.665
  640    HA   SER 106           HA       SER 106  -0.977  -6.891   7.578
  641    HB2  SER 106           HB2      SER 106  -0.805  -4.769   6.858
  642    HB3  SER 106           HB3      SER 106  -0.120  -4.139   8.345
  643    HG   SER 106           HG       SER 106   1.909  -4.995   7.752
  644    H    SER 107           H        SER 107   0.985  -7.755   6.942
  645    HA   SER 107           HA       SER 107   3.062  -8.287   9.033
  646    HB2  SER 107           HB2      SER 107   1.746 -10.306   8.751
  647    HB3  SER 107           HB3      SER 107   1.882 -10.198   6.992
  648    HG   SER 107           HG       SER 107   4.054 -10.506   8.800
  649    H    TYR 108           H        TYR 108   2.452  -7.122   5.823
  650    HA   TYR 108           HA       TYR 108   5.392  -6.876   5.441
  651    HB2  TYR 108           HB2      TYR 108   4.446  -8.718   3.981
  652    HB3  TYR 108           HB3      TYR 108   3.587  -7.494   3.090
  653    HD1  TYR 108           HD1      TYR 108   6.802  -8.857   3.998
  654    HD2  TYR 108           HD2      TYR 108   4.838  -6.042   1.436
  655    HE1  TYR 108           HE1      TYR 108   8.837  -8.793   2.524
  656    HE2  TYR 108           HE2      TYR 108   6.876  -6.011  -0.057
  657    HH   TYR 108           HH       TYR 108   9.032  -6.836  -0.415
  658    H    VAL 109           H        VAL 109   6.050  -4.978   4.785
  659    HA   VAL 109           HA       VAL 109   4.110  -2.846   4.073
  660    HB   VAL 109           HB       VAL 109   5.525  -1.380   5.731
  661   HG11  VAL 109          HG11      VAL 109   3.460  -3.330   6.758
  662   HG12  VAL 109          HG12      VAL 109   3.177  -1.731   6.021
  663   HG13  VAL 109          HG13      VAL 109   4.020  -1.847   7.586
  664   HG21  VAL 109          HG21      VAL 109   5.689  -4.012   7.235
  665   HG22  VAL 109          HG22      VAL 109   6.438  -2.437   7.629
  666   HG23  VAL 109          HG23      VAL 109   7.003  -3.415   6.243
  667    H    ILE 110           H        ILE 110   4.985  -1.038   3.122
  668    HA   ILE 110           HA       ILE 110   7.787  -1.245   2.100
  669    HB   ILE 110           HB       ILE 110   5.359  -0.892   0.352
  670   HG12  ILE 110          HG12      ILE 110   6.738  -3.465   1.085
  671   HG13  ILE 110          HG13      ILE 110   5.045  -3.087   1.129
  672   HG21  ILE 110          HG21      ILE 110   8.241  -1.618  -0.400
  673   HG22  ILE 110          HG22      ILE 110   7.537   0.008  -0.522
  674   HG23  ILE 110          HG23      ILE 110   6.916  -1.298  -1.520
  675   HD11  ILE 110          HD11      ILE 110   5.321  -4.582  -0.642
  676   HD12  ILE 110          HD12      ILE 110   6.751  -3.734  -1.256
  677   HD13  ILE 110          HD13      ILE 110   5.124  -3.000  -1.427
  678    H    ASN 111           H        ASN 111   8.742   0.649   2.133
  679    HA   ASN 111           HA       ASN 111   7.172   3.087   2.812
  680    HB2  ASN 111           HB2      ASN 111  10.176   2.559   2.979
  681    HB3  ASN 111           HB3      ASN 111   9.306   3.908   3.696
  682   HD21  ASN 111          HD21      ASN 111   7.381   2.938   5.193
  683   HD22  ASN 111          HD22      ASN 111   7.983   1.754   6.356
  684    H    GLY 112           H        GLY 112   7.191   4.902   1.465
  685    HA2  GLY 112           HA2      GLY 112   8.939   4.938  -0.942
  686    HA3  GLY 112           HA3      GLY 112   7.193   4.821  -1.158
  687    HA   PRO 113           HA       PRO 113   8.745   9.227  -0.900
  688    HB2  PRO 113           HB2      PRO 113   7.847  10.200  -3.292
  689    HB3  PRO 113           HB3      PRO 113   9.361   9.258  -3.129
  690    HG2  PRO 113           HG2      PRO 113   6.622   8.237  -3.933
  691    HG3  PRO 113           HG3      PRO 113   8.188   7.973  -4.756
  692    HD2  PRO 113           HD2      PRO 113   7.117   6.148  -3.030
  693    HD3  PRO 113           HD3      PRO 113   8.883   6.424  -3.097
  694    H    GLY 114           H        GLY 114   7.700  10.725   0.021
  695    HA2  GLY 114           HA2      GLY 114   5.522  12.165   0.067
  696    HA3  GLY 114           HA3      GLY 114   4.785  10.612   0.496
  697    H    LYS 115           H        LYS 115   4.991  12.993   2.220
  698    HA   LYS 115           HA       LYS 115   6.757  11.908   4.408
  699    HB2  LYS 115           HB2      LYS 115   7.765  13.719   3.112
  700    HB3  LYS 115           HB3      LYS 115   6.394  14.776   3.490
  701    HG2  LYS 115           HG2      LYS 115   6.954  14.820   5.843
  702    HG3  LYS 115           HG3      LYS 115   8.170  13.537   5.634
  703    HD2  LYS 115           HD2      LYS 115   9.518  14.990   4.216
  704    HD3  LYS 115           HD3      LYS 115   8.288  16.269   4.291
  705    HE2  LYS 115           HE2      LYS 115   8.676  16.674   6.604
  706    HE3  LYS 115           HE3      LYS 115   9.612  15.187   6.799
  707    HZ1  LYS 115           HZ1      LYS 115  10.472  17.384   5.020
  708    HZ2  LYS 115           HZ2      LYS 115  11.342  16.081   5.446
  709    HZ3  LYS 115           HZ3      LYS 115  11.019  17.251   6.572
  710    H    THR 116           H        THR 116   3.598  13.521   3.812
  711    HA   THR 116           HA       THR 116   2.970  12.830   6.635
  712    HB   THR 116           HB       THR 116   3.688  15.044   6.960
  713    HG1  THR 116           HG1      THR 116   1.905  15.730   7.898
  714   HG21  THR 116          HG21      THR 116   1.873  15.942   4.680
  715   HG22  THR 116          HG22      THR 116   3.649  15.954   4.663
  716   HG23  THR 116          HG23      THR 116   2.772  16.997   5.785
  717    H    ASN 117           H        ASN 117   1.091  11.935   6.878
  718    HA   ASN 117           HA       ASN 117  -0.826  11.752   4.679
  719    HB2  ASN 117           HB2      ASN 117  -1.059  10.847   7.591
  720    HB3  ASN 117           HB3      ASN 117  -2.171  10.439   6.282
  721   HD21  ASN 117          HD21      ASN 117  -0.883   9.563   4.218
  722   HD22  ASN 117          HD22      ASN 117   0.360   8.398   4.633
  723    H    GLU 118           H        GLU 118  -0.221  14.322   6.803
  724    HA   GLU 118           HA       GLU 118  -3.050  14.879   7.363
  725    HB2  GLU 118           HB2      GLU 118  -0.598  16.482   8.159
  726    HB3  GLU 118           HB3      GLU 118  -2.233  16.603   8.817
  727    HG2  GLU 118           HG2      GLU 118  -1.997  14.137   9.508
  728    HG3  GLU 118           HG3      GLU 118  -0.273  14.301   9.161
  729    H    TYR 119           H        TYR 119  -0.925  15.789   4.944
  730    HA   TYR 119           HA       TYR 119  -1.890  16.928   2.968
  731    HB2  TYR 119           HB2      TYR 119  -3.602  18.240   4.078
  732    HB3  TYR 119           HB3      TYR 119  -2.355  19.118   4.977
  733    HD1  TYR 119           HD1      TYR 119  -3.791  18.503   1.579
  734    HD2  TYR 119           HD2      TYR 119  -1.267  21.026   4.007
  735    HE1  TYR 119           HE1      TYR 119  -3.671  20.164  -0.272
  736    HE2  TYR 119           HE2      TYR 119  -1.169  22.690   2.158
  737    HH   TYR 119           HH       TYR 119  -2.919  22.230  -0.926
  738    H    ALA 120           H        ALA 120  -0.327  17.795   1.659
  739    HA   ALA 120           HA       ALA 120   2.175  18.805   2.959
  740    HB1  ALA 120           HB1      ALA 120   2.409  16.543   2.094
  741    HB2  ALA 120           HB2      ALA 120   3.345  17.676   1.102
  742    HB3  ALA 120           HB3      ALA 120   1.795  17.052   0.505
  743    H    TYR 121           H        TYR 121   2.715  20.772   2.540
  744    HA   TYR 121           HA       TYR 121   2.949  21.857  -0.110
  745    HB2  TYR 121           HB2      TYR 121   0.622  22.553   0.274
  746    HB3  TYR 121           HB3      TYR 121   1.063  23.250   1.827
  747    HD1  TYR 121           HD1      TYR 121   1.838  23.551  -1.854
  748    HD2  TYR 121           HD2      TYR 121   1.576  25.535   1.955
  749    HE1  TYR 121           HE1      TYR 121   2.234  25.737  -2.977
  750    HE2  TYR 121           HE2      TYR 121   1.975  27.728   0.838
  751    HH   TYR 121           HH       TYR 121   2.407  28.037  -2.702
  752    H1   ACE   6           H1       ACE   6  12.048   7.765  -9.049
  753    H2   ACE   6           H2       ACE   6  12.802   8.401  -7.565
  754    H3   ACE   6           H3       ACE   6  12.970   6.683  -7.986
  755    H    THR   7           H        THR   7  10.762   5.607  -8.414
  756    HA   THR   7           HA       THR   7   9.023   6.111  -6.033
  757    HB   THR   7           HB       THR   7   8.235   7.130  -8.280
  758    HG1  THR   7           HG1      THR   7   6.156   6.735  -7.790
  759   HG21  THR   7          HG21      THR   7   8.581   5.089  -9.677
  760   HG22  THR   7          HG22      THR   7   6.935   5.730  -9.759
  761   HG23  THR   7          HG23      THR   7   7.263   4.292  -8.793
  762    H    THR   8           H        THR   8  11.028   4.052  -6.954
  763    HA   THR   8           HA       THR   8   9.352   1.562  -6.919
  764    HB   THR   8           HB       THR   8  11.364   2.561  -8.864
  765    HG1  THR   8           HG1      THR   8   9.195   0.801  -9.268
  766   HG21  THR   8          HG21      THR   8  11.587   0.359  -9.905
  767   HG22  THR   8          HG22      THR   8  12.493   0.468  -8.401
  768   HG23  THR   8          HG23      THR   8  10.945  -0.399  -8.439
  769    HA   PRO   9           HA       PRO   9  13.321  -0.270  -5.584
  770    HB2  PRO   9           HB2      PRO   9  15.611   0.995  -4.837
  771    HB3  PRO   9           HB3      PRO   9  15.124   0.603  -6.519
  772    HG2  PRO   9           HG2      PRO   9  14.675   3.220  -5.026
  773    HG3  PRO   9           HG3      PRO   9  15.480   3.027  -6.626
  774    HD2  PRO   9           HD2      PRO   9  12.857   3.665  -6.427
  775    HD3  PRO   9           HD3      PRO   9  13.389   2.477  -7.661
  776    H    ASP  10           H        ASP  10  14.084  -1.128  -3.750
  777    HA   ASP  10           HA       ASP  10  14.122  -1.763  -1.598
  778    HB2  ASP  10           HB2      ASP  10  12.675   0.731  -0.735
  779    HB3  ASP  10           HB3      ASP  10  13.212  -0.614   0.255
  780    H2   TYS  11           H2       TYS  11  12.980  -3.563  -1.968
  781    HA   TYS  11           HA       TYS  11  10.241  -3.370  -3.005
  782    HB2  TYS  11           HB2      TYS  11  12.580  -5.082  -3.711
  783    HB3  TYS  11           HB3      TYS  11  11.058  -5.949  -3.570
  784    HD1  TYS  11           HD1      TYS  11   9.207  -5.567  -5.006
  785    HD2  TYS  11           HD2      TYS  11  12.519  -2.846  -5.024
  786    HE1  TYS  11           HE1      TYS  11   8.130  -4.296  -6.716
  787    HE2  TYS  11           HE2      TYS  11  11.346  -1.464  -6.598
  788    H    GLY  12           H        GLY  12  10.562  -2.949  -0.682
  789    HA2  GLY  12           HA2      GLY  12   9.041  -3.061   1.066
  790    HA3  GLY  12           HA3      GLY  12   8.382  -4.528   0.339
  791    H    HIS  13           H        HIS  13   8.450  -4.551   3.062
  792    HA   HIS  13           HA       HIS  13  10.360  -6.722   3.620
  793    HB2  HIS  13           HB2      HIS  13  11.118  -5.670   5.721
  794    HB3  HIS  13           HB3      HIS  13  11.737  -4.847   4.290
  795    HD1  HIS  13           HD1      HIS  13  10.553  -2.479   3.614
  796    HD2  HIS  13           HD2      HIS  13   9.299  -4.219   7.260
  797    HE1  HIS  13           HE1      HIS  13   8.874  -0.826   4.729
  798    HE2  HIS  13           HE2      HIS  13   8.517  -1.688   7.103
  799    H2   TYS  14           H2       TYS  14   9.837  -7.969   5.375
  800    HA   TYS  14           HA       TYS  14   7.081  -7.794   6.358
  801    HB2  TYS  14           HB2      TYS  14   9.386  -9.681   7.038
  802    HB3  TYS  14           HB3      TYS  14   7.821  -9.760   7.810
  803    HD1  TYS  14           HD1      TYS  14   9.430 -10.032   4.340
  804    HD2  TYS  14           HD2      TYS  14   5.921 -10.818   6.757
  805    HE1  TYS  14           HE1      TYS  14   8.639 -11.549   2.698
  806    HE2  TYS  14           HE2      TYS  14   5.145 -12.367   5.071
  807    H    ASP  15           H        ASP  15   6.357  -7.330   8.336
  808    HA   ASP  15           HA       ASP  15   8.181  -6.480  10.427
  809    HB2  ASP  15           HB2      ASP  15   7.902  -4.454   8.764
  810    HB3  ASP  15           HB3      ASP  15   6.340  -4.272   9.494
  811    H    ASP  16           H        ASP  16   7.156  -5.949  12.386
  812    HA   ASP  16           HA       ASP  16   4.359  -6.992  12.728
  813    HB2  ASP  16           HB2      ASP  16   6.701  -7.452  14.612
  814    HB3  ASP  16           HB3      ASP  16   5.075  -8.108  14.772
  815    H    LYS  17           H        LYS  17   6.383  -4.269  13.351
  816    HA   LYS  17           HA       LYS  17   4.545  -3.397  15.557
  817    HB2  LYS  17           HB2      LYS  17   6.131  -2.766  16.939
  818    HB3  LYS  17           HB3      LYS  17   6.977  -4.108  16.194
  819    HG2  LYS  17           HG2      LYS  17   7.388  -1.129  15.690
  820    HG3  LYS  17           HG3      LYS  17   8.411  -2.189  16.637
  821    HD2  LYS  17           HD2      LYS  17   8.078  -2.242  13.633
  822    HD3  LYS  17           HD3      LYS  17   9.453  -1.663  14.544
  823    HE2  LYS  17           HE2      LYS  17   9.854  -3.944  15.444
  824    HE3  LYS  17           HE3      LYS  17   8.478  -4.557  14.511
  825    HZ1  LYS  17           HZ1      LYS  17  10.624  -4.885  13.378
  826    HZ2  LYS  17           HZ2      LYS  17  10.854  -3.254  13.305
  827    HZ3  LYS  17           HZ3      LYS  17   9.609  -3.926  12.484
  828    H    ASP  18           H        ASP  18   6.082  -2.490  12.608
  829    HA   ASP  18           HA       ASP  18   4.922   0.250  12.772
  830    HB2  ASP  18           HB2      ASP  18   6.814  -1.163  10.854
  831    HB3  ASP  18           HB3      ASP  18   6.072   0.383  10.487
  832    H    THR  19           H        THR  19   3.537  -2.586  12.315
  833    HA   THR  19           HA       THR  19   2.183  -2.601   9.832
  834    HB   THR  19           HB       THR  19   2.231  -4.563  11.375
  835    HG1  THR  19           HG1      THR  19   0.693  -5.186  10.423
  836   HG21  THR  19          HG21      THR  19   0.205  -3.255  13.118
  837   HG22  THR  19          HG22      THR  19   1.944  -3.279  13.512
  838   HG23  THR  19          HG23      THR  19   1.109  -4.800  13.277
  839    H    LEU  20           H        LEU  20  -0.238  -2.435   9.552
  840    HA   LEU  20           HA       LEU  20  -1.580  -0.241  11.031
  841    HB2  LEU  20           HB2      LEU  20  -1.347   0.397   8.599
  842    HB3  LEU  20           HB3      LEU  20  -1.976  -1.213   8.158
  843    HG   LEU  20           HG       LEU  20  -4.137  -0.627   9.156
  844   HD11  LEU  20          HD11      LEU  20  -4.588   1.794   9.646
  845   HD12  LEU  20          HD12      LEU  20  -2.849   2.122   9.532
  846   HD13  LEU  20          HD13      LEU  20  -3.491   1.065  10.815
  847   HD21  LEU  20          HD21      LEU  20  -3.749  -0.346   6.837
  848   HD22  LEU  20          HD22      LEU  20  -3.036   1.265   7.047
  849   HD23  LEU  20          HD23      LEU  20  -4.768   0.981   7.378
  850    H    ASP  21           H        ASP  21  -3.533  -0.917  11.892
  851    HA   ASP  21           HA       ASP  21  -4.527  -3.624  11.158
  852    HB2  ASP  21           HB2      ASP  21  -5.986  -3.404  13.207
  853    HB3  ASP  21           HB3      ASP  21  -4.346  -3.901  13.381
  854    H    LEU  22           H        LEU  22  -6.453  -3.937  10.713
  855    HA   LEU  22           HA       LEU  22  -8.013  -1.635   9.544
  856    HB2  LEU  22           HB2      LEU  22  -7.299  -4.433   8.779
  857    HB3  LEU  22           HB3      LEU  22  -8.926  -3.901   8.314
  858    HG   LEU  22           HG       LEU  22  -7.973  -2.100   6.976
  859   HD11  LEU  22          HD11      LEU  22  -6.020  -1.443   8.240
  860   HD12  LEU  22          HD12      LEU  22  -5.475  -2.029   6.677
  861   HD13  LEU  22          HD13      LEU  22  -5.316  -3.064   8.121
  862   HD21  LEU  22          HD21      LEU  22  -6.487  -4.746   6.630
  863   HD22  LEU  22          HD22      LEU  22  -6.717  -3.514   5.365
  864   HD23  LEU  22          HD23      LEU  22  -8.127  -4.373   6.030
  865    H    ASN  23           H        ASN  23  -8.354  -4.367  11.765
  866    HA   ASN  23           HA       ASN  23 -10.842  -3.618  12.834
  867    HB2  ASN  23           HB2      ASN  23 -12.258  -5.394  11.948
  868    HB3  ASN  23           HB3      ASN  23 -11.723  -4.398  10.624
  869   HD21  ASN  23          HD21      ASN  23  -9.375  -5.351   9.792
  870   HD22  ASN  23          HD22      ASN  23  -9.684  -6.975   9.161
  871    H    THR  24           H        THR  24 -11.633  -5.528  14.183
  872    HA   THR  24           HA       THR  24  -9.656  -7.656  14.730
  873    HB   THR  24           HB       THR  24  -8.910  -5.886  16.133
  874    HG1  THR  24           HG1      THR  24  -8.877  -6.866  18.053
  875   HG21  THR  24          HG21      THR  24 -10.233  -4.996  18.001
  876   HG22  THR  24          HG22      THR  24 -10.903  -4.570  16.427
  877   HG23  THR  24          HG23      THR  24 -11.666  -5.862  17.394
  878    HA   PRO  25           HA       PRO  25 -13.698  -9.113  16.741
  879    HB2  PRO  25           HB2      PRO  25 -16.065  -8.709  15.441
  880    HB3  PRO  25           HB3      PRO  25 -15.405  -7.585  16.669
  881    HG2  PRO  25           HG2      PRO  25 -15.229  -7.369  13.656
  882    HG3  PRO  25           HG3      PRO  25 -15.622  -6.088  14.844
  883    HD2  PRO  25           HD2      PRO  25 -13.167  -6.406  13.771
  884    HD3  PRO  25           HD3      PRO  25 -13.402  -5.806  15.454
  885    H    VAL  26           H        VAL  26 -13.899 -11.239  16.421
  886    HA   VAL  26           HA       VAL  26 -14.703 -12.433  13.902
  887    HB   VAL  26           HB       VAL  26 -12.245 -12.014  13.559
  888   HG11  VAL  26          HG11      VAL  26 -11.729 -14.207  15.584
  889   HG12  VAL  26          HG12      VAL  26 -11.465 -12.474  15.909
  890   HG13  VAL  26          HG13      VAL  26 -10.553 -13.293  14.631
  891   HG21  VAL  26          HG21      VAL  26 -13.385 -13.690  12.296
  892   HG22  VAL  26          HG22      VAL  26 -13.149 -14.907  13.577
  893   HG23  VAL  26          HG23      VAL  26 -11.757 -14.260  12.694
  894    H    ASP  27           H        ASP  27 -15.700 -14.410  14.279
  895    HA   ASP  27           HA       ASP  27 -16.472 -14.871  17.007
  896    HB2  ASP  27           HB2      ASP  27 -16.954 -16.652  14.588
  897    HB3  ASP  27           HB3      ASP  27 -17.829 -16.695  16.123
  898    H    LYS  28           H        LYS  28 -13.994 -16.375  15.086
  899    HA   LYS  28           HA       LYS  28 -12.973 -17.966  17.317
  900    HB2  LYS  28           HB2      LYS  28 -13.043 -20.112  16.178
  901    HB3  LYS  28           HB3      LYS  28 -14.678 -19.487  16.360
  902    HG2  LYS  28           HG2      LYS  28 -14.579 -18.694  13.950
  903    HG3  LYS  28           HG3      LYS  28 -12.995 -19.483  13.813
  904    HD2  LYS  28           HD2      LYS  28 -14.045 -21.664  14.390
  905    HD3  LYS  28           HD3      LYS  28 -15.628 -20.860  14.485
  906    HE2  LYS  28           HE2      LYS  28 -15.345 -20.124  12.093
  907    HE3  LYS  28           HE3      LYS  28 -13.819 -21.024  12.030
  908    HZ1  LYS  28           HZ1      LYS  28 -16.503 -22.170  12.527
  909    HZ2  LYS  28           HZ2      LYS  28 -15.089 -23.041  12.551
  910    HZ3  LYS  28           HZ3      LYS  28 -15.640 -22.376  11.152
  911    HN1  NH2  29           HN1      NH2  29  -9.840 -17.984  15.663
  912    HN2  NH2  29           HN2      NH2  29 -10.785 -18.639  16.991
  Start of MODEL   18
    1    H1   ASN  31           H1       ASN  31   4.042   1.584 -14.324
    2    H2   ASN  31           H2       ASN  31   3.942   2.488 -15.703
    3    H3   ASN  31           H3       ASN  31   5.274   1.568 -15.414
    4    HA   ASN  31           HA       ASN  31   5.748   3.877 -15.009
    5    HB2  ASN  31           HB2      ASN  31   3.510   3.624 -12.952
    6    HB3  ASN  31           HB3      ASN  31   4.735   4.886 -12.906
    7   HD21  ASN  31          HD21      ASN  31   3.839   6.811 -13.662
    8   HD22  ASN  31          HD22      ASN  31   2.861   6.869 -15.117
    9    H    SER  32           H        SER  32   7.698   2.805 -14.672
   10    HA   SER  32           HA       SER  32   8.488   1.414 -12.342
   11    HB2  SER  32           HB2      SER  32  10.110   3.305 -14.099
   12    HB3  SER  32           HB3      SER  32  10.775   2.113 -12.966
   13    HG   SER  32           HG       SER  32   9.855   0.481 -14.142
   14    H    GLY  33           H        GLY  33   8.078   4.912 -12.779
   15    HA2  GLY  33           HA2      GLY  33   9.702   5.424 -10.319
   16    HA3  GLY  33           HA3      GLY  33   9.511   6.487 -11.702
   17    H    LEU  34           H        LEU  34   6.778   6.759 -12.012
   18    HA   LEU  34           HA       LEU  34   5.805   7.845  -9.402
   19    HB2  LEU  34           HB2      LEU  34   6.397   9.400 -11.943
   20    HB3  LEU  34           HB3      LEU  34   5.431  10.031 -10.622
   21    HG   LEU  34           HG       LEU  34   8.362   9.253 -10.354
   22   HD11  LEU  34          HD11      LEU  34   8.053  11.161 -11.856
   23   HD12  LEU  34          HD12      LEU  34   8.761  11.679 -10.319
   24   HD13  LEU  34          HD13      LEU  34   7.037  11.974 -10.647
   25   HD21  LEU  34          HD21      LEU  34   7.147   9.158  -8.190
   26   HD22  LEU  34          HD22      LEU  34   6.486  10.780  -8.490
   27   HD23  LEU  34          HD23      LEU  34   8.232  10.550  -8.245
   28    HA   PRO  35           HA       PRO  35   1.968   6.661 -11.623
   29    HB2  PRO  35           HB2      PRO  35   0.666   5.490  -9.563
   30    HB3  PRO  35           HB3      PRO  35   2.025   4.658 -10.381
   31    HG2  PRO  35           HG2      PRO  35   2.069   6.156  -7.754
   32    HG3  PRO  35           HG3      PRO  35   2.827   4.586  -8.161
   33    HD2  PRO  35           HD2      PRO  35   4.101   7.097  -8.213
   34    HD3  PRO  35           HD3      PRO  35   4.694   5.662  -9.086
   35    H    THR  36           H        THR  36   0.053   7.926 -11.679
   36    HA   THR  36           HA       THR  36  -0.837   9.207  -9.153
   37    HB   THR  36           HB       THR  36   0.436  10.904 -10.248
   38    HG1  THR  36           HG1      THR  36  -1.131  12.507 -10.246
   39   HG21  THR  36          HG21      THR  36  -0.645  12.037 -12.311
   40   HG22  THR  36          HG22      THR  36  -1.438  10.473 -12.585
   41   HG23  THR  36          HG23      THR  36   0.332  10.597 -12.555
   42    H    THR  37           H        THR  37  -1.649   6.836 -10.570
   43    HA   THR  37           HA       THR  37  -4.503   7.323 -10.158
   44    HB   THR  37           HB       THR  37  -5.229   5.803 -11.928
   45    HG1  THR  37           HG1      THR  37  -3.702   5.119 -13.514
   46   HG21  THR  37          HG21      THR  37  -4.878   7.146 -13.911
   47   HG22  THR  37          HG22      THR  37  -3.490   7.965 -13.163
   48   HG23  THR  37          HG23      THR  37  -5.125   8.203 -12.510
   49    H    LEU  38           H        LEU  38  -5.568   5.373  -9.302
   50    HA   LEU  38           HA       LEU  38  -3.856   3.564  -7.853
   51    HB2  LEU  38           HB2      LEU  38  -6.782   3.473  -8.604
   52    HB3  LEU  38           HB3      LEU  38  -5.999   2.033  -7.985
   53    HG   LEU  38           HG       LEU  38  -6.170   4.648  -6.468
   54   HD11  LEU  38          HD11      LEU  38  -7.777   3.403  -5.058
   55   HD12  LEU  38          HD12      LEU  38  -7.628   1.979  -6.103
   56   HD13  LEU  38          HD13      LEU  38  -8.359   3.469  -6.717
   57   HD21  LEU  38          HD21      LEU  38  -5.252   1.858  -5.577
   58   HD22  LEU  38          HD22      LEU  38  -5.425   3.284  -4.531
   59   HD23  LEU  38          HD23      LEU  38  -4.181   3.252  -5.776
   60    H    GLY  39           H        GLY  39  -5.255   3.312 -11.145
   61    HA2  GLY  39           HA2      GLY  39  -4.759   0.648 -11.712
   62    HA3  GLY  39           HA3      GLY  39  -4.607   1.948 -12.893
   63    H    LYS  40           H        LYS  40  -2.412   3.325 -12.006
   64    HA   LYS  40           HA       LYS  40  -0.183   1.645 -12.824
   65    HB2  LYS  40           HB2      LYS  40  -0.489   4.542 -11.927
   66    HB3  LYS  40           HB3      LYS  40   1.062   3.842 -12.436
   67    HG2  LYS  40           HG2      LYS  40   0.271   3.363 -14.630
   68    HG3  LYS  40           HG3      LYS  40  -1.399   3.684 -14.210
   69    HD2  LYS  40           HD2      LYS  40  -0.994   6.059 -13.947
   70    HD3  LYS  40           HD3      LYS  40   0.741   5.820 -14.201
   71    HE2  LYS  40           HE2      LYS  40   0.276   4.926 -16.481
   72    HE3  LYS  40           HE3      LYS  40  -1.455   5.205 -16.223
   73    HZ1  LYS  40           HZ1      LYS  40   0.638   7.319 -16.284
   74    HZ2  LYS  40           HZ2      LYS  40  -0.989   7.564 -16.001
   75    HZ3  LYS  40           HZ3      LYS  40  -0.485   7.033 -17.447
   76    H    LEU  41           H        LEU  41  -1.211   3.023  -9.666
   77    HA   LEU  41           HA       LEU  41   1.227   2.165  -8.336
   78    HB2  LEU  41           HB2      LEU  41  -0.039   4.072  -7.517
   79    HB3  LEU  41           HB3      LEU  41  -1.471   3.068  -7.264
   80    HG   LEU  41           HG       LEU  41  -0.328   1.799  -5.501
   81   HD11  LEU  41          HD11      LEU  41   1.842   2.468  -4.621
   82   HD12  LEU  41          HD12      LEU  41   2.036   3.682  -5.909
   83   HD13  LEU  41          HD13      LEU  41   2.036   1.939  -6.281
   84   HD21  LEU  41          HD21      LEU  41  -1.515   3.808  -4.840
   85   HD22  LEU  41          HD22      LEU  41  -0.061   4.797  -5.126
   86   HD23  LEU  41          HD23      LEU  41  -0.062   3.573  -3.834
   87    H    ASP  42           H        ASP  42  -2.053   0.771  -8.540
   88    HA   ASP  42           HA       ASP  42  -1.658  -1.467  -6.785
   89    HB2  ASP  42           HB2      ASP  42  -3.801  -0.351  -7.634
   90    HB3  ASP  42           HB3      ASP  42  -3.511  -1.104  -9.204
   91    H    GLU  43           H        GLU  43  -1.141  -1.094 -10.283
   92    HA   GLU  43           HA       GLU  43  -0.211  -3.790 -10.744
   93    HB2  GLU  43           HB2      GLU  43  -0.997  -2.147 -12.462
   94    HB3  GLU  43           HB3      GLU  43   0.501  -1.232 -12.241
   95    HG2  GLU  43           HG2      GLU  43   1.805  -3.223 -12.964
   96    HG3  GLU  43           HG3      GLU  43   0.307  -4.147 -13.135
   97    H    ARG  44           H        ARG  44   1.496  -0.751  -9.798
   98    HA   ARG  44           HA       ARG  44   4.132  -1.796  -9.656
   99    HB2  ARG  44           HB2      ARG  44   2.931   0.654  -9.108
  100    HB3  ARG  44           HB3      ARG  44   3.295   0.086  -7.484
  101    HG2  ARG  44           HG2      ARG  44   5.662  -0.411  -8.508
  102    HG3  ARG  44           HG3      ARG  44   5.146   0.710  -9.773
  103    HD2  ARG  44           HD2      ARG  44   4.595   2.375  -7.903
  104    HD3  ARG  44           HD3      ARG  44   5.394   1.247  -6.779
  105    HE   ARG  44           HE       ARG  44   7.072   1.804  -9.043
  106   HH11  ARG  44          HH11      ARG  44   6.276   3.113  -5.846
  107   HH12  ARG  44          HH12      ARG  44   7.754   4.041  -5.816
  108   HH21  ARG  44          HH21      ARG  44   8.789   3.233  -8.942
  109   HH22  ARG  44          HH22      ARG  44   8.993   4.246  -7.509
  110    H    LEU  45           H        LEU  45   1.686  -1.613  -7.053
  111    HA   LEU  45           HA       LEU  45   3.337  -2.881  -5.113
  112    HB2  LEU  45           HB2      LEU  45   0.350  -2.400  -5.349
  113    HB3  LEU  45           HB3      LEU  45   1.079  -3.065  -3.898
  114    HG   LEU  45           HG       LEU  45   1.902  -0.376  -5.095
  115   HD11  LEU  45          HD11      LEU  45  -0.435  -0.312  -4.418
  116   HD12  LEU  45          HD12      LEU  45   0.558   0.607  -3.265
  117   HD13  LEU  45          HD13      LEU  45  -0.028  -1.017  -2.847
  118   HD21  LEU  45          HD21      LEU  45   2.846   0.050  -2.862
  119   HD22  LEU  45          HD22      LEU  45   3.642  -1.314  -3.650
  120   HD23  LEU  45          HD23      LEU  45   2.441  -1.602  -2.366
  121    H    ARG  46           H        ARG  46   0.973  -4.357  -7.354
  122    HA   ARG  46           HA       ARG  46   1.186  -7.050  -6.266
  123    HB2  ARG  46           HB2      ARG  46   0.462  -6.001  -9.036
  124    HB3  ARG  46           HB3      ARG  46   0.401  -7.714  -8.584
  125    HG2  ARG  46           HG2      ARG  46  -1.243  -7.279  -6.845
  126    HG3  ARG  46           HG3      ARG  46  -1.138  -5.540  -7.125
  127    HD2  ARG  46           HD2      ARG  46  -1.828  -6.157  -9.591
  128    HD3  ARG  46           HD3      ARG  46  -2.380  -7.676  -8.865
  129    HE   ARG  46           HE       ARG  46  -3.211  -4.938  -7.924
  130   HH11  ARG  46          HH11      ARG  46  -4.361  -8.213  -8.605
  131   HH12  ARG  46          HH12      ARG  46  -5.949  -7.824  -7.969
  132   HH21  ARG  46          HH21      ARG  46  -5.098  -4.526  -7.326
  133   HH22  ARG  46          HH22      ARG  46  -6.395  -5.743  -7.303
  134    H    ASN  47           H        ASN  47   3.199  -5.159  -8.481
  135    HA   ASN  47           HA       ASN  47   4.940  -7.472  -9.098
  136    HB2  ASN  47           HB2      ASN  47   5.009  -4.518  -9.765
  137    HB3  ASN  47           HB3      ASN  47   6.432  -5.524  -9.954
  138   HD21  ASN  47          HD21      ASN  47   3.261  -4.805 -11.256
  139   HD22  ASN  47          HD22      ASN  47   3.429  -5.890 -12.646
  140    H    TYR  48           H        TYR  48   5.073  -4.734  -6.797
  141    HA   TYR  48           HA       TYR  48   7.610  -5.291  -5.789
  142    HB2  TYR  48           HB2      TYR  48   5.181  -3.921  -4.730
  143    HB3  TYR  48           HB3      TYR  48   6.448  -4.298  -3.622
  144    HD1  TYR  48           HD1      TYR  48   6.367  -2.848  -7.135
  145    HD2  TYR  48           HD2      TYR  48   7.915  -2.571  -3.129
  146    HE1  TYR  48           HE1      TYR  48   7.612  -0.801  -7.745
  147    HE2  TYR  48           HE2      TYR  48   9.225  -0.547  -3.806
  148    HH   TYR  48           HH       TYR  48   9.853   0.679  -5.494
  149    H    LEU  49           H        LEU  49   4.535  -6.886  -4.766
  150    HA   LEU  49           HA       LEU  49   5.786  -8.452  -2.724
  151    HB2  LEU  49           HB2      LEU  49   3.428  -9.060  -4.549
  152    HB3  LEU  49           HB3      LEU  49   3.959 -10.170  -3.283
  153    HG   LEU  49           HG       LEU  49   3.159  -7.321  -2.722
  154   HD11  LEU  49          HD11      LEU  49   1.249  -8.583  -3.678
  155   HD12  LEU  49          HD12      LEU  49   1.000  -8.359  -1.941
  156   HD13  LEU  49          HD13      LEU  49   1.553  -9.920  -2.543
  157   HD21  LEU  49          HD21      LEU  49   3.408  -9.720  -0.870
  158   HD22  LEU  49          HD22      LEU  49   2.868  -8.098  -0.409
  159   HD23  LEU  49          HD23      LEU  49   4.529  -8.334  -0.938
  160    H    LYS  50           H        LYS  50   5.394  -9.320  -6.216
  161    HA   LYS  50           HA       LYS  50   6.681 -11.878  -5.999
  162    HB2  LYS  50           HB2      LYS  50   6.762  -9.972  -8.367
  163    HB3  LYS  50           HB3      LYS  50   7.125 -11.700  -8.354
  164    HG2  LYS  50           HG2      LYS  50   4.801 -12.259  -7.865
  165    HG3  LYS  50           HG3      LYS  50   4.370 -10.545  -7.784
  166    HD2  LYS  50           HD2      LYS  50   5.480 -11.940 -10.268
  167    HD3  LYS  50           HD3      LYS  50   3.766 -11.611  -9.965
  168    HE2  LYS  50           HE2      LYS  50   4.247  -9.184  -9.824
  169    HE3  LYS  50           HE3      LYS  50   5.960  -9.491 -10.176
  170    HZ1  LYS  50           HZ1      LYS  50   3.712 -10.087 -12.009
  171    HZ2  LYS  50           HZ2      LYS  50   5.308 -10.335 -12.348
  172    HZ3  LYS  50           HZ3      LYS  50   4.758  -8.812 -12.120
  173    H    LYS  51           H        LYS  51   7.992  -8.681  -6.672
  174    HA   LYS  51           HA       LYS  51  10.772  -9.256  -7.044
  175    HB2  LYS  51           HB2      LYS  51   9.177  -6.884  -6.159
  176    HB3  LYS  51           HB3      LYS  51  10.930  -6.814  -6.360
  177    HG2  LYS  51           HG2      LYS  51   9.492  -7.920  -8.720
  178    HG3  LYS  51           HG3      LYS  51   9.014  -6.270  -8.290
  179    HD2  LYS  51           HD2      LYS  51  11.358  -5.547  -8.271
  180    HD3  LYS  51           HD3      LYS  51  11.880  -7.190  -8.758
  181    HE2  LYS  51           HE2      LYS  51  10.479  -7.030 -10.795
  182    HE3  LYS  51           HE3      LYS  51   9.940  -5.415 -10.290
  183    HZ1  LYS  51           HZ1      LYS  51  12.169  -4.623 -10.477
  184    HZ2  LYS  51           HZ2      LYS  51  11.742  -5.301 -11.909
  185    HZ3  LYS  51           HZ3      LYS  51  12.763  -6.115 -10.904
  186    H    GLY  52           H        GLY  52   8.920  -8.665  -4.065
  187    HA2  GLY  52           HA2      GLY  52  11.447  -8.288  -2.564
  188    HA3  GLY  52           HA3      GLY  52   9.863  -7.671  -2.217
  189    H    THR  53           H        THR  53   8.486 -10.337  -2.455
  190    HA   THR  53           HA       THR  53   9.083 -11.286   0.262
  191    HB   THR  53           HB       THR  53   7.008 -12.486   0.108
  192    HG1  THR  53           HG1      THR  53   6.702 -11.374  -2.531
  193   HG21  THR  53          HG21      THR  53   5.373 -10.725  -0.219
  194   HG22  THR  53          HG22      THR  53   6.629  -9.662  -0.910
  195   HG23  THR  53          HG23      THR  53   6.735 -10.224   0.777
  196    H    LYS  54           H        LYS  54   8.829 -13.693   0.726
  197    HA   LYS  54           HA       LYS  54  10.542 -15.293  -1.060
  198    HB2  LYS  54           HB2      LYS  54   9.008 -16.248   1.385
  199    HB3  LYS  54           HB3      LYS  54  10.295 -17.081   0.552
  200    HG2  LYS  54           HG2      LYS  54  10.612 -14.483   2.123
  201    HG3  LYS  54           HG3      LYS  54  11.005 -16.103   2.700
  202    HD2  LYS  54           HD2      LYS  54  12.708 -16.322   0.901
  203    HD3  LYS  54           HD3      LYS  54  12.328 -14.667   0.365
  204    HE2  LYS  54           HE2      LYS  54  12.945 -13.787   2.591
  205    HE3  LYS  54           HE3      LYS  54  13.299 -15.425   3.160
  206    HZ1  LYS  54           HZ1      LYS  54  15.316 -14.243   2.443
  207    HZ2  LYS  54           HZ2      LYS  54  15.051 -15.569   1.488
  208    HZ3  LYS  54           HZ3      LYS  54  14.703 -14.056   0.939
  209    H    ASN  55           H        ASN  55   7.093 -15.109  -0.119
  210    HA   ASN  55           HA       ASN  55   6.332 -16.105  -2.776
  211    HB2  ASN  55           HB2      ASN  55   6.361 -18.021  -1.105
  212    HB3  ASN  55           HB3      ASN  55   5.247 -17.104  -0.085
  213   HD21  ASN  55          HD21      ASN  55   3.647 -18.694  -0.157
  214   HD22  ASN  55          HD22      ASN  55   2.854 -19.185  -1.648
  215    H    SER  56           H        SER  56   4.397 -15.259  -3.459
  216    HA   SER  56           HA       SER  56   3.154 -13.036  -1.909
  217    HB2  SER  56           HB2      SER  56   4.140 -12.544  -4.143
  218    HB3  SER  56           HB3      SER  56   3.009 -13.691  -4.881
  219    HG   SER  56           HG       SER  56   2.185 -11.556  -5.013
  220    H    ALA  57           H        ALA  57   2.438 -16.271  -3.037
  221    HA   ALA  57           HA       ALA  57  -0.259 -15.986  -3.775
  222    HB1  ALA  57           HB1      ALA  57   1.133 -18.442  -2.650
  223    HB2  ALA  57           HB2      ALA  57   1.287 -17.891  -4.328
  224    HB3  ALA  57           HB3      ALA  57  -0.286 -18.427  -3.711
  225    H    GLN  58           H        GLN  58   0.976 -16.211  -0.534
  226    HA   GLN  58           HA       GLN  58  -1.464 -17.213   0.687
  227    HB2  GLN  58           HB2      GLN  58  -0.250 -17.041   2.730
  228    HB3  GLN  58           HB3      GLN  58   0.799 -17.782   1.539
  229    HG2  GLN  58           HG2      GLN  58   0.999 -14.811   2.197
  230    HG3  GLN  58           HG3      GLN  58   1.735 -16.036   3.203
  231   HE21  GLN  58          HE21      GLN  58   3.909 -15.267   2.802
  232   HE22  GLN  58          HE22      GLN  58   4.547 -15.175   1.165
  233    H    PHE  59           H        PHE  59  -0.365 -14.116  -0.347
  234    HA   PHE  59           HA       PHE  59  -1.736 -12.536   1.680
  235    HB2  PHE  59           HB2      PHE  59  -0.385 -11.813  -0.917
  236    HB3  PHE  59           HB3      PHE  59  -1.210 -10.656   0.111
  237    HD1  PHE  59           HD1      PHE  59  -0.357 -10.048   2.343
  238    HD2  PHE  59           HD2      PHE  59   1.789 -12.825  -0.149
  239    HE1  PHE  59           HE1      PHE  59   1.671  -9.739   3.740
  240    HE2  PHE  59           HE2      PHE  59   3.809 -12.524   1.245
  241    HZ   PHE  59           HZ       PHE  59   3.766 -10.968   3.179
  242    H    GLU  60           H        GLU  60  -3.540 -11.209   1.333
  243    HA   GLU  60           HA       GLU  60  -5.557 -12.200  -0.658
  244    HB2  GLU  60           HB2      GLU  60  -5.956 -13.275   1.458
  245    HB3  GLU  60           HB3      GLU  60  -5.734 -11.763   2.350
  246    HG2  GLU  60           HG2      GLU  60  -7.774 -10.823   1.427
  247    HG3  GLU  60           HG3      GLU  60  -7.965 -12.198   0.332
  248    H    LYS  61           H        LYS  61  -4.555  -9.487   1.498
  249    HA   LYS  61           HA       LYS  61  -5.520  -7.660  -0.588
  250    HB2  LYS  61           HB2      LYS  61  -7.082  -6.513   0.522
  251    HB3  LYS  61           HB3      LYS  61  -7.426  -8.096   1.149
  252    HG2  LYS  61           HG2      LYS  61  -6.741  -7.527   3.334
  253    HG3  LYS  61           HG3      LYS  61  -5.629  -6.273   2.780
  254    HD2  LYS  61           HD2      LYS  61  -7.482  -4.886   2.020
  255    HD3  LYS  61           HD3      LYS  61  -8.648  -6.076   2.645
  256    HE2  LYS  61           HE2      LYS  61  -7.679  -5.693   4.930
  257    HE3  LYS  61           HE3      LYS  61  -6.584  -4.493   4.229
  258    HZ1  LYS  61           HZ1      LYS  61  -9.564  -4.301   4.263
  259    HZ2  LYS  61           HZ2      LYS  61  -8.587  -3.196   3.547
  260    HZ3  LYS  61           HZ3      LYS  61  -8.568  -3.394   5.151
  261    H    MET  62           H        MET  62  -5.073  -5.411  -0.094
  262    HA   MET  62           HA       MET  62  -2.862  -4.889   1.785
  263    HB2  MET  62           HB2      MET  62  -1.598  -3.577   0.180
  264    HB3  MET  62           HB3      MET  62  -1.768  -5.241  -0.369
  265    HG2  MET  62           HG2      MET  62  -3.548  -4.574  -1.933
  266    HG3  MET  62           HG3      MET  62  -3.407  -2.893  -1.383
  267    HE1  MET  62           HE1      MET  62  -1.878  -3.031  -5.082
  268    HE2  MET  62           HE2      MET  62  -3.146  -2.300  -4.076
  269    HE3  MET  62           HE3      MET  62  -3.183  -4.041  -4.452
  270    H    VAL  63           H        VAL  63  -2.574  -2.583   2.213
  271    HA   VAL  63           HA       VAL  63  -4.836  -0.842   1.522
  272    HB   VAL  63           HB       VAL  63  -5.275  -1.943   3.795
  273   HG11  VAL  63          HG11      VAL  63  -4.191  -1.421   5.646
  274   HG12  VAL  63          HG12      VAL  63  -3.336  -0.004   4.945
  275   HG13  VAL  63          HG13      VAL  63  -2.844  -1.647   4.516
  276   HG21  VAL  63          HG21      VAL  63  -5.084   1.094   3.696
  277   HG22  VAL  63          HG22      VAL  63  -6.063   0.122   4.815
  278   HG23  VAL  63          HG23      VAL  63  -6.439   0.112   3.083
  279    H    ILE  64           H        ILE  64  -4.155   1.116   0.949
  280    HA   ILE  64           HA       ILE  64  -1.225   1.718   1.108
  281    HB   ILE  64           HB       ILE  64  -3.337   2.744  -0.808
  282   HG12  ILE  64          HG12      ILE  64  -1.300   0.585  -1.462
  283   HG13  ILE  64          HG13      ILE  64  -2.957   0.209  -1.008
  284   HG21  ILE  64          HG21      ILE  64  -0.307   2.798  -1.084
  285   HG22  ILE  64          HG22      ILE  64  -1.293   4.177  -0.543
  286   HG23  ILE  64          HG23      ILE  64  -1.514   3.543  -2.159
  287   HD11  ILE  64          HD11      ILE  64  -3.803   1.537  -2.926
  288   HD12  ILE  64          HD12      ILE  64  -2.822   0.132  -3.377
  289   HD13  ILE  64          HD13      ILE  64  -2.121   1.756  -3.471
  290    H    LEU  65           H        LEU  65  -0.552   3.585   2.104
  291    HA   LEU  65           HA       LEU  65  -2.625   5.553   2.991
  292    HB2  LEU  65           HB2      LEU  65  -0.028   4.937   4.428
  293    HB3  LEU  65           HB3      LEU  65  -1.295   6.051   4.917
  294    HG   LEU  65           HG       LEU  65  -1.458   3.014   4.875
  295   HD11  LEU  65          HD11      LEU  65  -0.238   4.180   6.755
  296   HD12  LEU  65          HD12      LEU  65  -1.650   3.242   7.281
  297   HD13  LEU  65          HD13      LEU  65  -1.740   5.012   7.163
  298   HD21  LEU  65          HD21      LEU  65  -3.625   5.038   5.598
  299   HD22  LEU  65          HD22      LEU  65  -3.688   3.284   5.927
  300   HD23  LEU  65          HD23      LEU  65  -3.688   3.869   4.265
  301    H    THR  66           H        THR  66  -2.522   7.224   1.692
  302    HA   THR  66           HA       THR  66   0.103   8.104   0.578
  303    HB   THR  66           HB       THR  66  -1.139   9.376  -1.036
  304    HG1  THR  66           HG1      THR  66  -2.931   9.990   0.064
  305   HG21  THR  66          HG21      THR  66  -0.736   6.986  -1.551
  306   HG22  THR  66          HG22      THR  66  -2.192   7.629  -2.334
  307   HG23  THR  66          HG23      THR  66  -2.350   6.592  -0.901
  308    H    GLU  67           H        GLU  67   0.445  10.515   0.351
  309    HA   GLU  67           HA       GLU  67  -0.204  12.069   2.649
  310    HB2  GLU  67           HB2      GLU  67   0.134  13.250  -0.120
  311    HB3  GLU  67           HB3      GLU  67   0.382  14.018   1.443
  312    HG2  GLU  67           HG2      GLU  67   2.255  12.284   1.820
  313    HG3  GLU  67           HG3      GLU  67   2.095  11.891   0.110
  314    H    ASN  68           H        ASN  68  -1.698  13.905   2.766
  315    HA   ASN  68           HA       ASN  68  -3.825  14.719   2.907
  316    HB2  ASN  68           HB2      ASN  68  -4.103  13.888   0.022
  317    HB3  ASN  68           HB3      ASN  68  -4.924  15.211   0.815
  318   HD21  ASN  68          HD21      ASN  68  -2.540  14.648  -1.321
  319   HD22  ASN  68          HD22      ASN  68  -1.283  15.780  -0.770
  320    H    LYS  69           H        LYS  69  -3.574  12.304   4.022
  321    HA   LYS  69           HA       LYS  69  -4.768  10.791   5.149
  322    HB2  LYS  69           HB2      LYS  69  -7.147  12.480   4.321
  323    HB3  LYS  69           HB3      LYS  69  -7.011  11.474   5.761
  324    HG2  LYS  69           HG2      LYS  69  -5.355  12.959   6.751
  325    HG3  LYS  69           HG3      LYS  69  -5.219  13.894   5.258
  326    HD2  LYS  69           HD2      LYS  69  -6.569  15.210   6.626
  327    HD3  LYS  69           HD3      LYS  69  -7.653  14.468   5.441
  328    HE2  LYS  69           HE2      LYS  69  -8.289  12.748   7.109
  329    HE3  LYS  69           HE3      LYS  69  -7.230  13.520   8.293
  330    HZ1  LYS  69           HZ1      LYS  69  -9.643  14.730   7.037
  331    HZ2  LYS  69           HZ2      LYS  69  -8.626  15.568   8.012
  332    HZ3  LYS  69           HZ3      LYS  69  -9.484  14.288   8.613
  333    H    GLY  70           H        GLY  70  -4.681  10.354   2.073
  334    HA2  GLY  70           HA2      GLY  70  -7.008   8.791   1.415
  335    HA3  GLY  70           HA3      GLY  70  -5.460   8.763   0.569
  336    H    TYR  71           H        TYR  71  -7.568   6.854   2.041
  337    HA   TYR  71           HA       TYR  71  -5.560   4.808   2.890
  338    HB2  TYR  71           HB2      TYR  71  -6.659   5.813   4.842
  339    HB3  TYR  71           HB3      TYR  71  -8.235   5.509   4.150
  340    HD1  TYR  71           HD1      TYR  71  -8.874   2.981   3.703
  341    HD2  TYR  71           HD2      TYR  71  -5.796   4.266   6.466
  342    HE1  TYR  71           HE1      TYR  71  -9.197   0.928   5.067
  343    HE2  TYR  71           HE2      TYR  71  -6.216   2.272   7.853
  344    HH   TYR  71           HH       TYR  71  -7.700   0.497   8.246
  345    H    TYR  72           H        TYR  72  -5.575   3.391   1.256
  346    HA   TYR  72           HA       TYR  72  -8.162   2.782  -0.157
  347    HB2  TYR  72           HB2      TYR  72  -5.390   2.850  -1.358
  348    HB3  TYR  72           HB3      TYR  72  -6.874   2.473  -2.184
  349    HD1  TYR  72           HD1      TYR  72  -4.820   5.185  -0.715
  350    HD2  TYR  72           HD2      TYR  72  -8.394   4.209  -2.928
  351    HE1  TYR  72           HE1      TYR  72  -4.978   7.543  -1.516
  352    HE2  TYR  72           HE2      TYR  72  -8.541   6.549  -3.739
  353    HH   TYR  72           HH       TYR  72  -7.639   8.614  -3.671
  354    H    THR  73           H        THR  73  -8.818   0.893   0.626
  355    HA   THR  73           HA       THR  73  -7.060  -1.437   0.985
  356    HB   THR  73           HB       THR  73 -10.026  -0.912   1.098
  357    HG1  THR  73           HG1      THR  73  -9.564  -0.892   3.047
  358   HG21  THR  73          HG21      THR  73  -8.725  -3.628   0.866
  359   HG22  THR  73          HG22      THR  73 -10.175  -3.009   0.066
  360   HG23  THR  73          HG23      THR  73 -10.220  -3.387   1.792
  361    H    VAL  74           H        VAL  74  -6.609  -2.961  -0.510
  362    HA   VAL  74           HA       VAL  74  -8.249  -3.190  -2.991
  363    HB   VAL  74           HB       VAL  74  -5.218  -2.952  -2.883
  364   HG11  VAL  74          HG11      VAL  74  -7.011  -4.074  -5.059
  365   HG12  VAL  74          HG12      VAL  74  -5.601  -4.844  -4.302
  366   HG13  VAL  74          HG13      VAL  74  -5.372  -3.464  -5.362
  367   HG21  VAL  74          HG21      VAL  74  -5.589  -1.257  -4.669
  368   HG22  VAL  74          HG22      VAL  74  -6.357  -0.802  -3.146
  369   HG23  VAL  74          HG23      VAL  74  -7.344  -1.452  -4.472
  370    H    TYR  75           H        TYR  75  -8.897  -5.239  -3.249
  371    HA   TYR  75           HA       TYR  75  -7.715  -7.393  -1.626
  372    HB2  TYR  75           HB2      TYR  75 -10.115  -7.380  -3.483
  373    HB3  TYR  75           HB3      TYR  75  -9.629  -8.677  -2.395
  374    HD1  TYR  75           HD1      TYR  75  -9.635  -8.315   0.112
  375    HD2  TYR  75           HD2      TYR  75 -11.356  -5.472  -2.641
  376    HE1  TYR  75           HE1      TYR  75 -10.844  -7.219   1.988
  377    HE2  TYR  75           HE2      TYR  75 -12.556  -4.372  -0.763
  378    HH   TYR  75           HH       TYR  75 -12.792  -4.264   1.527
  379    H    LEU  76           H        LEU  76  -6.135  -8.598  -2.342
  380    HA   LEU  76           HA       LEU  76  -5.084  -8.345  -5.080
  381    HB2  LEU  76           HB2      LEU  76  -4.154  -9.850  -2.593
  382    HB3  LEU  76           HB3      LEU  76  -3.241  -9.762  -4.091
  383    HG   LEU  76           HG       LEU  76  -4.006  -7.289  -2.466
  384   HD11  LEU  76          HD11      LEU  76  -2.552  -8.758  -1.143
  385   HD12  LEU  76          HD12      LEU  76  -1.691  -7.310  -1.690
  386   HD13  LEU  76          HD13      LEU  76  -1.410  -8.867  -2.503
  387   HD21  LEU  76          HD21      LEU  76  -1.991  -7.752  -4.705
  388   HD22  LEU  76          HD22      LEU  76  -2.169  -6.247  -3.785
  389   HD23  LEU  76          HD23      LEU  76  -3.485  -6.793  -4.830
  390    H    ASN  77           H        ASN  77  -6.940 -10.640  -3.249
  391    HA   ASN  77           HA       ASN  77  -6.513 -12.976  -4.867
  392    HB2  ASN  77           HB2      ASN  77  -8.345 -13.903  -3.558
  393    HB3  ASN  77           HB3      ASN  77  -7.257 -13.007  -2.510
  394   HD21  ASN  77          HD21      ASN  77  -9.466 -13.429  -1.272
  395   HD22  ASN  77          HD22      ASN  77 -10.572 -12.050  -1.354
  396    H    THR  78           H        THR  78  -7.685 -10.227  -6.055
  397    HA   THR  78           HA       THR  78  -8.989 -11.606  -8.237
  398    HB   THR  78           HB       THR  78 -11.002 -11.090  -7.425
  399    HG1  THR  78           HG1      THR  78 -11.789  -9.152  -8.303
  400   HG21  THR  78          HG21      THR  78  -9.955  -8.432  -6.322
  401   HG22  THR  78          HG22      THR  78 -10.417  -9.851  -5.365
  402   HG23  THR  78          HG23      THR  78 -11.652  -8.955  -6.235
  403    HA   PRO  79           HA       PRO  79  -6.386  -8.768 -10.614
  404    HB2  PRO  79           HB2      PRO  79  -8.751  -8.829 -12.487
  405    HB3  PRO  79           HB3      PRO  79  -7.014  -9.049 -12.858
  406    HG2  PRO  79           HG2      PRO  79  -8.702 -11.187 -12.709
  407    HG3  PRO  79           HG3      PRO  79  -7.041 -11.273 -12.030
  408    HD2  PRO  79           HD2      PRO  79  -9.621 -10.944 -10.498
  409    HD3  PRO  79           HD3      PRO  79  -8.122 -11.841 -10.134
  410    H    LEU  80           H        LEU  80  -6.236  -6.490 -10.978
  411    HA   LEU  80           HA       LEU  80  -7.868  -4.951  -9.318
  412    HB2  LEU  80           HB2      LEU  80  -6.673  -3.139  -9.798
  413    HB3  LEU  80           HB3      LEU  80  -5.517  -4.378 -10.236
  414    HG   LEU  80           HG       LEU  80  -7.242  -2.771 -12.197
  415   HD11  LEU  80          HD11      LEU  80  -5.234  -1.479 -12.671
  416   HD12  LEU  80          HD12      LEU  80  -4.325  -2.392 -11.445
  417   HD13  LEU  80          HD13      LEU  80  -5.669  -1.341 -10.958
  418   HD21  LEU  80          HD21      LEU  80  -6.471  -4.923 -13.144
  419   HD22  LEU  80          HD22      LEU  80  -4.801  -4.529 -12.681
  420   HD23  LEU  80          HD23      LEU  80  -5.645  -3.551 -13.898
  421    H    ALA  81           H        ALA  81  -9.561  -3.569  -9.471
  422    HA   ALA  81           HA       ALA  81 -11.508  -3.907 -11.539
  423    HB1  ALA  81           HB1      ALA  81 -11.182  -1.740  -9.425
  424    HB2  ALA  81           HB2      ALA  81 -12.096  -3.261  -9.258
  425    HB3  ALA  81           HB3      ALA  81 -12.624  -2.028 -10.418
  426    H    GLU  82           H        GLU  82 -11.398  -3.131 -13.595
  427    HA   GLU  82           HA       GLU  82  -9.223  -1.566 -14.481
  428    HB2  GLU  82           HB2      GLU  82 -10.143  -1.626 -16.654
  429    HB3  GLU  82           HB3      GLU  82 -10.467  -3.160 -15.860
  430    HG2  GLU  82           HG2      GLU  82 -12.817  -2.273 -15.362
  431    HG3  GLU  82           HG3      GLU  82 -12.434  -0.905 -16.418
  432    H    ASP  83           H        ASP  83 -12.128  -0.275 -13.104
  433    HA   ASP  83           HA       ASP  83 -12.077   2.362 -14.271
  434    HB2  ASP  83           HB2      ASP  83 -13.170   1.152 -11.701
  435    HB3  ASP  83           HB3      ASP  83 -13.331   2.850 -12.105
  436    H    ARG  84           H        ARG  84 -10.127   0.796 -11.804
  437    HA   ARG  84           HA       ARG  84  -9.150   3.083 -10.357
  438    HB2  ARG  84           HB2      ARG  84  -7.925   0.354 -10.983
  439    HB3  ARG  84           HB3      ARG  84  -7.152   1.539  -9.965
  440    HG2  ARG  84           HG2      ARG  84  -9.105   1.553  -8.425
  441    HG3  ARG  84           HG3      ARG  84  -9.869   0.302  -9.427
  442    HD2  ARG  84           HD2      ARG  84  -7.852  -1.150  -9.033
  443    HD3  ARG  84           HD3      ARG  84  -7.239   0.054  -7.889
  444    HE   ARG  84           HE       ARG  84  -9.654  -0.337  -6.813
  445   HH11  ARG  84          HH11      ARG  84  -7.151  -2.690  -7.554
  446   HH12  ARG  84          HH12      ARG  84  -8.117  -4.022  -6.938
  447   HH21  ARG  84          HH21      ARG  84 -10.805  -2.084  -6.053
  448   HH22  ARG  84          HH22      ARG  84 -10.023  -3.632  -5.891
  449    H    LYS  85           H        LYS  85  -8.537   1.989 -13.556
  450    HA   LYS  85           HA       LYS  85  -5.913   3.214 -13.898
  451    HB2  LYS  85           HB2      LYS  85  -7.943   2.189 -15.903
  452    HB3  LYS  85           HB3      LYS  85  -6.317   2.745 -16.319
  453    HG2  LYS  85           HG2      LYS  85  -5.300   1.041 -14.869
  454    HG3  LYS  85           HG3      LYS  85  -6.895   0.451 -14.375
  455    HD2  LYS  85           HD2      LYS  85  -7.386  -0.276 -16.648
  456    HD3  LYS  85           HD3      LYS  85  -5.834   0.401 -17.223
  457    HE2  LYS  85           HE2      LYS  85  -4.688  -1.136 -15.516
  458    HE3  LYS  85           HE3      LYS  85  -6.271  -1.889 -15.256
  459    HZ1  LYS  85           HZ1      LYS  85  -5.152  -3.174 -16.878
  460    HZ2  LYS  85           HZ2      LYS  85  -4.702  -1.853 -17.768
  461    HZ3  LYS  85           HZ3      LYS  85  -6.265  -2.292 -17.732
  462    H    ASN  86           H        ASN  86  -8.993   4.560 -13.646
  463    HA   ASN  86           HA       ASN  86  -8.039   7.140 -14.835
  464    HB2  ASN  86           HB2      ASN  86 -10.829   5.911 -14.843
  465    HB3  ASN  86           HB3      ASN  86 -10.452   7.532 -15.394
  466   HD21  ASN  86          HD21      ASN  86 -11.639   5.264 -16.915
  467   HD22  ASN  86          HD22      ASN  86 -10.535   5.013 -18.254
  468    H    VAL  87           H        VAL  87  -8.762   5.720 -11.844
  469    HA   VAL  87           HA       VAL  87 -10.055   8.095 -10.674
  470    HB   VAL  87           HB       VAL  87 -10.449   5.671  -9.947
  471   HG11  VAL  87          HG11      VAL  87  -9.056   4.658  -8.378
  472   HG12  VAL  87          HG12      VAL  87  -8.005   6.085  -8.205
  473   HG13  VAL  87          HG13      VAL  87  -7.979   5.144  -9.702
  474   HG21  VAL  87          HG21      VAL  87  -9.791   7.686  -7.763
  475   HG22  VAL  87          HG22      VAL  87 -10.852   6.275  -7.634
  476   HG23  VAL  87          HG23      VAL  87 -11.308   7.615  -8.695
  477    H    GLU  88           H        GLU  88  -9.090   9.516  -9.255
  478    HA   GLU  88           HA       GLU  88  -6.216  10.023  -9.581
  479    HB2  GLU  88           HB2      GLU  88  -8.460  11.352  -8.004
  480    HB3  GLU  88           HB3      GLU  88  -6.810  11.963  -8.040
  481    HG2  GLU  88           HG2      GLU  88  -8.547  11.586 -10.528
  482    HG3  GLU  88           HG3      GLU  88  -8.376  13.106  -9.649
  483    H    LEU  89           H        LEU  89  -4.740  10.342  -7.857
  484    HA   LEU  89           HA       LEU  89  -5.173   8.693  -5.388
  485    HB2  LEU  89           HB2      LEU  89  -2.693   9.477  -6.974
  486    HB3  LEU  89           HB3      LEU  89  -2.587   8.903  -5.322
  487    HG   LEU  89           HG       LEU  89  -3.688   7.320  -7.670
  488   HD11  LEU  89          HD11      LEU  89  -1.659   5.957  -7.380
  489   HD12  LEU  89          HD12      LEU  89  -1.124   7.002  -6.046
  490   HD13  LEU  89          HD13      LEU  89  -1.215   7.640  -7.690
  491   HD21  LEU  89          HD21      LEU  89  -3.556   5.394  -6.073
  492   HD22  LEU  89          HD22      LEU  89  -4.790   6.566  -5.606
  493   HD23  LEU  89          HD23      LEU  89  -3.227   6.530  -4.753
  494    H    LEU  90           H        LEU  90  -5.573   9.861  -3.633
  495    HA   LEU  90           HA       LEU  90  -5.746  12.633  -3.462
  496    HB2  LEU  90           HB2      LEU  90  -5.533  10.404  -1.437
  497    HB3  LEU  90           HB3      LEU  90  -5.517  12.061  -0.866
  498    HG   LEU  90           HG       LEU  90  -7.743  11.020  -2.660
  499   HD11  LEU  90          HD11      LEU  90  -7.588  11.142   0.384
  500   HD12  LEU  90          HD12      LEU  90  -7.736   9.680  -0.628
  501   HD13  LEU  90          HD13      LEU  90  -9.066  10.838  -0.554
  502   HD21  LEU  90          HD21      LEU  90  -8.984  12.932  -1.680
  503   HD22  LEU  90          HD22      LEU  90  -7.558  13.484  -2.563
  504   HD23  LEU  90          HD23      LEU  90  -7.530  13.419  -0.787
  505    H    GLY  91           H        GLY  91  -2.869  10.718  -2.844
  506    HA2  GLY  91           HA2      GLY  91  -1.179  13.029  -3.174
  507    HA3  GLY  91           HA3      GLY  91  -1.212  12.472  -1.502
  508    H    LYS  92           H        LYS  92   1.138  12.356  -2.305
  509    HA   LYS  92           HA       LYS  92   2.098  10.252  -3.890
  510    HB2  LYS  92           HB2      LYS  92   3.137  12.439  -2.462
  511    HB3  LYS  92           HB3      LYS  92   3.876  11.092  -1.689
  512    HG2  LYS  92           HG2      LYS  92   5.328  11.793  -3.427
  513    HG3  LYS  92           HG3      LYS  92   4.576  10.326  -4.072
  514    HD2  LYS  92           HD2      LYS  92   3.023  11.673  -5.418
  515    HD3  LYS  92           HD3      LYS  92   3.608  13.162  -4.648
  516    HE2  LYS  92           HE2      LYS  92   5.881  12.717  -5.568
  517    HE3  LYS  92           HE3      LYS  92   5.228  11.309  -6.436
  518    HZ1  LYS  92           HZ1      LYS  92   5.313  13.309  -7.825
  519    HZ2  LYS  92           HZ2      LYS  92   4.338  14.123  -6.798
  520    HZ3  LYS  92           HZ3      LYS  92   3.745  12.814  -7.626
  521    H    MET  93           H        MET  93   3.143   8.314  -3.492
  522    HA   MET  93           HA       MET  93   1.849   6.460  -1.714
  523    HB2  MET  93           HB2      MET  93   2.624   5.904  -3.989
  524    HB3  MET  93           HB3      MET  93   4.302   6.164  -3.491
  525    HG2  MET  93           HG2      MET  93   3.852   4.185  -1.840
  526    HG3  MET  93           HG3      MET  93   2.444   3.882  -2.836
  527    HE1  MET  93           HE1      MET  93   6.196   1.811  -3.445
  528    HE2  MET  93           HE2      MET  93   4.819   1.758  -2.318
  529    HE3  MET  93           HE3      MET  93   6.022   3.064  -2.195
  530    H    TYR  94           H        TYR  94   2.590   7.940   0.285
  531    HA   TYR  94           HA       TYR  94   5.197   7.728   1.313
  532    HB2  TYR  94           HB2      TYR  94   3.692   9.241   2.357
  533    HB3  TYR  94           HB3      TYR  94   2.502   8.007   2.640
  534    HD1  TYR  94           HD1      TYR  94   6.049   8.872   3.555
  535    HD2  TYR  94           HD2      TYR  94   2.367   6.983   4.770
  536    HE1  TYR  94           HE1      TYR  94   7.036   8.386   5.783
  537    HE2  TYR  94           HE2      TYR  94   3.343   6.534   7.009
  538    HH   TYR  94           HH       TYR  94   6.715   7.418   7.826
  539    H    LYS  95           H        LYS  95   2.488   5.404   1.985
  540    HA   LYS  95           HA       LYS  95   4.462   3.252   2.389
  541    HB2  LYS  95           HB2      LYS  95   4.153   4.663   4.571
  542    HB3  LYS  95           HB3      LYS  95   2.575   3.915   4.674
  543    HG2  LYS  95           HG2      LYS  95   3.559   2.212   5.774
  544    HG3  LYS  95           HG3      LYS  95   4.343   1.740   4.283
  545    HD2  LYS  95           HD2      LYS  95   6.038   1.905   5.945
  546    HD3  LYS  95           HD3      LYS  95   6.259   3.284   4.856
  547    HE2  LYS  95           HE2      LYS  95   5.124   4.767   6.471
  548    HE3  LYS  95           HE3      LYS  95   4.759   3.394   7.520
  549    HZ1  LYS  95           HZ1      LYS  95   7.498   4.347   6.873
  550    HZ2  LYS  95           HZ2      LYS  95   7.141   3.110   7.902
  551    HZ3  LYS  95           HZ3      LYS  95   6.685   4.627   8.283
  552    H    THR  96           H        THR  96   3.501   1.124   2.596
  553    HA   THR  96           HA       THR  96   0.547   0.833   2.255
  554    HB   THR  96           HB       THR  96   2.559  -0.704   0.559
  555    HG1  THR  96           HG1      THR  96   2.183   1.566   0.160
  556   HG21  THR  96          HG21      THR  96   0.594  -1.397  -0.753
  557   HG22  THR  96          HG22      THR  96  -0.482  -0.536   0.361
  558   HG23  THR  96          HG23      THR  96   0.428  -1.958   0.900
  559    H    TYR  97           H        TYR  97  -0.257  -1.057   3.080
  560    HA   TYR  97           HA       TYR  97   1.617  -2.983   4.422
  561    HB2  TYR  97           HB2      TYR  97  -1.041  -2.120   5.648
  562    HB3  TYR  97           HB3      TYR  97   0.112  -3.231   6.268
  563    HD1  TYR  97           HD1      TYR  97  -0.548   0.349   5.634
  564    HD2  TYR  97           HD2      TYR  97   2.151  -2.555   7.332
  565    HE1  TYR  97           HE1      TYR  97   0.685   2.170   6.810
  566    HE2  TYR  97           HE2      TYR  97   3.369  -0.731   8.501
  567    HH   TYR  97           HH       TYR  97   2.372   2.708   8.227
  568    H    PHE  98           H        PHE  98   0.961  -5.130   4.502
  569    HA   PHE  98           HA       PHE  98  -1.221  -5.947   2.598
  570    HB2  PHE  98           HB2      PHE  98   1.636  -6.883   2.900
  571    HB3  PHE  98           HB3      PHE  98   0.437  -7.747   1.969
  572    HD1  PHE  98           HD1      PHE  98   2.185  -4.400   2.151
  573    HD2  PHE  98           HD2      PHE  98   0.043  -7.258  -0.246
  574    HE1  PHE  98           HE1      PHE  98   2.663  -3.062   0.108
  575    HE2  PHE  98           HE2      PHE  98   0.614  -5.963  -2.299
  576    HZ   PHE  98           HZ       PHE  98   1.955  -3.891  -2.108
  577    H    PHE  99           H        PHE  99  -2.185  -7.996   2.892
  578    HA   PHE  99           HA       PHE  99  -1.958  -9.171   5.642
  579    HB2  PHE  99           HB2      PHE  99  -4.495  -8.266   4.255
  580    HB3  PHE  99           HB3      PHE  99  -4.367  -8.962   5.857
  581    HD1  PHE  99           HD1      PHE  99  -3.665  -5.978   3.785
  582    HD2  PHE  99           HD2      PHE  99  -3.666  -7.556   7.793
  583    HE1  PHE  99           HE1      PHE  99  -3.272  -3.725   4.662
  584    HE2  PHE  99           HE2      PHE  99  -3.312  -5.257   8.679
  585    HZ   PHE  99           HZ       PHE  99  -3.066  -3.342   7.119
  586    H    LYS 100           H        LYS 100  -2.129 -11.310   5.720
  587    HA   LYS 100           HA       LYS 100  -2.746 -12.957   3.317
  588    HB2  LYS 100           HB2      LYS 100  -2.022 -13.861   6.130
  589    HB3  LYS 100           HB3      LYS 100  -2.181 -14.863   4.686
  590    HG2  LYS 100           HG2      LYS 100   0.086 -14.708   5.038
  591    HG3  LYS 100           HG3      LYS 100  -0.266 -13.686   3.641
  592    HD2  LYS 100           HD2      LYS 100   0.101 -11.700   4.847
  593    HD3  LYS 100           HD3      LYS 100  -0.013 -12.503   6.419
  594    HE2  LYS 100           HE2      LYS 100   2.214 -13.140   4.466
  595    HE3  LYS 100           HE3      LYS 100   2.285 -11.743   5.557
  596    HZ1  LYS 100           HZ1      LYS 100   2.002 -14.567   6.423
  597    HZ2  LYS 100           HZ2      LYS 100   1.961 -13.273   7.437
  598    HZ3  LYS 100           HZ3      LYS 100   3.323 -13.638   6.604
  599    H    LYS 101           H        LYS 101  -4.213 -14.981   3.970
  600    HA   LYS 101           HA       LYS 101  -6.830 -14.007   3.876
  601    HB2  LYS 101           HB2      LYS 101  -5.820 -16.733   4.707
  602    HB3  LYS 101           HB3      LYS 101  -7.531 -16.330   4.573
  603    HG2  LYS 101           HG2      LYS 101  -7.018 -15.548   2.156
  604    HG3  LYS 101           HG3      LYS 101  -5.457 -16.334   2.349
  605    HD2  LYS 101           HD2      LYS 101  -6.852 -17.930   1.270
  606    HD3  LYS 101           HD3      LYS 101  -6.751 -18.472   2.955
  607    HE2  LYS 101           HE2      LYS 101  -8.949 -17.253   3.379
  608    HE3  LYS 101           HE3      LYS 101  -9.026 -16.888   1.654
  609    HZ1  LYS 101           HZ1      LYS 101 -10.312 -18.849   2.185
  610    HZ2  LYS 101           HZ2      LYS 101  -9.016 -19.599   2.866
  611    HZ3  LYS 101           HZ3      LYS 101  -9.042 -19.317   1.243
  612    H    GLY 102           H        GLY 102  -8.120 -13.022   5.170
  613    HA2  GLY 102           HA2      GLY 102  -9.404 -12.499   6.955
  614    HA3  GLY 102           HA3      GLY 102  -8.838 -13.965   7.744
  615    H    GLU 103           H        GLU 103  -6.094 -11.969   7.252
  616    HA   GLU 103           HA       GLU 103  -5.748 -11.582  10.066
  617    HB2  GLU 103           HB2      GLU 103  -4.334 -10.266   7.715
  618    HB3  GLU 103           HB3      GLU 103  -3.806 -10.159   9.394
  619    HG2  GLU 103           HG2      GLU 103  -3.607 -12.665   9.440
  620    HG3  GLU 103           HG3      GLU 103  -3.908 -12.672   7.697
  621    H    SER 104           H        SER 104  -5.424  -9.652  11.292
  622    HA   SER 104           HA       SER 104  -6.668  -7.114  10.288
  623    HB2  SER 104           HB2      SER 104  -7.481  -6.645  12.518
  624    HB3  SER 104           HB3      SER 104  -8.296  -7.989  11.787
  625    HG   SER 104           HG       SER 104  -7.052  -9.425  13.018
  626    H    LYS 105           H        LYS 105  -3.749  -8.410  11.184
  627    HA   LYS 105           HA       LYS 105  -2.783  -5.618  11.277
  628    HB2  LYS 105           HB2      LYS 105  -2.734  -6.399  13.619
  629    HB3  LYS 105           HB3      LYS 105  -1.670  -7.741  13.155
  630    HG2  LYS 105           HG2      LYS 105   0.126  -6.278  12.643
  631    HG3  LYS 105           HG3      LYS 105  -0.881  -4.849  12.619
  632    HD2  LYS 105           HD2      LYS 105   0.102  -4.630  14.712
  633    HD3  LYS 105           HD3      LYS 105  -1.378  -5.462  15.170
  634    HE2  LYS 105           HE2      LYS 105  -0.206  -7.623  15.160
  635    HE3  LYS 105           HE3      LYS 105   1.251  -6.843  14.519
  636    HZ1  LYS 105           HZ1      LYS 105   1.453  -7.160  16.881
  637    HZ2  LYS 105           HZ2      LYS 105   0.084  -6.337  17.206
  638    HZ3  LYS 105           HZ3      LYS 105   1.397  -5.548  16.575
  639    H    SER 106           H        SER 106  -1.081  -5.277   9.991
  640    HA   SER 106           HA       SER 106  -0.532  -7.314   8.003
  641    HB2  SER 106           HB2      SER 106  -0.649  -4.899   7.526
  642    HB3  SER 106           HB3      SER 106   0.843  -4.634   8.439
  643    HG   SER 106           HG       SER 106   0.517  -6.280   6.153
  644    H    SER 107           H        SER 107   1.426  -8.282   7.431
  645    HA   SER 107           HA       SER 107   3.827  -8.076   9.195
  646    HB2  SER 107           HB2      SER 107   2.656 -10.547   7.885
  647    HB3  SER 107           HB3      SER 107   4.269 -10.466   8.605
  648    HG   SER 107           HG       SER 107   3.434 -10.168  10.583
  649    H    TYR 108           H        TYR 108   2.782  -7.019   6.293
  650    HA   TYR 108           HA       TYR 108   5.531  -7.010   5.365
  651    HB2  TYR 108           HB2      TYR 108   4.526  -8.974   4.156
  652    HB3  TYR 108           HB3      TYR 108   3.456  -7.869   3.326
  653    HD1  TYR 108           HD1      TYR 108   6.923  -8.790   3.947
  654    HD2  TYR 108           HD2      TYR 108   4.360  -6.508   1.385
  655    HE1  TYR 108           HE1      TYR 108   8.788  -8.606   2.271
  656    HE2  TYR 108           HE2      TYR 108   6.271  -6.271  -0.261
  657    HH   TYR 108           HH       TYR 108   8.451  -6.816  -0.775
  658    H    VAL 109           H        VAL 109   6.082  -5.096   4.648
  659    HA   VAL 109           HA       VAL 109   4.039  -3.128   3.785
  660    HB   VAL 109           HB       VAL 109   3.897  -2.646   5.907
  661   HG11  VAL 109          HG11      VAL 109   6.634  -3.636   6.377
  662   HG12  VAL 109          HG12      VAL 109   5.107  -4.184   7.074
  663   HG13  VAL 109          HG13      VAL 109   5.817  -2.664   7.630
  664   HG21  VAL 109          HG21      VAL 109   4.630  -0.535   5.071
  665   HG22  VAL 109          HG22      VAL 109   6.311  -0.935   5.523
  666   HG23  VAL 109          HG23      VAL 109   5.056  -0.771   6.761
  667    H    ILE 110           H        ILE 110   4.819  -1.222   2.916
  668    HA   ILE 110           HA       ILE 110   7.528  -1.438   1.661
  669    HB   ILE 110           HB       ILE 110   4.917  -1.055   0.208
  670   HG12  ILE 110          HG12      ILE 110   6.292  -3.648   0.862
  671   HG13  ILE 110          HG13      ILE 110   4.614  -3.253   0.941
  672   HG21  ILE 110          HG21      ILE 110   7.625  -1.914  -0.870
  673   HG22  ILE 110          HG22      ILE 110   7.067  -0.225  -0.887
  674   HG23  ILE 110          HG23      ILE 110   6.209  -1.433  -1.826
  675   HD11  ILE 110          HD11      ILE 110   4.828  -4.787  -0.822
  676   HD12  ILE 110          HD12      ILE 110   6.290  -4.012  -1.450
  677   HD13  ILE 110          HD13      ILE 110   4.688  -3.234  -1.664
  678    H    ASN 111           H        ASN 111   8.424   0.488   1.115
  679    HA   ASN 111           HA       ASN 111   7.121   2.917   2.256
  680    HB2  ASN 111           HB2      ASN 111  10.070   2.456   1.725
  681    HB3  ASN 111           HB3      ASN 111   9.345   3.617   2.822
  682   HD21  ASN 111          HD21      ASN 111   8.916   2.898   4.987
  683   HD22  ASN 111          HD22      ASN 111   9.597   1.386   5.524
  684    H    GLY 112           H        GLY 112   7.427   4.999   1.176
  685    HA2  GLY 112           HA2      GLY 112   8.792   5.166  -1.387
  686    HA3  GLY 112           HA3      GLY 112   7.040   5.086  -1.555
  687    HA   PRO 113           HA       PRO 113   8.478   9.528  -1.084
  688    HB2  PRO 113           HB2      PRO 113   7.245  10.595  -3.248
  689    HB3  PRO 113           HB3      PRO 113   8.771   9.678  -3.399
  690    HG2  PRO 113           HG2      PRO 113   5.946   8.598  -3.773
  691    HG3  PRO 113           HG3      PRO 113   7.301   8.510  -4.921
  692    HD2  PRO 113           HD2      PRO 113   6.729   6.480  -3.202
  693    HD3  PRO 113           HD3      PRO 113   8.437   6.909  -3.524
  694    H    GLY 114           H        GLY 114   7.453  10.823   0.159
  695    HA2  GLY 114           HA2      GLY 114   5.137  12.080   0.278
  696    HA3  GLY 114           HA3      GLY 114   4.634  10.514   0.917
  697    H    LYS 115           H        LYS 115   4.728  13.028   2.332
  698    HA   LYS 115           HA       LYS 115   6.960  12.670   4.313
  699    HB2  LYS 115           HB2      LYS 115   7.151  14.397   2.531
  700    HB3  LYS 115           HB3      LYS 115   5.714  15.199   3.181
  701    HG2  LYS 115           HG2      LYS 115   6.862  15.747   5.253
  702    HG3  LYS 115           HG3      LYS 115   8.231  14.713   4.820
  703    HD2  LYS 115           HD2      LYS 115   8.862  17.022   4.429
  704    HD3  LYS 115           HD3      LYS 115   8.768  16.163   2.905
  705    HE2  LYS 115           HE2      LYS 115   7.823  18.278   2.497
  706    HE3  LYS 115           HE3      LYS 115   6.456  17.166   2.543
  707    HZ1  LYS 115           HZ1      LYS 115   6.165  19.296   3.799
  708    HZ2  LYS 115           HZ2      LYS 115   7.320  18.813   4.861
  709    HZ3  LYS 115           HZ3      LYS 115   5.929  17.976   4.758
  710    H    THR 116           H        THR 116   3.500  13.366   4.020
  711    HA   THR 116           HA       THR 116   3.186  12.522   6.779
  712    HB   THR 116           HB       THR 116   3.496  14.881   7.234
  713    HG1  THR 116           HG1      THR 116   2.039  14.193   8.566
  714   HG21  THR 116          HG21      THR 116   1.161  15.444   5.353
  715   HG22  THR 116          HG22      THR 116   2.860  15.856   5.029
  716   HG23  THR 116          HG23      THR 116   2.008  16.609   6.388
  717    H    ASN 117           H        ASN 117   1.184  11.545   7.090
  718    HA   ASN 117           HA       ASN 117  -0.623  11.323   4.755
  719    HB2  ASN 117           HB2      ASN 117  -0.760  10.077   7.530
  720    HB3  ASN 117           HB3      ASN 117  -1.889   9.780   6.214
  721   HD21  ASN 117          HD21      ASN 117  -0.794   9.137   4.068
  722   HD22  ASN 117          HD22      ASN 117   0.532   7.997   4.217
  723    H    GLU 118           H        GLU 118  -0.293  13.442   7.523
  724    HA   GLU 118           HA       GLU 118  -3.055  13.871   8.073
  725    HB2  GLU 118           HB2      GLU 118  -0.730  15.807   8.457
  726    HB3  GLU 118           HB3      GLU 118  -2.332  15.925   9.176
  727    HG2  GLU 118           HG2      GLU 118  -1.885  13.725  10.362
  728    HG3  GLU 118           HG3      GLU 118  -0.224  13.825   9.785
  729    H    TYR 119           H        TYR 119  -1.263  14.950   5.493
  730    HA   TYR 119           HA       TYR 119  -2.126  15.849   3.562
  731    HB2  TYR 119           HB2      TYR 119  -3.619  17.486   3.243
  732    HB3  TYR 119           HB3      TYR 119  -4.287  16.571   4.552
  733    HD1  TYR 119           HD1      TYR 119  -2.332  18.259   6.656
  734    HD2  TYR 119           HD2      TYR 119  -5.239  19.198   3.613
  735    HE1  TYR 119           HE1      TYR 119  -2.747  20.447   7.732
  736    HE2  TYR 119           HE2      TYR 119  -5.681  21.376   4.708
  737    HH   TYR 119           HH       TYR 119  -3.783  22.481   7.532
  738    H    ALA 120           H        ALA 120  -0.995  17.132   2.258
  739    HA   ALA 120           HA       ALA 120   1.617  17.784   3.221
  740    HB1  ALA 120           HB1      ALA 120   1.151  16.594   1.135
  741    HB2  ALA 120           HB2      ALA 120   2.044  18.081   0.794
  742    HB3  ALA 120           HB3      ALA 120   0.299  18.016   0.482
  743    H    TYR 121           H        TYR 121   0.378  19.593   4.663
  744    HA   TYR 121           HA       TYR 121   1.100  22.209   3.512
  745    HB2  TYR 121           HB2      TYR 121  -1.312  21.694   2.929
  746    HB3  TYR 121           HB3      TYR 121  -1.657  21.578   4.642
  747    HD1  TYR 121           HD1      TYR 121   0.509  24.202   2.977
  748    HD2  TYR 121           HD2      TYR 121  -3.316  23.275   4.744
  749    HE1  TYR 121           HE1      TYR 121  -0.050  26.625   3.065
  750    HE2  TYR 121           HE2      TYR 121  -3.861  25.695   4.839
  751    HH   TYR 121           HH       TYR 121  -3.154  27.832   4.322
  752    H1   ACE   6           H1       ACE   6  14.546   4.856  -2.392
  753    H2   ACE   6           H2       ACE   6  13.519   4.374  -1.039
  754    H3   ACE   6           H3       ACE   6  13.902   6.090  -1.291
  755    H    THR   7           H        THR   7  13.499   6.500  -3.894
  756    HA   THR   7           HA       THR   7  10.642   6.685  -4.137
  757    HB   THR   7           HB       THR   7  12.424   8.302  -4.958
  758    HG1  THR   7           HG1      THR   7  11.206   9.096  -6.473
  759   HG21  THR   7          HG21      THR   7  12.485   6.437  -7.362
  760   HG22  THR   7          HG22      THR   7  13.810   6.670  -6.216
  761   HG23  THR   7          HG23      THR   7  13.272   8.018  -7.217
  762    H    THR   8           H        THR   8  12.652   4.266  -4.903
  763    HA   THR   8           HA       THR   8  10.472   2.645  -5.746
  764    HB   THR   8           HB       THR   8  10.983   3.319  -7.952
  765    HG1  THR   8           HG1      THR   8  10.449   1.063  -7.521
  766   HG21  THR   8          HG21      THR   8  13.715   2.057  -7.813
  767   HG22  THR   8          HG22      THR   8  13.421   3.823  -7.730
  768   HG23  THR   8          HG23      THR   8  12.949   2.910  -9.163
  769    HA   PRO   9           HA       PRO   9  13.839  -0.415  -4.751
  770    HB2  PRO   9           HB2      PRO   9  16.347   0.087  -3.988
  771    HB3  PRO   9           HB3      PRO   9  15.713   0.390  -5.643
  772    HG2  PRO   9           HG2      PRO   9  15.894   2.413  -3.362
  773    HG3  PRO   9           HG3      PRO   9  16.675   2.551  -4.979
  774    HD2  PRO   9           HD2      PRO   9  14.254   3.627  -4.460
  775    HD3  PRO   9           HD3      PRO   9  14.624   2.871  -6.041
  776    H    ASP  10           H        ASP  10  12.055   0.173  -3.199
  777    HA   ASP  10           HA       ASP  10  12.907  -0.961  -0.590
  778    HB2  ASP  10           HB2      ASP  10  11.245   1.531  -0.933
  779    HB3  ASP  10           HB3      ASP  10  10.629   0.332   0.202
  780    H2   TYS  11           H2       TYS  11  12.487  -2.970  -1.625
  781    HA   TYS  11           HA       TYS  11  10.003  -3.272  -3.156
  782    HB2  TYS  11           HB2      TYS  11  12.604  -4.764  -3.109
  783    HB3  TYS  11           HB3      TYS  11  11.178  -5.746  -3.376
  784    HD1  TYS  11           HD1      TYS  11   9.478  -5.146  -4.982
  785    HD2  TYS  11           HD2      TYS  11  13.078  -2.839  -4.681
  786    HE1  TYS  11           HE1      TYS  11   8.821  -3.989  -6.890
  787    HE2  TYS  11           HE2      TYS  11  12.311  -1.475  -6.571
  788    H    GLY  12           H        GLY  12  10.163  -3.031  -0.456
  789    HA2  GLY  12           HA2      GLY  12   8.469  -3.334   1.068
  790    HA3  GLY  12           HA3      GLY  12   7.994  -4.833   0.250
  791    H    HIS  13           H        HIS  13   8.177  -4.785   3.079
  792    HA   HIS  13           HA       HIS  13  10.328  -6.756   3.570
  793    HB2  HIS  13           HB2      HIS  13  11.064  -5.530   5.554
  794    HB3  HIS  13           HB3      HIS  13  11.486  -4.704   4.053
  795    HD1  HIS  13           HD1      HIS  13  10.206  -2.411   3.454
  796    HD2  HIS  13           HD2      HIS  13   9.000  -4.272   7.062
  797    HE1  HIS  13           HE1      HIS  13   8.416  -0.895   4.591
  798    HE2  HIS  13           HE2      HIS  13   8.137  -1.773   6.967
  799    H2   TYS  14           H2       TYS  14  10.051  -8.048   5.337
  800    HA   TYS  14           HA       TYS  14   7.319  -8.109   6.374
  801    HB2  TYS  14           HB2      TYS  14   9.642 -10.071   6.601
  802    HB3  TYS  14           HB3      TYS  14   8.149 -10.280   7.477
  803    HD1  TYS  14           HD1      TYS  14   9.520 -10.153   3.923
  804    HD2  TYS  14           HD2      TYS  14   6.088 -10.986   6.431
  805    HE1  TYS  14           HE1      TYS  14   8.587 -11.532   2.225
  806    HE2  TYS  14           HE2      TYS  14   5.136 -12.319   4.657
  807    H    ASP  15           H        ASP  15   6.802  -6.821   7.907
  808    HA   ASP  15           HA       ASP  15   8.785  -5.973   9.912
  809    HB2  ASP  15           HB2      ASP  15   7.480  -4.180  10.257
  810    HB3  ASP  15           HB3      ASP  15   6.964  -4.548   8.643
  811    H    ASP  16           H        ASP  16   8.090  -5.791  12.238
  812    HA   ASP  16           HA       ASP  16   6.053  -7.721  13.135
  813    HB2  ASP  16           HB2      ASP  16   8.943  -7.829  14.054
  814    HB3  ASP  16           HB3      ASP  16   7.643  -8.509  15.020
  815    H    LYS  17           H        LYS  17   6.300  -4.786  13.013
  816    HA   LYS  17           HA       LYS  17   5.196  -4.038  15.514
  817    HB2  LYS  17           HB2      LYS  17   6.923  -2.475  16.387
  818    HB3  LYS  17           HB3      LYS  17   7.384  -4.163  16.524
  819    HG2  LYS  17           HG2      LYS  17   8.853  -3.952  14.545
  820    HG3  LYS  17           HG3      LYS  17   8.375  -2.249  14.386
  821    HD2  LYS  17           HD2      LYS  17   9.394  -1.715  16.547
  822    HD3  LYS  17           HD3      LYS  17   9.768  -3.426  16.813
  823    HE2  LYS  17           HE2      LYS  17  11.771  -2.303  16.066
  824    HE3  LYS  17           HE3      LYS  17  11.242  -3.446  14.831
  825    HZ1  LYS  17           HZ1      LYS  17  10.770  -0.516  14.767
  826    HZ2  LYS  17           HZ2      LYS  17  10.321  -1.557  13.569
  827    HZ3  LYS  17           HZ3      LYS  17  11.916  -1.314  13.910
  828    H    ASP  18           H        ASP  18   6.828  -2.951  12.585
  829    HA   ASP  18           HA       ASP  18   5.850  -0.219  12.784
  830    HB2  ASP  18           HB2      ASP  18   7.254  -1.714  10.534
  831    HB3  ASP  18           HB3      ASP  18   6.959   0.028  10.585
  832    H    THR  19           H        THR  19   4.440  -3.069  11.657
  833    HA   THR  19           HA       THR  19   2.711  -2.785   9.670
  834    HB   THR  19           HB       THR  19   2.847  -4.731  11.137
  835    HG1  THR  19           HG1      THR  19   1.191  -5.233  10.434
  836   HG21  THR  19          HG21      THR  19   1.282  -3.243  13.226
  837   HG22  THR  19          HG22      THR  19   3.036  -3.574  13.319
  838   HG23  THR  19          HG23      THR  19   1.933  -4.913  13.264
  839    H    LEU  20           H        LEU  20   0.313  -2.576   9.619
  840    HA   LEU  20           HA       LEU  20  -0.850  -0.369  11.224
  841    HB2  LEU  20           HB2      LEU  20  -0.999   0.301   8.898
  842    HB3  LEU  20           HB3      LEU  20  -1.431  -1.346   8.403
  843    HG   LEU  20           HG       LEU  20  -3.602  -1.132   9.504
  844   HD11  LEU  20          HD11      LEU  20  -2.765   1.747  10.061
  845   HD12  LEU  20          HD12      LEU  20  -3.114   0.505  11.283
  846   HD13  LEU  20          HD13      LEU  20  -4.411   1.093  10.236
  847   HD21  LEU  20          HD21      LEU  20  -2.957   1.202   7.647
  848   HD22  LEU  20          HD22      LEU  20  -4.514   0.349   7.791
  849   HD23  LEU  20          HD23      LEU  20  -3.086  -0.494   7.166
  850    H    ASP  21           H        ASP  21  -1.873  -1.256  12.823
  851    HA   ASP  21           HA       ASP  21  -3.287  -3.818  12.745
  852    HB2  ASP  21           HB2      ASP  21  -3.994  -3.187  15.018
  853    HB3  ASP  21           HB3      ASP  21  -2.250  -3.255  14.819
  854    H    LEU  22           H        LEU  22  -5.067  -3.958  11.711
  855    HA   LEU  22           HA       LEU  22  -6.601  -1.708  10.729
  856    HB2  LEU  22           HB2      LEU  22  -5.904  -4.371   9.964
  857    HB3  LEU  22           HB3      LEU  22  -7.645  -4.422  10.215
  858    HG   LEU  22           HG       LEU  22  -7.885  -2.611   8.530
  859   HD11  LEU  22          HD11      LEU  22  -5.827  -1.365   8.797
  860   HD12  LEU  22          HD12      LEU  22  -5.782  -2.074   7.180
  861   HD13  LEU  22          HD13      LEU  22  -4.840  -2.814   8.510
  862   HD21  LEU  22          HD21      LEU  22  -6.022  -4.899   7.718
  863   HD22  LEU  22          HD22      LEU  22  -6.983  -3.923   6.599
  864   HD23  LEU  22          HD23      LEU  22  -7.802  -4.978   7.777
  865    H    ASN  23           H        ASN  23  -6.898  -3.573  13.536
  866    HA   ASN  23           HA       ASN  23  -9.755  -3.748  13.756
  867    HB2  ASN  23           HB2      ASN  23  -7.605  -3.831  15.897
  868    HB3  ASN  23           HB3      ASN  23  -9.282  -4.335  16.089
  869   HD21  ASN  23          HD21      ASN  23  -6.187  -5.434  15.334
  870   HD22  ASN  23          HD22      ASN  23  -6.695  -6.967  14.615
  871    H    THR  24           H        THR  24  -8.147  -0.881  13.601
  872    HA   THR  24           HA       THR  24 -10.473   0.456  14.689
  873    HB   THR  24           HB       THR  24  -8.942   0.271  16.653
  874    HG1  THR  24           HG1      THR  24  -9.554   2.088  17.366
  875   HG21  THR  24          HG21      THR  24  -7.057   1.738  16.910
  876   HG22  THR  24          HG22      THR  24  -7.277   2.418  15.286
  877   HG23  THR  24          HG23      THR  24  -6.766   0.722  15.489
  878    HA   PRO  25           HA       PRO  25  -9.263   2.875  11.081
  879    HB2  PRO  25           HB2      PRO  25 -11.295   4.649  10.950
  880    HB3  PRO  25           HB3      PRO  25 -11.599   2.895  10.753
  881    HG2  PRO  25           HG2      PRO  25 -11.909   4.546  13.289
  882    HG3  PRO  25           HG3      PRO  25 -13.088   3.457  12.555
  883    HD2  PRO  25           HD2      PRO  25 -11.425   2.667  14.565
  884    HD3  PRO  25           HD3      PRO  25 -11.903   1.546  13.257
  885    H    VAL  26           H        VAL  26  -7.704   4.436  10.917
  886    HA   VAL  26           HA       VAL  26  -8.178   7.094  11.785
  887    HB   VAL  26           HB       VAL  26  -7.477   6.161  13.980
  888   HG11  VAL  26          HG11      VAL  26  -5.795   4.503  13.214
  889   HG12  VAL  26          HG12      VAL  26  -5.176   5.593  14.462
  890   HG13  VAL  26          HG13      VAL  26  -4.704   5.835  12.772
  891   HG21  VAL  26          HG21      VAL  26  -5.484   8.215  12.962
  892   HG22  VAL  26          HG22      VAL  26  -6.030   7.950  14.622
  893   HG23  VAL  26          HG23      VAL  26  -7.173   8.565  13.421
  894    H    ASP  27           H        ASP  27  -6.843   8.559  10.787
  895    HA   ASP  27           HA       ASP  27  -4.351   7.715   9.406
  896    HB2  ASP  27           HB2      ASP  27  -5.157   8.945   7.300
  897    HB3  ASP  27           HB3      ASP  27  -5.771   7.328   7.616
  898    H    LYS  28           H        LYS  28  -6.199  10.190  10.938
  899    HA   LYS  28           HA       LYS  28  -3.798  11.918  11.133
  900    HB2  LYS  28           HB2      LYS  28  -5.251  12.758   9.309
  901    HB3  LYS  28           HB3      LYS  28  -6.616  12.869  10.428
  902    HG2  LYS  28           HG2      LYS  28  -5.464  14.599  11.734
  903    HG3  LYS  28           HG3      LYS  28  -3.988  14.379  10.783
  904    HD2  LYS  28           HD2      LYS  28  -5.246  15.023   8.726
  905    HD3  LYS  28           HD3      LYS  28  -6.663  15.386   9.724
  906    HE2  LYS  28           HE2      LYS  28  -5.558  17.196  10.824
  907    HE3  LYS  28           HE3      LYS  28  -3.971  16.706  10.231
  908    HZ1  LYS  28           HZ1      LYS  28  -6.165  17.627   8.464
  909    HZ2  LYS  28           HZ2      LYS  28  -4.950  18.584   8.999
  910    HZ3  LYS  28           HZ3      LYS  28  -4.617  17.296   8.001
  911    HN1  NH2  29           HN1      NH2  29  -7.199  11.399  12.317
  912    HN2  NH2  29           HN2      NH2  29  -6.759  11.609  13.996
  Start of MODEL   19
    1    H1   ASN  31           H1       ASN  31   9.292  20.333 -16.309
    2    H2   ASN  31           H2       ASN  31   9.402  19.361 -14.982
    3    H3   ASN  31           H3       ASN  31   8.311  19.031 -16.183
    4    HA   ASN  31           HA       ASN  31   8.273  21.225 -14.245
    5    HB2  ASN  31           HB2      ASN  31   6.629  20.925 -16.788
    6    HB3  ASN  31           HB3      ASN  31   6.211  22.034 -15.475
    7   HD21  ASN  31          HD21      ASN  31   6.653  23.117 -17.953
    8   HD22  ASN  31          HD22      ASN  31   8.156  24.042 -17.891
    9    H    SER  32           H        SER  32   5.271  20.951 -14.280
   10    HA   SER  32           HA       SER  32   5.072  19.248 -12.022
   11    HB2  SER  32           HB2      SER  32   3.734  21.264 -12.439
   12    HB3  SER  32           HB3      SER  32   2.957  20.482 -13.828
   13    HG   SER  32           HG       SER  32   1.645  20.328 -12.034
   14    H    GLY  33           H        GLY  33   3.982  17.278 -11.667
   15    HA2  GLY  33           HA2      GLY  33   2.155  16.066 -13.283
   16    HA3  GLY  33           HA3      GLY  33   3.655  15.364 -13.866
   17    H    LEU  34           H        LEU  34   1.643  13.807 -12.875
   18    HA   LEU  34           HA       LEU  34   2.919  12.397 -10.616
   19    HB2  LEU  34           HB2      LEU  34   0.089  13.522 -10.671
   20    HB3  LEU  34           HB3      LEU  34   0.466  12.117  -9.712
   21    HG   LEU  34           HG       LEU  34   1.772  14.836  -9.319
   22   HD11  LEU  34          HD11      LEU  34  -0.621  14.831  -8.746
   23   HD12  LEU  34          HD12      LEU  34   0.385  14.946  -7.297
   24   HD13  LEU  34          HD13      LEU  34  -0.387  13.401  -7.718
   25   HD21  LEU  34          HD21      LEU  34   3.236  12.998  -8.543
   26   HD22  LEU  34          HD22      LEU  34   1.881  12.271  -7.653
   27   HD23  LEU  34          HD23      LEU  34   2.537  13.848  -7.169
   28    HA   PRO  35           HA       PRO  35   1.382   8.837 -12.971
   29    HB2  PRO  35           HB2      PRO  35   0.830   7.044 -10.930
   30    HB3  PRO  35           HB3      PRO  35   2.454   7.315 -11.649
   31    HG2  PRO  35           HG2      PRO  35   1.326   8.390  -9.078
   32    HG3  PRO  35           HG3      PRO  35   2.995   7.867  -9.425
   33    HD2  PRO  35           HD2      PRO  35   2.228  10.516  -9.353
   34    HD3  PRO  35           HD3      PRO  35   3.539   9.932 -10.399
   35    H    THR  36           H        THR  36  -0.371   9.998 -10.113
   36    HA   THR  36           HA       THR  36  -2.450  10.549  -9.695
   37    HB   THR  36           HB       THR  36  -1.672  11.971 -11.566
   38    HG1  THR  36           HG1      THR  36  -3.466  13.123 -11.478
   39   HG21  THR  36          HG21      THR  36  -3.120  12.120 -13.560
   40   HG22  THR  36          HG22      THR  36  -3.912  10.598 -13.108
   41   HG23  THR  36          HG23      THR  36  -2.189  10.626 -13.556
   42    H    THR  37           H        THR  37  -2.385   7.648 -11.531
   43    HA   THR  37           HA       THR  37  -5.184   7.154 -10.578
   44    HB   THR  37           HB       THR  37  -5.538   5.658 -12.499
   45    HG1  THR  37           HG1      THR  37  -3.834   5.187 -13.561
   46   HG21  THR  37          HG21      THR  37  -6.079   7.356 -14.129
   47   HG22  THR  37          HG22      THR  37  -4.960   8.508 -13.374
   48   HG23  THR  37          HG23      THR  37  -6.420   7.988 -12.505
   49    H    LEU  38           H        LEU  38  -5.515   5.386  -9.394
   50    HA   LEU  38           HA       LEU  38  -3.345   4.202  -8.169
   51    HB2  LEU  38           HB2      LEU  38  -5.647   4.605  -7.285
   52    HB3  LEU  38           HB3      LEU  38  -6.226   3.324  -8.372
   53    HG   LEU  38           HG       LEU  38  -4.827   1.716  -7.202
   54   HD11  LEU  38          HD11      LEU  38  -4.006   2.236  -4.926
   55   HD12  LEU  38          HD12      LEU  38  -4.387   3.946  -5.182
   56   HD13  LEU  38          HD13      LEU  38  -3.134   3.131  -6.166
   57   HD21  LEU  38          HD21      LEU  38  -6.269   1.485  -5.219
   58   HD22  LEU  38          HD22      LEU  38  -7.209   1.955  -6.643
   59   HD23  LEU  38          HD23      LEU  38  -6.798   3.172  -5.411
   60    H    GLY  39           H        GLY  39  -5.211   2.836 -10.903
   61    HA2  GLY  39           HA2      GLY  39  -4.403   0.193 -10.886
   62    HA3  GLY  39           HA3      GLY  39  -4.584   1.140 -12.356
   63    H    LYS  40           H        LYS  40  -2.366   2.930 -12.042
   64    HA   LYS  40           HA       LYS  40  -0.141   1.311 -12.922
   65    HB2  LYS  40           HB2      LYS  40  -0.256   4.238 -12.028
   66    HB3  LYS  40           HB3      LYS  40   1.149   3.443 -12.747
   67    HG2  LYS  40           HG2      LYS  40  -0.440   2.821 -14.707
   68    HG3  LYS  40           HG3      LYS  40  -1.519   4.064 -14.055
   69    HD2  LYS  40           HD2      LYS  40   0.219   5.776 -14.337
   70    HD3  LYS  40           HD3      LYS  40   1.410   4.527 -14.770
   71    HE2  LYS  40           HE2      LYS  40  -0.048   3.882 -16.719
   72    HE3  LYS  40           HE3      LYS  40  -1.079   5.276 -16.360
   73    HZ1  LYS  40           HZ1      LYS  40   0.814   6.713 -16.742
   74    HZ2  LYS  40           HZ2      LYS  40   1.814   5.413 -17.019
   75    HZ3  LYS  40           HZ3      LYS  40   0.564   5.744 -18.052
   76    H    LEU  41           H        LEU  41  -0.937   2.705  -9.762
   77    HA   LEU  41           HA       LEU  41   1.621   1.951  -8.565
   78    HB2  LEU  41           HB2      LEU  41   0.327   3.874  -7.725
   79    HB3  LEU  41           HB3      LEU  41  -1.017   2.803  -7.319
   80    HG   LEU  41           HG       LEU  41   0.428   1.612  -5.686
   81   HD11  LEU  41          HD11      LEU  41   2.550   2.649  -4.939
   82   HD12  LEU  41          HD12      LEU  41   2.478   3.785  -6.302
   83   HD13  LEU  41          HD13      LEU  41   2.682   2.039  -6.585
   84   HD21  LEU  41          HD21      LEU  41  -1.000   3.459  -4.983
   85   HD22  LEU  41          HD22      LEU  41   0.331   4.608  -5.267
   86   HD23  LEU  41          HD23      LEU  41   0.479   3.353  -4.004
   87    H    ASP  42           H        ASP  42  -1.677   0.511  -8.674
   88    HA   ASP  42           HA       ASP  42  -1.167  -1.771  -7.039
   89    HB2  ASP  42           HB2      ASP  42  -3.404  -1.218  -7.703
   90    HB3  ASP  42           HB3      ASP  42  -2.997  -1.243  -9.413
   91    H    GLU  43           H        GLU  43  -0.413  -1.282 -10.480
   92    HA   GLU  43           HA       GLU  43   0.572  -3.964 -10.947
   93    HB2  GLU  43           HB2      GLU  43  -0.097  -2.285 -12.710
   94    HB3  GLU  43           HB3      GLU  43   1.314  -1.327 -12.298
   95    HG2  GLU  43           HG2      GLU  43   1.825  -2.515 -14.269
   96    HG3  GLU  43           HG3      GLU  43   2.733  -3.282 -12.974
   97    H    ARG  44           H        ARG  44   2.220  -0.900 -10.026
   98    HA   ARG  44           HA       ARG  44   4.848  -1.968  -9.717
   99    HB2  ARG  44           HB2      ARG  44   4.153   0.479  -9.857
  100    HB3  ARG  44           HB3      ARG  44   3.567   0.352  -8.213
  101    HG2  ARG  44           HG2      ARG  44   5.704   1.419  -8.180
  102    HG3  ARG  44           HG3      ARG  44   5.851  -0.151  -7.410
  103    HD2  ARG  44           HD2      ARG  44   7.813   0.262  -8.779
  104    HD3  ARG  44           HD3      ARG  44   6.902  -1.069  -9.473
  105    HE   ARG  44           HE       ARG  44   6.498   0.190 -11.383
  106   HH11  ARG  44          HH11      ARG  44   7.732   2.501  -8.994
  107   HH12  ARG  44          HH12      ARG  44   7.976   3.714 -10.238
  108   HH21  ARG  44          HH21      ARG  44   6.983   1.714 -12.838
  109   HH22  ARG  44          HH22      ARG  44   7.578   3.274 -12.341
  110    H    LEU  45           H        LEU  45   2.244  -1.659  -7.283
  111    HA   LEU  45           HA       LEU  45   3.781  -2.702  -5.100
  112    HB2  LEU  45           HB2      LEU  45   0.799  -2.432  -5.616
  113    HB3  LEU  45           HB3      LEU  45   1.447  -3.017  -4.088
  114    HG   LEU  45           HG       LEU  45   2.116  -0.279  -5.261
  115   HD11  LEU  45          HD11      LEU  45   0.126  -1.148  -3.133
  116   HD12  LEU  45          HD12      LEU  45  -0.245  -0.441  -4.710
  117   HD13  LEU  45          HD13      LEU  45   0.585   0.535  -3.480
  118   HD21  LEU  45          HD21      LEU  45   2.849   0.189  -2.928
  119   HD22  LEU  45          HD22      LEU  45   3.878  -0.968  -3.775
  120   HD23  LEU  45          HD23      LEU  45   2.705  -1.537  -2.561
  121    H    ARG  46           H        ARG  46   1.539  -4.375  -7.364
  122    HA   ARG  46           HA       ARG  46   1.823  -6.959  -6.049
  123    HB2  ARG  46           HB2      ARG  46   0.933  -6.151  -8.838
  124    HB3  ARG  46           HB3      ARG  46   0.979  -7.833  -8.284
  125    HG2  ARG  46           HG2      ARG  46  -0.582  -7.286  -6.439
  126    HG3  ARG  46           HG3      ARG  46  -0.620  -5.597  -6.961
  127    HD2  ARG  46           HD2      ARG  46  -1.370  -6.529  -9.252
  128    HD3  ARG  46           HD3      ARG  46  -1.700  -8.034  -8.414
  129    HE   ARG  46           HE       ARG  46  -2.939  -5.351  -7.805
  130   HH11  ARG  46          HH11      ARG  46  -3.599  -8.862  -7.909
  131   HH12  ARG  46          HH12      ARG  46  -5.308  -8.497  -7.718
  132   HH21  ARG  46          HH21      ARG  46  -4.919  -5.150  -7.383
  133   HH22  ARG  46          HH22      ARG  46  -6.004  -6.564  -7.206
  134    H    ASN  47           H        ASN  47   3.845  -5.177  -8.308
  135    HA   ASN  47           HA       ASN  47   5.697  -7.454  -8.667
  136    HB2  ASN  47           HB2      ASN  47   5.698  -4.526  -9.458
  137    HB3  ASN  47           HB3      ASN  47   7.146  -5.502  -9.562
  138   HD21  ASN  47          HD21      ASN  47   5.405  -4.260 -11.732
  139   HD22  ASN  47          HD22      ASN  47   4.989  -5.647 -12.751
  140    H    TYR  48           H        TYR  48   5.682  -4.522  -6.559
  141    HA   TYR  48           HA       TYR  48   8.037  -5.203  -5.189
  142    HB2  TYR  48           HB2      TYR  48   5.677  -3.483  -4.640
  143    HB3  TYR  48           HB3      TYR  48   6.522  -4.008  -3.263
  144    HD1  TYR  48           HD1      TYR  48   6.962  -2.116  -6.464
  145    HD2  TYR  48           HD2      TYR  48   8.486  -2.891  -2.514
  146    HE1  TYR  48           HE1      TYR  48   8.602  -0.270  -6.730
  147    HE2  TYR  48           HE2      TYR  48  10.054  -0.974  -2.768
  148    HH   TYR  48           HH       TYR  48  10.410   0.802  -5.817
  149    H    LEU  49           H        LEU  49   4.869  -6.670  -4.690
  150    HA   LEU  49           HA       LEU  49   5.727  -8.204  -2.390
  151    HB2  LEU  49           HB2      LEU  49   3.597  -8.486  -4.534
  152    HB3  LEU  49           HB3      LEU  49   3.946  -9.871  -3.511
  153    HG   LEU  49           HG       LEU  49   3.316  -7.191  -2.289
  154   HD11  LEU  49          HD11      LEU  49   1.406  -7.773  -3.731
  155   HD12  LEU  49          HD12      LEU  49   0.973  -8.084  -2.042
  156   HD13  LEU  49          HD13      LEU  49   1.401  -9.435  -3.090
  157   HD21  LEU  49          HD21      LEU  49   4.312  -8.930  -0.840
  158   HD22  LEU  49          HD22      LEU  49   3.013 -10.049  -1.274
  159   HD23  LEU  49          HD23      LEU  49   2.654  -8.563  -0.367
  160    H    LYS  50           H        LYS  50   5.880  -9.041  -5.889
  161    HA   LYS  50           HA       LYS  50   7.016 -11.653  -5.335
  162    HB2  LYS  50           HB2      LYS  50   7.117 -10.044  -7.904
  163    HB3  LYS  50           HB3      LYS  50   7.421 -11.781  -7.699
  164    HG2  LYS  50           HG2      LYS  50   5.108 -12.188  -7.045
  165    HG3  LYS  50           HG3      LYS  50   4.730 -10.467  -7.130
  166    HD2  LYS  50           HD2      LYS  50   5.686 -12.132  -9.486
  167    HD3  LYS  50           HD3      LYS  50   3.992 -11.760  -9.140
  168    HE2  LYS  50           HE2      LYS  50   4.379  -9.369  -9.407
  169    HE3  LYS  50           HE3      LYS  50   6.117  -9.612  -9.597
  170    HZ1  LYS  50           HZ1      LYS  50   4.915  -9.335 -11.708
  171    HZ2  LYS  50           HZ2      LYS  50   4.108 -10.752 -11.453
  172    HZ3  LYS  50           HZ3      LYS  50   5.719 -10.781 -11.649
  173    H    LYS  51           H        LYS  51   8.476  -8.524  -6.167
  174    HA   LYS  51           HA       LYS  51  11.245  -9.389  -6.239
  175    HB2  LYS  51           HB2      LYS  51   9.796  -6.791  -5.805
  176    HB3  LYS  51           HB3      LYS  51  11.552  -6.906  -5.634
  177    HG2  LYS  51           HG2      LYS  51  10.239  -7.857  -8.178
  178    HG3  LYS  51           HG3      LYS  51  10.519  -6.145  -7.880
  179    HD2  LYS  51           HD2      LYS  51  12.925  -6.533  -7.513
  180    HD3  LYS  51           HD3      LYS  51  12.696  -8.274  -7.835
  181    HE2  LYS  51           HE2      LYS  51  11.798  -7.723 -10.071
  182    HE3  LYS  51           HE3      LYS  51  12.023  -5.998  -9.749
  183    HZ1  LYS  51           HZ1      LYS  51  13.826  -6.960 -11.089
  184    HZ2  LYS  51           HZ2      LYS  51  14.420  -6.374  -9.675
  185    HZ3  LYS  51           HZ3      LYS  51  14.200  -8.001  -9.883
  186    H    GLY  52           H        GLY  52   9.081  -8.462  -3.536
  187    HA2  GLY  52           HA2      GLY  52  11.456  -8.137  -1.790
  188    HA3  GLY  52           HA3      GLY  52   9.859  -7.442  -1.603
  189    H    THR  53           H        THR  53   8.591 -10.210  -1.972
  190    HA   THR  53           HA       THR  53   9.105 -11.233   0.777
  191    HB   THR  53           HB       THR  53   6.958 -12.167   0.725
  192    HG1  THR  53           HG1      THR  53   6.689 -11.270  -1.986
  193   HG21  THR  53          HG21      THR  53   5.463 -10.345   0.534
  194   HG22  THR  53          HG22      THR  53   6.569  -9.467  -0.557
  195   HG23  THR  53          HG23      THR  53   7.002  -9.735   1.141
  196    H    LYS  54           H        LYS  54   8.961 -13.570   1.169
  197    HA   LYS  54           HA       LYS  54  10.408 -15.176  -0.722
  198    HB2  LYS  54           HB2      LYS  54   8.666 -16.065   1.603
  199    HB3  LYS  54           HB3      LYS  54   9.800 -17.084   0.738
  200    HG2  LYS  54           HG2      LYS  54  11.703 -15.901   1.606
  201    HG3  LYS  54           HG3      LYS  54  10.697 -14.589   2.230
  202    HD2  LYS  54           HD2      LYS  54   9.566 -16.165   3.763
  203    HD3  LYS  54           HD3      LYS  54  10.626 -17.476   3.204
  204    HE2  LYS  54           HE2      LYS  54  12.595 -16.278   4.075
  205    HE3  LYS  54           HE3      LYS  54  11.577 -14.895   4.515
  206    HZ1  LYS  54           HZ1      LYS  54  11.357 -17.620   5.663
  207    HZ2  LYS  54           HZ2      LYS  54  10.331 -16.398   5.996
  208    HZ3  LYS  54           HZ3      LYS  54  11.883 -16.291   6.485
  209    H    ASN  55           H        ASN  55   6.946 -14.762  -0.012
  210    HA   ASN  55           HA       ASN  55   6.193 -15.763  -2.669
  211    HB2  ASN  55           HB2      ASN  55   6.277 -17.809  -1.269
  212    HB3  ASN  55           HB3      ASN  55   5.298 -17.007  -0.042
  213   HD21  ASN  55          HD21      ASN  55   3.569 -18.377  -0.044
  214   HD22  ASN  55          HD22      ASN  55   2.541 -18.647  -1.438
  215    H    SER  56           H        SER  56   4.989 -14.127  -3.380
  216    HA   SER  56           HA       SER  56   3.268 -12.406  -1.923
  217    HB2  SER  56           HB2      SER  56   4.125 -12.001  -4.210
  218    HB3  SER  56           HB3      SER  56   3.140 -13.327  -4.832
  219    HG   SER  56           HG       SER  56   2.189 -11.204  -5.092
  220    H    ALA  57           H        ALA  57   2.606 -15.683  -3.191
  221    HA   ALA  57           HA       ALA  57  -0.130 -15.323  -3.571
  222    HB1  ALA  57           HB1      ALA  57   1.353 -17.936  -3.101
  223    HB2  ALA  57           HB2      ALA  57   1.253 -17.061  -4.647
  224    HB3  ALA  57           HB3      ALA  57  -0.208 -17.741  -3.915
  225    H    GLN  58           H        GLN  58   1.255 -15.650  -0.447
  226    HA   GLN  58           HA       GLN  58  -1.060 -16.935   0.808
  227    HB2  GLN  58           HB2      GLN  58   0.116 -16.537   2.871
  228    HB3  GLN  58           HB3      GLN  58   1.225 -17.240   1.696
  229    HG2  GLN  58           HG2      GLN  58   2.206 -14.983   1.272
  230    HG3  GLN  58           HG3      GLN  58   1.093 -14.268   2.429
  231   HE21  GLN  58          HE21      GLN  58   4.201 -14.693   2.310
  232   HE22  GLN  58          HE22      GLN  58   4.511 -15.290   3.929
  233    H    PHE  59           H        PHE  59  -0.244 -13.730  -0.234
  234    HA   PHE  59           HA       PHE  59  -1.851 -12.333   1.770
  235    HB2  PHE  59           HB2      PHE  59  -0.407 -11.380  -0.706
  236    HB3  PHE  59           HB3      PHE  59  -1.278 -10.348   0.422
  237    HD1  PHE  59           HD1      PHE  59  -0.530 -10.113   2.787
  238    HD2  PHE  59           HD2      PHE  59   1.867 -12.195  -0.101
  239    HE1  PHE  59           HE1      PHE  59   1.436  -9.907   4.280
  240    HE2  PHE  59           HE2      PHE  59   3.825 -12.028   1.393
  241    HZ   PHE  59           HZ       PHE  59   3.622 -10.860   3.569
  242    H    GLU  60           H        GLU  60  -3.787 -11.196   1.393
  243    HA   GLU  60           HA       GLU  60  -5.389 -12.201  -0.948
  244    HB2  GLU  60           HB2      GLU  60  -7.326 -12.334   0.377
  245    HB3  GLU  60           HB3      GLU  60  -6.068 -13.366   1.078
  246    HG2  GLU  60           HG2      GLU  60  -5.657 -11.720   2.812
  247    HG3  GLU  60           HG3      GLU  60  -6.761 -10.563   2.086
  248    H    LYS  61           H        LYS  61  -4.725  -9.452   1.172
  249    HA   LYS  61           HA       LYS  61  -5.513  -7.728  -1.023
  250    HB2  LYS  61           HB2      LYS  61  -7.149  -6.440  -0.063
  251    HB3  LYS  61           HB3      LYS  61  -7.635  -8.074   0.312
  252    HG2  LYS  61           HG2      LYS  61  -6.949  -7.757   2.669
  253    HG3  LYS  61           HG3      LYS  61  -6.342  -6.131   2.285
  254    HD2  LYS  61           HD2      LYS  61  -8.572  -5.414   1.543
  255    HD3  LYS  61           HD3      LYS  61  -9.176  -7.057   1.725
  256    HE2  LYS  61           HE2      LYS  61  -8.530  -6.764   4.250
  257    HE3  LYS  61           HE3      LYS  61  -8.457  -5.038   3.834
  258    HZ1  LYS  61           HZ1      LYS  61 -10.666  -5.492   4.600
  259    HZ2  LYS  61           HZ2      LYS  61 -10.806  -6.833   3.689
  260    HZ3  LYS  61           HZ3      LYS  61 -10.815  -5.345   2.977
  261    H    MET  62           H        MET  62  -5.253  -5.460  -0.439
  262    HA   MET  62           HA       MET  62  -3.029  -4.861   1.397
  263    HB2  MET  62           HB2      MET  62  -1.666  -3.775  -0.286
  264    HB3  MET  62           HB3      MET  62  -1.918  -5.465  -0.720
  265    HG2  MET  62           HG2      MET  62  -3.595  -4.836  -2.386
  266    HG3  MET  62           HG3      MET  62  -3.464  -3.136  -1.920
  267    HE1  MET  62           HE1      MET  62  -3.120  -2.489  -4.495
  268    HE2  MET  62           HE2      MET  62  -3.279  -4.218  -4.887
  269    HE3  MET  62           HE3      MET  62  -1.915  -3.286  -5.532
  270    H    VAL  63           H        VAL  63  -2.705  -2.611   1.746
  271    HA   VAL  63           HA       VAL  63  -4.868  -0.769   0.902
  272    HB   VAL  63           HB       VAL  63  -5.485  -1.824   3.096
  273   HG11  VAL  63          HG11      VAL  63  -4.234  -1.709   4.959
  274   HG12  VAL  63          HG12      VAL  63  -3.313  -0.259   4.441
  275   HG13  VAL  63          HG13      VAL  63  -2.967  -1.845   3.757
  276   HG21  VAL  63          HG21      VAL  63  -6.007   0.221   4.321
  277   HG22  VAL  63          HG22      VAL  63  -6.354   0.426   2.599
  278   HG23  VAL  63          HG23      VAL  63  -4.897   1.158   3.305
  279    H    ILE  64           H        ILE  64  -4.230   1.333   0.760
  280    HA   ILE  64           HA       ILE  64  -1.268   1.828   0.828
  281    HB   ILE  64           HB       ILE  64  -3.338   2.531  -1.285
  282   HG12  ILE  64          HG12      ILE  64  -0.985   0.662  -1.695
  283   HG13  ILE  64          HG13      ILE  64  -2.528   0.035  -1.132
  284   HG21  ILE  64          HG21      ILE  64  -0.313   2.947  -1.315
  285   HG22  ILE  64          HG22      ILE  64  -1.523   4.235  -1.096
  286   HG23  ILE  64          HG23      ILE  64  -1.449   3.360  -2.615
  287   HD11  ILE  64          HD11      ILE  64  -3.671   0.932  -3.107
  288   HD12  ILE  64          HD12      ILE  64  -2.421  -0.256  -3.497
  289   HD13  ILE  64          HD13      ILE  64  -2.094   1.467  -3.760
  290    H    LEU  65           H        LEU  65  -0.780   3.509   2.062
  291    HA   LEU  65           HA       LEU  65  -2.769   5.704   2.493
  292    HB2  LEU  65           HB2      LEU  65  -0.338   4.859   4.117
  293    HB3  LEU  65           HB3      LEU  65  -1.371   6.242   4.464
  294    HG   LEU  65           HG       LEU  65  -2.067   3.286   4.644
  295   HD11  LEU  65          HD11      LEU  65  -0.799   4.387   6.544
  296   HD12  LEU  65          HD12      LEU  65  -2.381   3.741   7.005
  297   HD13  LEU  65          HD13      LEU  65  -2.170   5.486   6.751
  298   HD21  LEU  65          HD21      LEU  65  -3.949   5.645   4.977
  299   HD22  LEU  65          HD22      LEU  65  -4.259   3.981   5.525
  300   HD23  LEU  65          HD23      LEU  65  -4.080   4.314   3.799
  301    H    THR  66           H        THR  66  -2.299   7.678   1.746
  302    HA   THR  66           HA       THR  66   0.379   8.124   0.471
  303    HB   THR  66           HB       THR  66  -0.664   9.494  -1.197
  304    HG1  THR  66           HG1      THR  66  -2.353  10.380  -0.193
  305   HG21  THR  66          HG21      THR  66  -0.593   7.068  -1.682
  306   HG22  THR  66          HG22      THR  66  -1.949   7.880  -2.471
  307   HG23  THR  66          HG23      THR  66  -2.235   6.892  -1.028
  308    H    GLU  67           H        GLU  67   0.970  10.430   0.217
  309    HA   GLU  67           HA       GLU  67   0.411  12.094   2.512
  310    HB2  GLU  67           HB2      GLU  67   1.240  13.159  -0.155
  311    HB3  GLU  67           HB3      GLU  67   1.595  13.785   1.457
  312    HG2  GLU  67           HG2      GLU  67   2.937  11.530   1.767
  313    HG3  GLU  67           HG3      GLU  67   2.822  11.410   0.020
  314    H    ASN  68           H        ASN  68  -0.617  14.357   2.066
  315    HA   ASN  68           HA       ASN  68  -2.567  15.495   1.932
  316    HB2  ASN  68           HB2      ASN  68  -2.825  14.248  -0.809
  317    HB3  ASN  68           HB3      ASN  68  -3.475  15.798  -0.287
  318   HD21  ASN  68          HD21      ASN  68  -1.260  14.840  -2.353
  319   HD22  ASN  68          HD22      ASN  68   0.116  15.871  -1.876
  320    H    LYS  69           H        LYS  69  -2.657  13.079   3.247
  321    HA   LYS  69           HA       LYS  69  -3.928  11.734   4.442
  322    HB2  LYS  69           HB2      LYS  69  -6.085  13.780   3.853
  323    HB3  LYS  69           HB3      LYS  69  -6.097  12.601   5.168
  324    HG2  LYS  69           HG2      LYS  69  -3.895  13.615   5.987
  325    HG3  LYS  69           HG3      LYS  69  -4.138  14.896   4.793
  326    HD2  LYS  69           HD2      LYS  69  -4.957  15.751   6.840
  327    HD3  LYS  69           HD3      LYS  69  -6.385  15.361   5.868
  328    HE2  LYS  69           HE2      LYS  69  -6.579  13.183   7.134
  329    HE3  LYS  69           HE3      LYS  69  -5.195  13.670   8.123
  330    HZ1  LYS  69           HZ1      LYS  69  -6.503  15.623   8.820
  331    HZ2  LYS  69           HZ2      LYS  69  -7.295  14.237   9.231
  332    HZ3  LYS  69           HZ3      LYS  69  -7.779  15.107   7.921
  333    H    GLY  70           H        GLY  70  -3.946  10.941   1.557
  334    HA2  GLY  70           HA2      GLY  70  -6.523   9.671   1.134
  335    HA3  GLY  70           HA3      GLY  70  -5.063   9.399   0.198
  336    H    TYR  71           H        TYR  71  -7.068   7.563   1.051
  337    HA   TYR  71           HA       TYR  71  -5.396   5.366   2.093
  338    HB2  TYR  71           HB2      TYR  71  -6.633   6.093   4.067
  339    HB3  TYR  71           HB3      TYR  71  -8.120   6.207   3.150
  340    HD1  TYR  71           HD1      TYR  71  -9.061   3.962   2.097
  341    HD2  TYR  71           HD2      TYR  71  -6.407   4.180   5.510
  342    HE1  TYR  71           HE1      TYR  71  -9.848   1.748   2.861
  343    HE2  TYR  71           HE2      TYR  71  -7.292   2.032   6.318
  344    HH   TYR  71           HH       TYR  71  -8.958   0.472   6.059
  345    H    TYR  72           H        TYR  72  -5.738   3.569   0.801
  346    HA   TYR  72           HA       TYR  72  -8.218   3.292  -0.839
  347    HB2  TYR  72           HB2      TYR  72  -5.417   2.994  -1.996
  348    HB3  TYR  72           HB3      TYR  72  -6.936   2.851  -2.849
  349    HD1  TYR  72           HD1      TYR  72  -4.601   5.234  -1.187
  350    HD2  TYR  72           HD2      TYR  72  -8.029   4.798  -3.774
  351    HE1  TYR  72           HE1      TYR  72  -4.465   7.655  -1.784
  352    HE2  TYR  72           HE2      TYR  72  -7.836   7.190  -4.425
  353    HH   TYR  72           HH       TYR  72  -6.607   9.081  -4.246
  354    H    THR  73           H        THR  73  -8.750   1.052  -1.220
  355    HA   THR  73           HA       THR  73  -6.782  -0.975  -0.217
  356    HB   THR  73           HB       THR  73  -8.242  -0.469   1.610
  357    HG1  THR  73           HG1      THR  73  -8.582  -2.423   2.124
  358   HG21  THR  73          HG21      THR  73 -10.575  -1.342  -0.137
  359   HG22  THR  73          HG22      THR  73 -10.305   0.272   0.554
  360   HG23  THR  73          HG23      THR  73 -10.618  -1.104   1.618
  361    H    VAL  74           H        VAL  74  -6.713  -2.940  -1.187
  362    HA   VAL  74           HA       VAL  74  -8.527  -3.501  -3.482
  363    HB   VAL  74           HB       VAL  74  -5.501  -3.265  -3.798
  364   HG11  VAL  74          HG11      VAL  74  -6.474  -4.939  -5.286
  365   HG12  VAL  74          HG12      VAL  74  -6.024  -3.515  -6.214
  366   HG13  VAL  74          HG13      VAL  74  -7.734  -3.795  -5.810
  367   HG21  VAL  74          HG21      VAL  74  -5.966  -1.372  -5.344
  368   HG22  VAL  74          HG22      VAL  74  -6.377  -0.990  -3.677
  369   HG23  VAL  74          HG23      VAL  74  -7.670  -1.392  -4.832
  370    H    TYR  75           H        TYR  75  -9.011  -5.629  -3.506
  371    HA   TYR  75           HA       TYR  75  -7.509  -7.643  -2.044
  372    HB2  TYR  75           HB2      TYR  75  -9.828  -7.774  -3.975
  373    HB3  TYR  75           HB3      TYR  75  -9.023  -9.216  -3.381
  374    HD1  TYR  75           HD1      TYR  75  -9.118  -9.898  -1.022
  375    HD2  TYR  75           HD2      TYR  75 -11.206  -6.394  -2.417
  376    HE1  TYR  75           HE1      TYR  75 -10.400  -9.813   1.103
  377    HE2  TYR  75           HE2      TYR  75 -12.501  -6.333  -0.312
  378    HH   TYR  75           HH       TYR  75 -11.904  -8.665   2.332
  379    H    LEU  76           H        LEU  76  -6.127  -9.101  -2.688
  380    HA   LEU  76           HA       LEU  76  -4.684  -8.781  -5.257
  381    HB2  LEU  76           HB2      LEU  76  -4.067 -10.261  -2.672
  382    HB3  LEU  76           HB3      LEU  76  -2.995 -10.218  -4.065
  383    HG   LEU  76           HG       LEU  76  -3.891  -7.681  -2.616
  384   HD11  LEU  76          HD11      LEU  76  -1.736  -7.724  -1.501
  385   HD12  LEU  76          HD12      LEU  76  -1.356  -9.306  -2.226
  386   HD13  LEU  76          HD13      LEU  76  -2.693  -9.140  -1.059
  387   HD21  LEU  76          HD21      LEU  76  -1.605  -8.268  -4.539
  388   HD22  LEU  76          HD22      LEU  76  -1.867  -6.730  -3.691
  389   HD23  LEU  76          HD23      LEU  76  -3.045  -7.281  -4.886
  390    H    ASN  77           H        ASN  77  -6.986 -10.928  -3.810
  391    HA   ASN  77           HA       ASN  77  -6.443 -13.300  -5.360
  392    HB2  ASN  77           HB2      ASN  77  -9.133 -12.242  -4.402
  393    HB3  ASN  77           HB3      ASN  77  -8.746 -13.909  -4.801
  394   HD21  ASN  77          HD21      ASN  77  -9.760 -12.521  -2.336
  395   HD22  ASN  77          HD22      ASN  77  -8.749 -13.224  -1.075
  396    H    THR  78           H        THR  78  -7.419 -10.196  -6.412
  397    HA   THR  78           HA       THR  78  -8.632 -11.134  -8.941
  398    HB   THR  78           HB       THR  78 -10.386  -9.295  -8.564
  399    HG1  THR  78           HG1      THR  78  -9.696  -8.234  -6.783
  400   HG21  THR  78          HG21      THR  78 -10.556 -11.631  -6.611
  401   HG22  THR  78          HG22      THR  78 -10.856 -11.763  -8.362
  402   HG23  THR  78          HG23      THR  78 -11.893 -10.736  -7.365
  403    HA   PRO  79           HA       PRO  79  -6.426  -7.447 -10.489
  404    HB2  PRO  79           HB2      PRO  79  -8.613  -7.437 -12.551
  405    HB3  PRO  79           HB3      PRO  79  -6.847  -7.366 -12.792
  406    HG2  PRO  79           HG2      PRO  79  -8.198  -9.656 -13.310
  407    HG3  PRO  79           HG3      PRO  79  -6.618  -9.712 -12.447
  408    HD2  PRO  79           HD2      PRO  79  -9.389  -9.798 -11.228
  409    HD3  PRO  79           HD3      PRO  79  -7.986 -10.878 -10.943
  410    H    LEU  80           H        LEU  80  -6.838  -5.163 -10.232
  411    HA   LEU  80           HA       LEU  80  -9.229  -4.564  -8.744
  412    HB2  LEU  80           HB2      LEU  80  -8.423  -2.572  -8.197
  413    HB3  LEU  80           HB3      LEU  80  -6.952  -3.494  -8.424
  414    HG   LEU  80           HG       LEU  80  -8.100  -1.453 -10.381
  415   HD11  LEU  80          HD11      LEU  80  -6.251  -0.037  -9.608
  416   HD12  LEU  80          HD12      LEU  80  -5.722  -1.308  -8.482
  417   HD13  LEU  80          HD13      LEU  80  -7.273  -0.488  -8.246
  418   HD21  LEU  80          HD21      LEU  80  -5.419  -2.896 -10.367
  419   HD22  LEU  80          HD22      LEU  80  -5.854  -1.575 -11.455
  420   HD23  LEU  80          HD23      LEU  80  -6.713  -3.118 -11.565
  421    H    ALA  81           H        ALA  81 -11.148  -3.805  -9.322
  422    HA   ALA  81           HA       ALA  81 -12.052  -4.083 -11.943
  423    HB1  ALA  81           HB1      ALA  81 -13.362  -2.545  -9.663
  424    HB2  ALA  81           HB2      ALA  81 -13.402  -4.312  -9.877
  425    HB3  ALA  81           HB3      ALA  81 -14.178  -3.261 -11.068
  426    H    GLU  82           H        GLU  82 -13.265  -2.553 -13.305
  427    HA   GLU  82           HA       GLU  82 -11.530  -0.786 -14.470
  428    HB2  GLU  82           HB2      GLU  82 -13.339   0.022 -15.854
  429    HB3  GLU  82           HB3      GLU  82 -13.381  -1.728 -15.669
  430    HG2  GLU  82           HG2      GLU  82 -15.289  -1.622 -14.195
  431    HG3  GLU  82           HG3      GLU  82 -15.145   0.129 -14.023
  432    H    ASP  83           H        ASP  83 -13.855   0.270 -11.976
  433    HA   ASP  83           HA       ASP  83 -13.198   3.117 -12.405
  434    HB2  ASP  83           HB2      ASP  83 -14.571   1.708 -10.087
  435    HB3  ASP  83           HB3      ASP  83 -14.462   3.448 -10.294
  436    H    ARG  84           H        ARG  84 -12.062   0.495 -10.335
  437    HA   ARG  84           HA       ARG  84 -10.472   2.122  -8.492
  438    HB2  ARG  84           HB2      ARG  84 -10.445  -0.876  -9.098
  439    HB3  ARG  84           HB3      ARG  84  -9.575  -0.091  -7.777
  440    HG2  ARG  84           HG2      ARG  84 -11.624   0.603  -6.710
  441    HG3  ARG  84           HG3      ARG  84 -12.599   0.050  -8.082
  442    HD2  ARG  84           HD2      ARG  84 -11.991  -2.270  -7.662
  443    HD3  ARG  84           HD3      ARG  84 -10.927  -1.784  -6.326
  444    HE   ARG  84           HE       ARG  84 -13.434  -0.705  -5.709
  445   HH11  ARG  84          HH11      ARG  84 -12.394  -4.012  -6.358
  446   HH12  ARG  84          HH12      ARG  84 -13.499  -4.670  -5.182
  447   HH21  ARG  84          HH21      ARG  84 -14.675  -1.626  -4.105
  448   HH22  ARG  84          HH22      ARG  84 -14.649  -3.351  -3.867
  449    H    LYS  85           H        LYS  85  -9.907   0.616 -11.622
  450    HA   LYS  85           HA       LYS  85  -7.045   0.887 -11.756
  451    HB2  LYS  85           HB2      LYS  85  -9.254   0.997 -13.850
  452    HB3  LYS  85           HB3      LYS  85  -7.543   1.157 -14.272
  453    HG2  LYS  85           HG2      LYS  85  -7.032  -1.013 -13.305
  454    HG3  LYS  85           HG3      LYS  85  -8.713  -1.219 -12.778
  455    HD2  LYS  85           HD2      LYS  85  -9.482  -1.252 -15.091
  456    HD3  LYS  85           HD3      LYS  85  -7.841  -0.912 -15.682
  457    HE2  LYS  85           HE2      LYS  85  -7.008  -3.014 -14.892
  458    HE3  LYS  85           HE3      LYS  85  -8.466  -3.330 -13.939
  459    HZ1  LYS  85           HZ1      LYS  85  -8.322  -4.548 -16.087
  460    HZ2  LYS  85           HZ2      LYS  85  -8.525  -3.126 -16.895
  461    HZ3  LYS  85           HZ3      LYS  85  -9.706  -3.690 -15.898
  462    H    ASN  86           H        ASN  86  -9.575   3.275 -11.936
  463    HA   ASN  86           HA       ASN  86  -7.639   5.374 -12.820
  464    HB2  ASN  86           HB2      ASN  86 -10.459   4.720 -13.747
  465    HB3  ASN  86           HB3      ASN  86  -9.659   6.242 -14.113
  466   HD21  ASN  86          HD21      ASN  86 -10.177   3.211 -15.419
  467   HD22  ASN  86          HD22      ASN  86  -8.669   3.048 -16.317
  468    H    VAL  87           H        VAL  87  -9.261   4.573 -10.130
  469    HA   VAL  87           HA       VAL  87 -10.336   7.030  -9.190
  470    HB   VAL  87           HB       VAL  87 -10.497   4.723  -8.171
  471   HG11  VAL  87          HG11      VAL  87  -8.893   3.965  -6.580
  472   HG12  VAL  87          HG12      VAL  87  -7.840   5.374  -6.882
  473   HG13  VAL  87          HG13      VAL  87  -8.142   4.177  -8.165
  474   HG21  VAL  87          HG21      VAL  87  -9.694   6.968  -6.259
  475   HG22  VAL  87          HG22      VAL  87 -10.624   5.515  -5.840
  476   HG23  VAL  87          HG23      VAL  87 -11.315   6.701  -6.942
  477    H    GLU  88           H        GLU  88  -9.454   8.737  -8.100
  478    HA   GLU  88           HA       GLU  88  -6.945   9.608  -9.230
  479    HB2  GLU  88           HB2      GLU  88  -8.805  10.929  -7.216
  480    HB3  GLU  88           HB3      GLU  88  -7.537  11.745  -8.110
  481    HG2  GLU  88           HG2      GLU  88  -8.702  11.540 -10.186
  482    HG3  GLU  88           HG3      GLU  88  -9.794  10.310  -9.567
  483    H    LEU  89           H        LEU  89  -4.963   9.579  -8.347
  484    HA   LEU  89           HA       LEU  89  -4.516   8.807  -5.539
  485    HB2  LEU  89           HB2      LEU  89  -2.658   9.572  -7.800
  486    HB3  LEU  89           HB3      LEU  89  -2.101   9.096  -6.207
  487    HG   LEU  89           HG       LEU  89  -3.689   7.359  -8.146
  488   HD11  LEU  89          HD11      LEU  89  -0.806   7.135  -7.204
  489   HD12  LEU  89          HD12      LEU  89  -1.326   7.737  -8.789
  490   HD13  LEU  89          HD13      LEU  89  -1.636   6.054  -8.344
  491   HD21  LEU  89          HD21      LEU  89  -2.584   6.754  -5.363
  492   HD22  LEU  89          HD22      LEU  89  -3.085   5.506  -6.511
  493   HD23  LEU  89          HD23      LEU  89  -4.280   6.642  -5.900
  494    H    LEU  90           H        LEU  90  -4.598  10.171  -3.924
  495    HA   LEU  90           HA       LEU  90  -4.766  13.015  -4.156
  496    HB2  LEU  90           HB2      LEU  90  -4.634  10.976  -1.934
  497    HB3  LEU  90           HB3      LEU  90  -4.432  12.667  -1.516
  498    HG   LEU  90           HG       LEU  90  -6.805  11.754  -3.184
  499   HD11  LEU  90          HD11      LEU  90  -6.614  11.968  -0.152
  500   HD12  LEU  90          HD12      LEU  90  -6.889  10.485  -1.109
  501   HD13  LEU  90          HD13      LEU  90  -8.115  11.755  -1.082
  502   HD21  LEU  90          HD21      LEU  90  -6.290  14.170  -1.385
  503   HD22  LEU  90          HD22      LEU  90  -7.803  13.824  -2.244
  504   HD23  LEU  90          HD23      LEU  90  -6.337  14.190  -3.159
  505    H    GLY  91           H        GLY  91  -1.990  10.944  -3.489
  506    HA2  GLY  91           HA2      GLY  91  -0.068  13.097  -3.806
  507    HA3  GLY  91           HA3      GLY  91  -0.259  12.603  -2.120
  508    H    LYS  92           H        LYS  92   2.165  12.160  -2.768
  509    HA   LYS  92           HA       LYS  92   2.875   9.784  -4.176
  510    HB2  LYS  92           HB2      LYS  92   4.193  11.373  -1.948
  511    HB3  LYS  92           HB3      LYS  92   4.846   9.864  -2.520
  512    HG2  LYS  92           HG2      LYS  92   6.026  11.396  -3.763
  513    HG3  LYS  92           HG3      LYS  92   4.805  10.848  -4.901
  514    HD2  LYS  92           HD2      LYS  92   3.498  12.901  -4.526
  515    HD3  LYS  92           HD3      LYS  92   4.624  13.389  -3.229
  516    HE2  LYS  92           HE2      LYS  92   6.468  13.457  -4.851
  517    HE3  LYS  92           HE3      LYS  92   5.349  13.039  -6.159
  518    HZ1  LYS  92           HZ1      LYS  92   4.125  15.108  -5.663
  519    HZ2  LYS  92           HZ2      LYS  92   5.700  15.454  -6.002
  520    HZ3  LYS  92           HZ3      LYS  92   5.136  15.485  -4.458
  521    H    MET  93           H        MET  93   3.167   7.681  -3.571
  522    HA   MET  93           HA       MET  93   1.664   6.528  -1.417
  523    HB2  MET  93           HB2      MET  93   2.496   5.349  -3.477
  524    HB3  MET  93           HB3      MET  93   4.117   5.324  -2.780
  525    HG2  MET  93           HG2      MET  93   1.723   4.243  -1.257
  526    HG3  MET  93           HG3      MET  93   2.464   3.279  -2.520
  527    HE1  MET  93           HE1      MET  93   5.385   3.097  -2.450
  528    HE2  MET  93           HE2      MET  93   4.335   1.687  -2.250
  529    HE3  MET  93           HE3      MET  93   5.702   1.918  -1.158
  530    H    TYR  94           H        TYR  94   1.994   6.753   0.692
  531    HA   TYR  94           HA       TYR  94   4.649   7.621   1.737
  532    HB2  TYR  94           HB2      TYR  94   3.071   8.973   2.714
  533    HB3  TYR  94           HB3      TYR  94   1.797   7.780   2.642
  534    HD1  TYR  94           HD1      TYR  94   4.873   8.724   4.537
  535    HD2  TYR  94           HD2      TYR  94   1.305   6.309   4.448
  536    HE1  TYR  94           HE1      TYR  94   5.207   8.125   6.920
  537    HE2  TYR  94           HE2      TYR  94   1.617   5.746   6.852
  538    HH   TYR  94           HH       TYR  94   4.476   6.869   8.668
  539    H    LYS  95           H        LYS  95   2.124   5.132   2.411
  540    HA   LYS  95           HA       LYS  95   4.178   3.064   2.618
  541    HB2  LYS  95           HB2      LYS  95   4.203   4.127   4.859
  542    HB3  LYS  95           HB3      LYS  95   2.484   3.776   5.059
  543    HG2  LYS  95           HG2      LYS  95   2.850   1.491   5.386
  544    HG3  LYS  95           HG3      LYS  95   4.339   1.480   4.448
  545    HD2  LYS  95           HD2      LYS  95   4.799   1.130   6.816
  546    HD3  LYS  95           HD3      LYS  95   5.581   2.573   6.180
  547    HE2  LYS  95           HE2      LYS  95   3.632   3.914   7.180
  548    HE3  LYS  95           HE3      LYS  95   3.148   2.407   7.984
  549    HZ1  LYS  95           HZ1      LYS  95   5.314   2.366   9.087
  550    HZ2  LYS  95           HZ2      LYS  95   4.589   3.799   9.402
  551    HZ3  LYS  95           HZ3      LYS  95   5.770   3.734   8.287
  552    H    THR  96           H        THR  96   3.404   1.052   2.260
  553    HA   THR  96           HA       THR  96   0.439   0.672   1.885
  554    HB   THR  96           HB       THR  96   2.676  -0.729   0.369
  555    HG1  THR  96           HG1      THR  96   2.297   1.465  -0.051
  556   HG21  THR  96          HG21      THR  96   0.883  -1.550  -1.094
  557   HG22  THR  96          HG22      THR  96  -0.342  -0.768  -0.083
  558   HG23  THR  96          HG23      THR  96   0.600  -2.126   0.540
  559    H    TYR  97           H        TYR  97  -0.386  -1.199   2.621
  560    HA   TYR  97           HA       TYR  97   1.310  -2.969   4.343
  561    HB2  TYR  97           HB2      TYR  97  -1.507  -2.211   5.168
  562    HB3  TYR  97           HB3      TYR  97  -0.284  -3.008   6.050
  563    HD1  TYR  97           HD1      TYR  97  -0.873   0.363   4.414
  564    HD2  TYR  97           HD2      TYR  97   0.817  -1.864   7.691
  565    HE1  TYR  97           HE1      TYR  97  -0.170   2.472   5.506
  566    HE2  TYR  97           HE2      TYR  97   1.373   0.241   8.837
  567    HH   TYR  97           HH       TYR  97   1.257   2.535   8.796
  568    H    PHE  98           H        PHE  98   0.718  -5.085   4.487
  569    HA   PHE  98           HA       PHE  98  -1.283  -6.126   2.503
  570    HB2  PHE  98           HB2      PHE  98   1.607  -6.930   2.969
  571    HB3  PHE  98           HB3      PHE  98   0.495  -7.774   1.916
  572    HD1  PHE  98           HD1      PHE  98   2.477  -4.628   2.307
  573    HD2  PHE  98           HD2      PHE  98  -0.043  -6.985  -0.259
  574    HE1  PHE  98           HE1      PHE  98   3.136  -3.226   0.362
  575    HE2  PHE  98           HE2      PHE  98   0.641  -5.597  -2.209
  576    HZ   PHE  98           HZ       PHE  98   2.260  -3.746  -1.899
  577    H    PHE  99           H        PHE  99  -2.328  -7.996   2.965
  578    HA   PHE  99           HA       PHE  99  -2.077  -9.074   5.749
  579    HB2  PHE  99           HB2      PHE  99  -4.616  -8.518   4.165
  580    HB3  PHE  99           HB3      PHE  99  -4.505  -9.031   5.842
  581    HD1  PHE  99           HD1      PHE  99  -3.799  -6.218   3.486
  582    HD2  PHE  99           HD2      PHE  99  -4.309  -7.368   7.605
  583    HE1  PHE  99           HE1      PHE  99  -3.536  -3.883   4.159
  584    HE2  PHE  99           HE2      PHE  99  -4.154  -4.983   8.266
  585    HZ   PHE  99           HZ       PHE  99  -3.644  -3.246   6.578
  586    H    LYS 100           H        LYS 100  -2.143 -11.262   5.989
  587    HA   LYS 100           HA       LYS 100  -2.159 -12.964   3.587
  588    HB2  LYS 100           HB2      LYS 100  -1.872 -13.744   6.482
  589    HB3  LYS 100           HB3      LYS 100  -1.680 -14.810   5.074
  590    HG2  LYS 100           HG2      LYS 100   0.384 -14.256   4.718
  591    HG3  LYS 100           HG3      LYS 100   0.095 -12.536   4.754
  592    HD2  LYS 100           HD2      LYS 100   0.354 -12.502   7.204
  593    HD3  LYS 100           HD3      LYS 100   0.393 -14.270   7.260
  594    HE2  LYS 100           HE2      LYS 100   2.468 -14.252   5.859
  595    HE3  LYS 100           HE3      LYS 100   2.481 -12.491   5.930
  596    HZ1  LYS 100           HZ1      LYS 100   2.662 -14.270   8.320
  597    HZ2  LYS 100           HZ2      LYS 100   2.860 -12.625   8.310
  598    HZ3  LYS 100           HZ3      LYS 100   3.931 -13.618   7.563
  599    H    LYS 101           H        LYS 101  -3.423 -14.904   3.397
  600    HA   LYS 101           HA       LYS 101  -6.148 -14.573   3.165
  601    HB2  LYS 101           HB2      LYS 101  -4.864 -16.344   2.079
  602    HB3  LYS 101           HB3      LYS 101  -4.583 -17.124   3.629
  603    HG2  LYS 101           HG2      LYS 101  -6.267 -18.380   2.540
  604    HG3  LYS 101           HG3      LYS 101  -7.046 -17.537   3.855
  605    HD2  LYS 101           HD2      LYS 101  -8.533 -17.462   2.029
  606    HD3  LYS 101           HD3      LYS 101  -7.877 -15.835   2.159
  607    HE2  LYS 101           HE2      LYS 101  -6.369 -16.242   0.268
  608    HE3  LYS 101           HE3      LYS 101  -6.810 -17.957   0.238
  609    HZ1  LYS 101           HZ1      LYS 101  -9.057 -17.337  -0.408
  610    HZ2  LYS 101           HZ2      LYS 101  -8.015 -16.669  -1.467
  611    HZ3  LYS 101           HZ3      LYS 101  -8.706 -15.739  -0.289
  612    H    GLY 102           H        GLY 102  -7.580 -13.957   4.655
  613    HA2  GLY 102           HA2      GLY 102  -9.104 -14.334   6.369
  614    HA3  GLY 102           HA3      GLY 102  -8.156 -15.701   6.951
  615    H    GLU 103           H        GLU 103  -6.579 -12.554   6.589
  616    HA   GLU 103           HA       GLU 103  -6.618 -12.196   9.572
  617    HB2  GLU 103           HB2      GLU 103  -4.360 -11.686   7.601
  618    HB3  GLU 103           HB3      GLU 103  -4.333 -11.332   9.326
  619    HG2  GLU 103           HG2      GLU 103  -4.782 -13.776   9.790
  620    HG3  GLU 103           HG3      GLU 103  -4.607 -14.094   8.060
  621    H    SER 104           H        SER 104  -5.926  -9.926  10.244
  622    HA   SER 104           HA       SER 104  -7.372  -7.823   8.675
  623    HB2  SER 104           HB2      SER 104  -8.529  -7.265  10.867
  624    HB3  SER 104           HB3      SER 104  -9.052  -8.713  10.023
  625    HG   SER 104           HG       SER 104  -7.453  -8.456  12.368
  626    H    LYS 105           H        LYS 105  -4.628  -8.488  10.527
  627    HA   LYS 105           HA       LYS 105  -3.920  -5.589  10.413
  628    HB2  LYS 105           HB2      LYS 105  -4.343  -6.216  12.745
  629    HB3  LYS 105           HB3      LYS 105  -3.169  -7.542  12.622
  630    HG2  LYS 105           HG2      LYS 105  -1.375  -6.024  12.385
  631    HG3  LYS 105           HG3      LYS 105  -2.388  -4.636  12.154
  632    HD2  LYS 105           HD2      LYS 105  -1.624  -4.451  14.383
  633    HD3  LYS 105           HD3      LYS 105  -3.282  -5.018  14.540
  634    HE2  LYS 105           HE2      LYS 105  -2.477  -7.330  14.858
  635    HE3  LYS 105           HE3      LYS 105  -0.805  -6.781  14.603
  636    HZ1  LYS 105           HZ1      LYS 105  -1.176  -6.922  16.966
  637    HZ2  LYS 105           HZ2      LYS 105  -2.569  -6.074  16.885
  638    HZ3  LYS 105           HZ3      LYS 105  -1.129  -5.327  16.592
  639    H    SER 106           H        SER 106  -1.987  -5.188   9.448
  640    HA   SER 106           HA       SER 106  -1.268  -7.097   7.494
  641    HB2  SER 106           HB2      SER 106   0.281  -5.534   6.635
  642    HB3  SER 106           HB3      SER 106  -1.050  -4.605   7.327
  643    HG   SER 106           HG       SER 106   1.596  -4.997   8.381
  644    H    SER 107           H        SER 107   0.875  -7.890   6.922
  645    HA   SER 107           HA       SER 107   2.778  -8.287   9.204
  646    HB2  SER 107           HB2      SER 107   1.308 -10.320   8.752
  647    HB3  SER 107           HB3      SER 107   2.087 -10.442   7.176
  648    HG   SER 107           HG       SER 107   3.526 -10.378   9.641
  649    H    TYR 108           H        TYR 108   2.330  -7.251   6.049
  650    HA   TYR 108           HA       TYR 108   5.232  -6.940   5.683
  651    HB2  TYR 108           HB2      TYR 108   4.721  -8.901   4.373
  652    HB3  TYR 108           HB3      TYR 108   3.342  -8.124   3.632
  653    HD1  TYR 108           HD1      TYR 108   7.052  -7.696   3.994
  654    HD2  TYR 108           HD2      TYR 108   3.615  -7.292   1.455
  655    HE1  TYR 108           HE1      TYR 108   8.554  -7.164   2.050
  656    HE2  TYR 108           HE2      TYR 108   5.097  -6.811  -0.474
  657    HH   TYR 108           HH       TYR 108   7.311  -6.700  -1.256
  658    H    VAL 109           H        VAL 109   5.756  -5.053   4.898
  659    HA   VAL 109           HA       VAL 109   3.769  -3.092   3.936
  660    HB   VAL 109           HB       VAL 109   5.078  -1.493   5.669
  661   HG11  VAL 109          HG11      VAL 109   3.322  -1.775   7.327
  662   HG12  VAL 109          HG12      VAL 109   2.760  -3.247   6.494
  663   HG13  VAL 109          HG13      VAL 109   2.695  -1.658   5.678
  664   HG21  VAL 109          HG21      VAL 109   4.869  -4.049   7.267
  665   HG22  VAL 109          HG22      VAL 109   5.585  -2.488   7.735
  666   HG23  VAL 109          HG23      VAL 109   6.370  -3.500   6.506
  667    H    ILE 110           H        ILE 110   4.690  -1.203   3.042
  668    HA   ILE 110           HA       ILE 110   7.586  -1.297   2.294
  669    HB   ILE 110           HB       ILE 110   5.307  -1.148   0.335
  670   HG12  ILE 110          HG12      ILE 110   6.856  -3.624   1.140
  671   HG13  ILE 110          HG13      ILE 110   5.126  -3.381   1.143
  672   HG21  ILE 110          HG21      ILE 110   8.261  -1.720  -0.217
  673   HG22  ILE 110          HG22      ILE 110   7.517  -0.115  -0.370
  674   HG23  ILE 110          HG23      ILE 110   6.979  -1.398  -1.409
  675   HD11  ILE 110          HD11      ILE 110   5.430  -4.709  -0.700
  676   HD12  ILE 110          HD12      ILE 110   6.958  -3.943  -1.138
  677   HD13  ILE 110          HD13      ILE 110   5.383  -3.115  -1.438
  678    H    ASN 111           H        ASN 111   8.394   0.706   1.689
  679    HA   ASN 111           HA       ASN 111   6.729   3.052   2.472
  680    HB2  ASN 111           HB2      ASN 111   9.756   2.758   2.185
  681    HB3  ASN 111           HB3      ASN 111   8.892   4.076   2.975
  682   HD21  ASN 111          HD21      ASN 111   7.582   3.417   4.969
  683   HD22  ASN 111          HD22      ASN 111   8.266   2.121   5.957
  684    H    GLY 112           H        GLY 112   6.905   5.027   1.188
  685    HA2  GLY 112           HA2      GLY 112   7.939   4.682  -1.609
  686    HA3  GLY 112           HA3      GLY 112   6.307   5.252  -1.310
  687    HA   PRO 113           HA       PRO 113   9.407   8.740  -1.588
  688    HB2  PRO 113           HB2      PRO 113   8.602   9.994  -3.858
  689    HB3  PRO 113           HB3      PRO 113   9.486   8.451  -3.892
  690    HG2  PRO 113           HG2      PRO 113   6.480   8.854  -4.079
  691    HG3  PRO 113           HG3      PRO 113   7.540   7.910  -5.174
  692    HD2  PRO 113           HD2      PRO 113   6.157   6.770  -3.097
  693    HD3  PRO 113           HD3      PRO 113   7.759   6.171  -3.619
  694    H    GLY 114           H        GLY 114   6.857   8.566  -0.030
  695    HA2  GLY 114           HA2      GLY 114   6.426  11.460   0.369
  696    HA3  GLY 114           HA3      GLY 114   5.067  10.329   0.455
  697    H    LYS 115           H        LYS 115   5.921  11.983   2.504
  698    HA   LYS 115           HA       LYS 115   7.439  10.315   4.511
  699    HB2  LYS 115           HB2      LYS 115   8.659  12.128   3.319
  700    HB3  LYS 115           HB3      LYS 115   7.464  13.261   3.904
  701    HG2  LYS 115           HG2      LYS 115   9.372  13.607   5.179
  702    HG3  LYS 115           HG3      LYS 115   8.228  12.825   6.255
  703    HD2  LYS 115           HD2      LYS 115   9.456  10.661   5.957
  704    HD3  LYS 115           HD3      LYS 115  10.579  11.476   4.835
  705    HE2  LYS 115           HE2      LYS 115  11.155  13.111   6.629
  706    HE3  LYS 115           HE3      LYS 115  10.072  12.267   7.740
  707    HZ1  LYS 115           HZ1      LYS 115  12.560  11.126   6.559
  708    HZ2  LYS 115           HZ2      LYS 115  12.301  11.597   8.116
  709    HZ3  LYS 115           HZ3      LYS 115  11.518  10.302   7.544
  710    H    THR 116           H        THR 116   4.497  12.162   4.090
  711    HA   THR 116           HA       THR 116   3.635  11.555   6.820
  712    HB   THR 116           HB       THR 116   4.819  13.670   7.213
  713    HG1  THR 116           HG1      THR 116   3.000  14.918   7.899
  714   HG21  THR 116          HG21      THR 116   2.914  14.985   5.232
  715   HG22  THR 116          HG22      THR 116   4.632  14.645   4.905
  716   HG23  THR 116          HG23      THR 116   4.183  15.761   6.195
  717    H    ASN 117           H        ASN 117   1.362  11.452   6.932
  718    HA   ASN 117           HA       ASN 117  -0.114  11.521   4.430
  719    HB2  ASN 117           HB2      ASN 117  -1.089  11.280   7.302
  720    HB3  ASN 117           HB3      ASN 117  -2.008  10.955   5.829
  721   HD21  ASN 117          HD21      ASN 117  -0.736   9.371   4.233
  722   HD22  ASN 117          HD22      ASN 117   0.074   8.038   5.072
  723    H    GLU 118           H        GLU 118   0.474  13.804   7.034
  724    HA   GLU 118           HA       GLU 118  -1.722  15.607   6.433
  725    HB2  GLU 118           HB2      GLU 118   0.707  15.849   8.236
  726    HB3  GLU 118           HB3      GLU 118  -0.609  17.036   8.129
  727    HG2  GLU 118           HG2      GLU 118  -2.232  15.322   8.793
  728    HG3  GLU 118           HG3      GLU 118  -0.940  14.125   8.931
  729    H    TYR 119           H        TYR 119  -1.296  15.842   4.147
  730    HA   TYR 119           HA       TYR 119  -0.594  16.955   2.350
  731    HB2  TYR 119           HB2      TYR 119  -0.947  19.172   4.342
  732    HB3  TYR 119           HB3      TYR 119  -0.763  19.444   2.612
  733    HD1  TYR 119           HD1      TYR 119  -2.354  18.444   0.965
  734    HD2  TYR 119           HD2      TYR 119  -3.097  18.367   5.214
  735    HE1  TYR 119           HE1      TYR 119  -4.719  17.829   0.538
  736    HE2  TYR 119           HE2      TYR 119  -5.488  17.780   4.773
  737    HH   TYR 119           HH       TYR 119  -6.753  17.357   1.451
  738    H    ALA 120           H        ALA 120   1.472  15.678   2.941
  739    HA   ALA 120           HA       ALA 120   3.673  15.405   2.754
  740    HB1  ALA 120           HB1      ALA 120   4.449  16.214   0.584
  741    HB2  ALA 120           HB2      ALA 120   3.250  17.517   0.617
  742    HB3  ALA 120           HB3      ALA 120   2.722  15.828   0.475
  743    H    TYR 121           H        TYR 121   3.191  17.703   4.660
  744    HA   TYR 121           HA       TYR 121   5.984  18.132   5.203
  745    HB2  TYR 121           HB2      TYR 121   5.607  19.855   3.391
  746    HB3  TYR 121           HB3      TYR 121   4.472  20.658   4.450
  747    HD1  TYR 121           HD1      TYR 121   7.982  19.232   4.617
  748    HD2  TYR 121           HD2      TYR 121   5.348  22.510   5.560
  749    HE1  TYR 121           HE1      TYR 121   9.882  20.455   5.677
  750    HE2  TYR 121           HE2      TYR 121   7.237  23.734   6.598
  751    HH   TYR 121           HH       TYR 121   9.440  23.725   7.076
  752    H1   ACE   6           H1       ACE   6  24.428  -3.211  -5.062
  753    H2   ACE   6           H2       ACE   6  23.520  -1.682  -5.029
  754    H3   ACE   6           H3       ACE   6  24.591  -2.110  -3.682
  755    H    THR   7           H        THR   7  21.133  -4.316  -3.845
  756    HA   THR   7           HA       THR   7  22.199  -3.172  -6.366
  757    HB   THR   7           HB       THR   7  23.538  -5.188  -5.887
  758    HG1  THR   7           HG1      THR   7  23.366  -6.110  -7.791
  759   HG21  THR   7          HG21      THR   7  20.898  -6.699  -5.945
  760   HG22  THR   7          HG22      THR   7  22.508  -7.444  -6.046
  761   HG23  THR   7          HG23      THR   7  22.041  -6.565  -4.595
  762    H    THR   8           H        THR   8  19.684  -3.001  -4.768
  763    HA   THR   8           HA       THR   8  17.857  -3.053  -7.009
  764    HB   THR   8           HB       THR   8  17.955  -5.456  -6.117
  765    HG1  THR   8           HG1      THR   8  15.802  -5.794  -6.387
  766   HG21  THR   8          HG21      THR   8  16.663  -6.109  -4.297
  767   HG22  THR   8          HG22      THR   8  17.677  -4.792  -3.680
  768   HG23  THR   8          HG23      THR   8  15.966  -4.497  -4.087
  769    HA   PRO   9           HA       PRO   9  15.661   0.181  -4.618
  770    HB2  PRO   9           HB2      PRO   9  13.279  -1.423  -5.540
  771    HB3  PRO   9           HB3      PRO   9  13.453   0.364  -5.486
  772    HG2  PRO   9           HG2      PRO   9  13.782  -0.927  -7.823
  773    HG3  PRO   9           HG3      PRO   9  14.993   0.311  -7.341
  774    HD2  PRO   9           HD2      PRO   9  15.189  -2.694  -7.121
  775    HD3  PRO   9           HD3      PRO   9  16.421  -1.520  -7.657
  776    H    ASP  10           H        ASP  10  13.804   0.385  -2.928
  777    HA   ASP  10           HA       ASP  10  14.396  -1.484  -0.810
  778    HB2  ASP  10           HB2      ASP  10  14.119   1.096  -0.714
  779    HB3  ASP  10           HB3      ASP  10  12.395   0.800  -0.642
  780    H2   TYS  11           H2       TYS  11  13.500  -3.288  -2.007
  781    HA   TYS  11           HA       TYS  11  10.695  -3.780  -2.316
  782    HB2  TYS  11           HB2      TYS  11  13.210  -5.387  -2.855
  783    HB3  TYS  11           HB3      TYS  11  11.631  -6.147  -2.867
  784    HD1  TYS  11           HD1      TYS  11   9.691  -4.806  -4.007
  785    HD2  TYS  11           HD2      TYS  11  13.856  -4.483  -5.055
  786    HE1  TYS  11           HE1      TYS  11   9.097  -3.775  -6.062
  787    HE2  TYS  11           HE2      TYS  11  13.202  -3.445  -7.181
  788    H    GLY  12           H        GLY  12  10.463  -3.155  -0.477
  789    HA2  GLY  12           HA2      GLY  12   9.031  -3.293   1.261
  790    HA3  GLY  12           HA3      GLY  12   8.719  -4.918   0.703
  791    H    HIS  13           H        HIS  13   8.345  -4.459   3.411
  792    HA   HIS  13           HA       HIS  13  10.380  -6.274   4.505
  793    HB2  HIS  13           HB2      HIS  13  10.692  -5.001   6.506
  794    HB3  HIS  13           HB3      HIS  13  11.353  -4.150   5.112
  795    HD1  HIS  13           HD1      HIS  13   9.962  -1.976   4.225
  796    HD2  HIS  13           HD2      HIS  13   8.583  -3.760   7.813
  797    HE1  HIS  13           HE1      HIS  13   8.072  -0.447   5.155
  798    HE2  HIS  13           HE2      HIS  13   7.507  -1.364   7.499
  799    H2   TYS  14           H2       TYS  14   9.719  -7.594   6.102
  800    HA   TYS  14           HA       TYS  14   6.846  -7.518   6.820
  801    HB2  TYS  14           HB2      TYS  14   9.035  -9.603   7.137
  802    HB3  TYS  14           HB3      TYS  14   7.493  -9.757   7.934
  803    HD1  TYS  14           HD1      TYS  14   8.932  -9.434   4.394
  804    HD2  TYS  14           HD2      TYS  14   5.636 -10.742   6.896
  805    HE1  TYS  14           HE1      TYS  14   8.200 -10.911   2.674
  806    HE2  TYS  14           HE2      TYS  14   4.867 -12.166   5.082
  807    H    ASP  15           H        ASP  15   5.985  -7.234   8.709
  808    HA   ASP  15           HA       ASP  15   7.792  -5.724  10.536
  809    HB2  ASP  15           HB2      ASP  15   6.249  -4.114  10.638
  810    HB3  ASP  15           HB3      ASP  15   6.070  -4.653   9.006
  811    H    ASP  16           H        ASP  16   6.803  -5.191  12.710
  812    HA   ASP  16           HA       ASP  16   5.253  -7.403  13.954
  813    HB2  ASP  16           HB2      ASP  16   7.742  -6.097  15.140
  814    HB3  ASP  16           HB3      ASP  16   6.619  -7.087  16.063
  815    H    LYS  17           H        LYS  17   6.082  -4.005  13.790
  816    HA   LYS  17           HA       LYS  17   3.566  -3.307  15.175
  817    HB2  LYS  17           HB2      LYS  17   4.573  -1.777  16.718
  818    HB3  LYS  17           HB3      LYS  17   5.215  -3.385  16.937
  819    HG2  LYS  17           HG2      LYS  17   7.076  -2.095  17.242
  820    HG3  LYS  17           HG3      LYS  17   7.273  -2.657  15.595
  821    HD2  LYS  17           HD2      LYS  17   7.934  -0.326  15.848
  822    HD3  LYS  17           HD3      LYS  17   6.553  -0.426  14.753
  823    HE2  LYS  17           HE2      LYS  17   5.029   0.323  16.495
  824    HE3  LYS  17           HE3      LYS  17   6.302   0.200  17.722
  825    HZ1  LYS  17           HZ1      LYS  17   6.349   2.069  15.424
  826    HZ2  LYS  17           HZ2      LYS  17   7.496   1.972  16.621
  827    HZ3  LYS  17           HZ3      LYS  17   5.969   2.487  16.957
  828    H    ASP  18           H        ASP  18   5.641  -2.706  12.596
  829    HA   ASP  18           HA       ASP  18   4.972   0.043  12.065
  830    HB2  ASP  18           HB2      ASP  18   6.825  -1.472  11.022
  831    HB3  ASP  18           HB3      ASP  18   5.541  -2.090   9.990
  832    H    THR  19           H        THR  19   3.224  -2.937  11.739
  833    HA   THR  19           HA       THR  19   1.523  -2.722   9.733
  834    HB   THR  19           HB       THR  19   1.582  -4.681  11.201
  835    HG1  THR  19           HG1      THR  19  -0.024  -4.587   9.965
  836   HG21  THR  19          HG21      THR  19   0.018  -3.117  13.250
  837   HG22  THR  19          HG22      THR  19   1.736  -3.574  13.400
  838   HG23  THR  19          HG23      THR  19   0.516  -4.836  13.294
  839    H    LEU  20           H        LEU  20  -0.673  -2.393   9.325
  840    HA   LEU  20           HA       LEU  20  -2.161  -0.345  10.870
  841    HB2  LEU  20           HB2      LEU  20  -1.870   0.384   8.501
  842    HB3  LEU  20           HB3      LEU  20  -2.379  -1.230   7.960
  843    HG   LEU  20           HG       LEU  20  -4.629  -0.815   8.900
  844   HD11  LEU  20          HD11      LEU  20  -4.136   0.847  10.650
  845   HD12  LEU  20          HD12      LEU  20  -5.267   1.517   9.476
  846   HD13  LEU  20          HD13      LEU  20  -3.560   1.999   9.416
  847   HD21  LEU  20          HD21      LEU  20  -5.266   0.802   7.135
  848   HD22  LEU  20          HD22      LEU  20  -4.095  -0.408   6.597
  849   HD23  LEU  20          HD23      LEU  20  -3.551   1.246   6.930
  850    H    ASP  21           H        ASP  21  -3.752  -1.249  11.985
  851    HA   ASP  21           HA       ASP  21  -4.945  -3.857  11.338
  852    HB2  ASP  21           HB2      ASP  21  -6.453  -2.927  13.357
  853    HB3  ASP  21           HB3      ASP  21  -5.080  -3.946  13.527
  854    H    LEU  22           H        LEU  22  -6.702  -4.045  10.308
  855    HA   LEU  22           HA       LEU  22  -8.131  -1.653   9.200
  856    HB2  LEU  22           HB2      LEU  22  -7.595  -4.493   8.469
  857    HB3  LEU  22           HB3      LEU  22  -9.226  -3.949   8.068
  858    HG   LEU  22           HG       LEU  22  -8.401  -2.305   6.564
  859   HD11  LEU  22          HD11      LEU  22  -5.950  -2.024   6.194
  860   HD12  LEU  22          HD12      LEU  22  -5.654  -2.910   7.717
  861   HD13  LEU  22          HD13      LEU  22  -6.516  -1.352   7.728
  862   HD21  LEU  22          HD21      LEU  22  -6.608  -4.768   6.373
  863   HD22  LEU  22          HD22      LEU  22  -7.090  -3.716   5.031
  864   HD23  LEU  22          HD23      LEU  22  -8.312  -4.713   5.879
  865    H    ASN  23           H        ASN  23  -8.594  -4.241  11.453
  866    HA   ASN  23           HA       ASN  23 -10.961  -3.597  12.712
  867    HB2  ASN  23           HB2      ASN  23 -12.588  -5.057  11.712
  868    HB3  ASN  23           HB3      ASN  23 -12.036  -4.046  10.413
  869   HD21  ASN  23          HD21      ASN  23  -9.728  -5.265   9.545
  870   HD22  ASN  23          HD22      ASN  23 -10.216  -6.776   8.805
  871    H    THR  24           H        THR  24 -11.837  -6.050  13.390
  872    HA   THR  24           HA       THR  24  -9.764  -8.098  13.446
  873    HB   THR  24           HB       THR  24  -9.103  -6.890  15.422
  874    HG1  THR  24           HG1      THR  24  -9.234  -8.437  16.879
  875   HG21  THR  24          HG21      THR  24 -11.974  -7.148  16.382
  876   HG22  THR  24          HG22      THR  24 -10.596  -6.613  17.367
  877   HG23  THR  24          HG23      THR  24 -11.112  -5.645  15.975
  878    HA   PRO  25           HA       PRO  25 -13.631 -10.332  12.970
  879    HB2  PRO  25           HB2      PRO  25 -12.957 -12.901  13.555
  880    HB3  PRO  25           HB3      PRO  25 -12.306 -12.046  12.126
  881    HG2  PRO  25           HG2      PRO  25 -11.019 -12.295  14.873
  882    HG3  PRO  25           HG3      PRO  25 -10.344 -12.789  13.294
  883    HD2  PRO  25           HD2      PRO  25  -9.745 -10.366  14.324
  884    HD3  PRO  25           HD3      PRO  25 -10.148 -10.493  12.588
  885    H    VAL  26           H        VAL  26 -14.953 -11.969  14.108
  886    HA   VAL  26           HA       VAL  26 -16.173 -11.417  16.437
  887    HB   VAL  26           HB       VAL  26 -16.438 -13.305  14.689
  888   HG11  VAL  26          HG11      VAL  26 -14.386 -14.583  15.231
  889   HG12  VAL  26          HG12      VAL  26 -15.871 -15.542  15.294
  890   HG13  VAL  26          HG13      VAL  26 -15.102 -15.017  16.800
  891   HG21  VAL  26          HG21      VAL  26 -17.200 -13.798  17.592
  892   HG22  VAL  26          HG22      VAL  26 -17.964 -14.541  16.169
  893   HG23  VAL  26          HG23      VAL  26 -18.089 -12.799  16.434
  894    H    ASP  27           H        ASP  27 -15.973 -11.597  18.645
  895    HA   ASP  27           HA       ASP  27 -13.250 -12.129  19.690
  896    HB2  ASP  27           HB2      ASP  27 -15.752 -11.125  21.097
  897    HB3  ASP  27           HB3      ASP  27 -14.150 -11.257  21.812
  898    H    LYS  28           H        LYS  28 -16.115 -13.846  19.262
  899    HA   LYS  28           HA       LYS  28 -15.368 -16.129  21.003
  900    HB2  LYS  28           HB2      LYS  28 -16.689 -14.633  22.437
  901    HB3  LYS  28           HB3      LYS  28 -17.945 -14.506  21.201
  902    HG2  LYS  28           HG2      LYS  28 -18.436 -16.927  21.444
  903    HG3  LYS  28           HG3      LYS  28 -17.178 -17.058  22.688
  904    HD2  LYS  28           HD2      LYS  28 -18.415 -15.554  24.163
  905    HD3  LYS  28           HD3      LYS  28 -19.572 -15.175  22.870
  906    HE2  LYS  28           HE2      LYS  28 -20.127 -17.645  22.772
  907    HE3  LYS  28           HE3      LYS  28 -19.174 -17.868  24.244
  908    HZ1  LYS  28           HZ1      LYS  28 -21.530 -16.058  24.003
  909    HZ2  LYS  28           HZ2      LYS  28 -21.559 -17.562  24.658
  910    HZ3  LYS  28           HZ3      LYS  28 -20.703 -16.365  25.385
  911    HN1  NH2  29           HN1      NH2  29 -16.660 -18.099  18.404
  912    HN2  NH2  29           HN2      NH2  29 -15.460 -17.871  19.654
  Start of MODEL   20
    1    H1   ASN  31           H1       ASN  31   3.681  11.957 -24.931
    2    H2   ASN  31           H2       ASN  31   4.375  11.125 -26.156
    3    H3   ASN  31           H3       ASN  31   5.186  12.385 -25.474
    4    HA   ASN  31           HA       ASN  31   4.513   9.802 -24.238
    5    HB2  ASN  31           HB2      ASN  31   7.242  11.052 -24.837
    6    HB3  ASN  31           HB3      ASN  31   6.980   9.555 -23.950
    7   HD21  ASN  31          HD21      ASN  31   8.628   9.350 -26.113
    8   HD22  ASN  31          HD22      ASN  31   7.775   8.439 -27.342
    9    H    SER  32           H        SER  32   4.285   9.754 -22.077
   10    HA   SER  32           HA       SER  32   6.095  11.124 -20.354
   11    HB2  SER  32           HB2      SER  32   4.663  13.091 -20.663
   12    HB3  SER  32           HB3      SER  32   3.229  12.146 -20.236
   13    HG   SER  32           HG       SER  32   5.502  12.656 -18.580
   14    H    GLY  33           H        GLY  33   2.693   9.860 -20.112
   15    HA2  GLY  33           HA2      GLY  33   1.807   8.149 -18.905
   16    HA3  GLY  33           HA3      GLY  33   3.388   7.377 -18.981
   17    H    LEU  34           H        LEU  34   3.362  10.401 -17.260
   18    HA   LEU  34           HA       LEU  34   4.283   9.320 -14.843
   19    HB2  LEU  34           HB2      LEU  34   2.947  11.947 -15.548
   20    HB3  LEU  34           HB3      LEU  34   3.483  11.616 -13.907
   21    HG   LEU  34           HG       LEU  34   5.374  11.476 -16.291
   22   HD11  LEU  34          HD11      LEU  34   6.146  13.716 -15.587
   23   HD12  LEU  34          HD12      LEU  34   4.855  13.786 -14.366
   24   HD13  LEU  34          HD13      LEU  34   4.452  13.757 -16.097
   25   HD21  LEU  34          HD21      LEU  34   5.853  11.742 -13.282
   26   HD22  LEU  34          HD22      LEU  34   7.106  11.756 -14.542
   27   HD23  LEU  34          HD23      LEU  34   6.163  10.293 -14.264
   28    HA   PRO  35           HA       PRO  35   0.389   7.601 -13.510
   29    HB2  PRO  35           HB2      PRO  35   1.119   6.262 -11.269
   30    HB3  PRO  35           HB3      PRO  35   1.684   5.761 -12.893
   31    HG2  PRO  35           HG2      PRO  35   3.190   7.467 -10.888
   32    HG3  PRO  35           HG3      PRO  35   3.783   6.033 -11.786
   33    HD2  PRO  35           HD2      PRO  35   4.253   8.587 -12.643
   34    HD3  PRO  35           HD3      PRO  35   3.967   7.254 -13.799
   35    H    THR  36           H        THR  36  -1.239   7.878 -12.061
   36    HA   THR  36           HA       THR  36  -0.947   9.081  -9.436
   37    HB   THR  36           HB       THR  36  -0.755  11.093 -10.775
   38    HG1  THR  36           HG1      THR  36  -3.151  10.901  -9.366
   39   HG21  THR  36          HG21      THR  36  -2.633  12.017 -12.036
   40   HG22  THR  36          HG22      THR  36  -3.572  10.533 -11.792
   41   HG23  THR  36          HG23      THR  36  -2.084  10.508 -12.766
   42    H    THR  37           H        THR  37  -2.112   6.665 -10.792
   43    HA   THR  37           HA       THR  37  -4.736   6.749  -9.407
   44    HB   THR  37           HB       THR  37  -5.945   5.650 -11.115
   45    HG1  THR  37           HG1      THR  37  -5.114   4.967 -12.968
   46   HG21  THR  37          HG21      THR  37  -4.456   7.865 -12.584
   47   HG22  THR  37          HG22      THR  37  -5.777   8.137 -11.430
   48   HG23  THR  37          HG23      THR  37  -6.081   7.236 -12.920
   49    H    LEU  38           H        LEU  38  -5.509   4.695  -8.687
   50    HA   LEU  38           HA       LEU  38  -3.547   2.790  -7.908
   51    HB2  LEU  38           HB2      LEU  38  -6.542   2.451  -8.228
   52    HB3  LEU  38           HB3      LEU  38  -5.498   1.239  -7.515
   53    HG   LEU  38           HG       LEU  38  -5.884   4.047  -6.406
   54   HD11  LEU  38          HD11      LEU  38  -7.917   2.544  -6.307
   55   HD12  LEU  38          HD12      LEU  38  -7.281   3.010  -4.731
   56   HD13  LEU  38          HD13      LEU  38  -6.959   1.385  -5.375
   57   HD21  LEU  38          HD21      LEU  38  -4.804   3.093  -4.378
   58   HD22  LEU  38          HD22      LEU  38  -3.697   3.057  -5.753
   59   HD23  LEU  38          HD23      LEU  38  -4.517   1.568  -5.250
   60    H    GLY  39           H        GLY  39  -5.431   2.862 -10.943
   61    HA2  GLY  39           HA2      GLY  39  -4.985   0.341 -11.981
   62    HA3  GLY  39           HA3      GLY  39  -4.963   1.818 -12.949
   63    H    LYS  40           H        LYS  40  -2.456   2.801 -11.589
   64    HA   LYS  40           HA       LYS  40  -0.458   0.977 -12.897
   65    HB2  LYS  40           HB2      LYS  40  -0.217   3.920 -12.164
   66    HB3  LYS  40           HB3      LYS  40   1.039   2.903 -12.900
   67    HG2  LYS  40           HG2      LYS  40  -0.659   2.397 -14.766
   68    HG3  LYS  40           HG3      LYS  40  -1.669   3.666 -14.092
   69    HD2  LYS  40           HD2      LYS  40  -0.458   4.459 -16.003
   70    HD3  LYS  40           HD3      LYS  40   0.081   5.348 -14.575
   71    HE2  LYS  40           HE2      LYS  40   2.163   4.130 -14.496
   72    HE3  LYS  40           HE3      LYS  40   1.549   2.898 -15.603
   73    HZ1  LYS  40           HZ1      LYS  40   2.987   4.311 -16.802
   74    HZ2  LYS  40           HZ2      LYS  40   2.185   5.698 -16.367
   75    HZ3  LYS  40           HZ3      LYS  40   1.466   4.587 -17.338
   76    H    LEU  41           H        LEU  41  -1.008   2.783  -9.839
   77    HA   LEU  41           HA       LEU  41   1.349   1.846  -8.593
   78    HB2  LEU  41           HB2      LEU  41   0.033   3.745  -7.751
   79    HB3  LEU  41           HB3      LEU  41  -1.294   2.655  -7.329
   80    HG   LEU  41           HG       LEU  41   0.192   1.486  -5.708
   81   HD11  LEU  41          HD11      LEU  41   2.425   1.977  -6.644
   82   HD12  LEU  41          HD12      LEU  41   2.298   2.550  -4.982
   83   HD13  LEU  41          HD13      LEU  41   2.182   3.711  -6.323
   84   HD21  LEU  41          HD21      LEU  41   0.058   4.469  -5.249
   85   HD22  LEU  41          HD22      LEU  41   0.228   3.190  -4.012
   86   HD23  LEU  41          HD23      LEU  41  -1.263   3.305  -4.973
   87    H    ASP  42           H        ASP  42  -1.895   0.266  -8.628
   88    HA   ASP  42           HA       ASP  42  -1.239  -1.869  -6.814
   89    HB2  ASP  42           HB2      ASP  42  -3.545  -1.361  -7.354
   90    HB3  ASP  42           HB3      ASP  42  -3.239  -1.549  -9.080
   91    H    GLU  43           H        GLU  43  -0.566  -1.472 -10.247
   92    HA   GLU  43           HA       GLU  43   0.280  -4.234 -10.607
   93    HB2  GLU  43           HB2      GLU  43  -0.556  -2.379 -12.327
   94    HB3  GLU  43           HB3      GLU  43   1.163  -2.011 -12.458
   95    HG2  GLU  43           HG2      GLU  43   1.651  -4.300 -13.140
   96    HG3  GLU  43           HG3      GLU  43   0.008  -4.821 -12.748
   97    H    ARG  44           H        ARG  44   1.895  -1.199  -9.707
   98    HA   ARG  44           HA       ARG  44   4.564  -2.417  -9.612
   99    HB2  ARG  44           HB2      ARG  44   4.027   0.096  -9.889
  100    HB3  ARG  44           HB3      ARG  44   3.762   0.107  -8.144
  101    HG2  ARG  44           HG2      ARG  44   6.028  -0.737  -7.734
  102    HG3  ARG  44           HG3      ARG  44   6.305  -1.000  -9.456
  103    HD2  ARG  44           HD2      ARG  44   5.835   1.730  -8.201
  104    HD3  ARG  44           HD3      ARG  44   7.416   1.011  -8.494
  105    HE   ARG  44           HE       ARG  44   5.466   1.940 -10.555
  106   HH11  ARG  44          HH11      ARG  44   8.763   0.662 -10.029
  107   HH12  ARG  44          HH12      ARG  44   9.268   1.361 -11.565
  108   HH21  ARG  44          HH21      ARG  44   6.300   2.562 -12.553
  109   HH22  ARG  44          HH22      ARG  44   8.008   2.267 -12.853
  110    H    LEU  45           H        LEU  45   1.960  -1.853  -7.177
  111    HA   LEU  45           HA       LEU  45   3.544  -2.841  -4.979
  112    HB2  LEU  45           HB2      LEU  45   0.560  -2.503  -5.397
  113    HB3  LEU  45           HB3      LEU  45   1.255  -3.047  -3.873
  114    HG   LEU  45           HG       LEU  45   1.954  -0.378  -5.182
  115   HD11  LEU  45          HD11      LEU  45   0.094  -0.998  -2.862
  116   HD12  LEU  45          HD12      LEU  45  -0.408  -0.458  -4.477
  117   HD13  LEU  45          HD13      LEU  45   0.544   0.616  -3.430
  118   HD21  LEU  45          HD21      LEU  45   2.555  -1.505  -2.422
  119   HD22  LEU  45          HD22      LEU  45   2.799   0.176  -2.911
  120   HD23  LEU  45          HD23      LEU  45   3.734  -1.100  -3.690
  121    H    ARG  46           H        ARG  46   1.376  -4.594  -7.226
  122    HA   ARG  46           HA       ARG  46   1.765  -7.200  -5.990
  123    HB2  ARG  46           HB2      ARG  46   1.218  -6.333  -8.858
  124    HB3  ARG  46           HB3      ARG  46   1.317  -8.032  -8.358
  125    HG2  ARG  46           HG2      ARG  46  -0.560  -7.749  -6.817
  126    HG3  ARG  46           HG3      ARG  46  -0.616  -6.015  -7.148
  127    HD2  ARG  46           HD2      ARG  46  -0.929  -6.771  -9.655
  128    HD3  ARG  46           HD3      ARG  46  -1.407  -8.316  -8.946
  129    HE   ARG  46           HE       ARG  46  -2.704  -5.633  -8.569
  130   HH11  ARG  46          HH11      ARG  46  -3.282  -9.145  -8.480
  131   HH12  ARG  46          HH12      ARG  46  -4.956  -8.834  -8.058
  132   HH21  ARG  46          HH21      ARG  46  -4.642  -5.446  -7.876
  133   HH22  ARG  46          HH22      ARG  46  -5.729  -6.868  -7.773
  134    H    ASN  47           H        ASN  47   3.757  -5.248  -8.196
  135    HA   ASN  47           HA       ASN  47   5.824  -7.301  -8.467
  136    HB2  ASN  47           HB2      ASN  47   5.631  -4.377  -9.180
  137    HB3  ASN  47           HB3      ASN  47   7.198  -5.135  -9.035
  138   HD21  ASN  47          HD21      ASN  47   4.559  -4.635 -11.148
  139   HD22  ASN  47          HD22      ASN  47   5.186  -5.725 -12.389
  140    H    TYR  48           H        TYR  48   5.528  -4.438  -6.221
  141    HA   TYR  48           HA       TYR  48   7.808  -5.078  -4.727
  142    HB2  TYR  48           HB2      TYR  48   5.209  -3.777  -3.947
  143    HB3  TYR  48           HB3      TYR  48   6.419  -4.094  -2.812
  144    HD1  TYR  48           HD1      TYR  48   8.495  -2.829  -2.664
  145    HD2  TYR  48           HD2      TYR  48   5.364  -1.762  -5.393
  146    HE1  TYR  48           HE1      TYR  48   9.187  -0.431  -2.526
  147    HE2  TYR  48           HE2      TYR  48   6.026   0.624  -5.233
  148    HH   TYR  48           HH       TYR  48   8.652   1.713  -3.074
  149    H    LEU  49           H        LEU  49   4.660  -6.675  -4.454
  150    HA   LEU  49           HA       LEU  49   5.524  -8.183  -2.150
  151    HB2  LEU  49           HB2      LEU  49   3.239  -8.164  -4.052
  152    HB3  LEU  49           HB3      LEU  49   3.660  -9.785  -3.549
  153    HG   LEU  49           HG       LEU  49   3.198  -7.504  -1.607
  154   HD11  LEU  49          HD11      LEU  49   1.012  -8.652  -1.164
  155   HD12  LEU  49          HD12      LEU  49   1.330  -9.741  -2.528
  156   HD13  LEU  49          HD13      LEU  49   1.113  -7.997  -2.810
  157   HD21  LEU  49          HD21      LEU  49   2.915  -9.300   0.063
  158   HD22  LEU  49          HD22      LEU  49   4.521  -9.284  -0.637
  159   HD23  LEU  49          HD23      LEU  49   3.353 -10.507  -1.169
  160    H    LYS  50           H        LYS  50   5.638  -9.066  -5.636
  161    HA   LYS  50           HA       LYS  50   6.917 -11.629  -5.113
  162    HB2  LYS  50           HB2      LYS  50   6.910  -9.900  -7.613
  163    HB3  LYS  50           HB3      LYS  50   7.415 -11.595  -7.487
  164    HG2  LYS  50           HG2      LYS  50   5.222 -12.370  -7.057
  165    HG3  LYS  50           HG3      LYS  50   4.577 -10.744  -6.808
  166    HD2  LYS  50           HD2      LYS  50   5.684 -11.764  -9.464
  167    HD3  LYS  50           HD3      LYS  50   3.971 -11.747  -9.012
  168    HE2  LYS  50           HE2      LYS  50   4.116  -9.276  -8.657
  169    HE3  LYS  50           HE3      LYS  50   5.783  -9.295  -9.257
  170    HZ1  LYS  50           HZ1      LYS  50   4.038  -8.728 -10.924
  171    HZ2  LYS  50           HZ2      LYS  50   3.442 -10.235 -10.809
  172    HZ3  LYS  50           HZ3      LYS  50   4.981 -10.019 -11.388
  173    H    LYS  51           H        LYS  51   8.196  -8.409  -5.878
  174    HA   LYS  51           HA       LYS  51  10.971  -9.181  -5.976
  175    HB2  LYS  51           HB2      LYS  51   9.849  -7.488  -7.377
  176    HB3  LYS  51           HB3      LYS  51   9.626  -6.473  -5.947
  177    HG2  LYS  51           HG2      LYS  51  12.009  -6.282  -5.652
  178    HG3  LYS  51           HG3      LYS  51  12.307  -7.511  -6.875
  179    HD2  LYS  51           HD2      LYS  51  11.527  -6.079  -8.658
  180    HD3  LYS  51           HD3      LYS  51  10.997  -4.854  -7.491
  181    HE2  LYS  51           HE2      LYS  51  13.314  -4.545  -6.714
  182    HE3  LYS  51           HE3      LYS  51  13.883  -5.803  -7.811
  183    HZ1  LYS  51           HZ1      LYS  51  12.527  -3.336  -8.752
  184    HZ2  LYS  51           HZ2      LYS  51  14.167  -3.485  -8.606
  185    HZ3  LYS  51           HZ3      LYS  51  13.339  -4.442  -9.673
  186    H    GLY  52           H        GLY  52   8.833  -8.296  -3.349
  187    HA2  GLY  52           HA2      GLY  52  11.190  -7.712  -1.601
  188    HA3  GLY  52           HA3      GLY  52   9.631  -6.944  -1.490
  189    H    THR  53           H        THR  53   8.804 -10.164  -1.936
  190    HA   THR  53           HA       THR  53   9.392 -10.976   0.874
  191    HB   THR  53           HB       THR  53   7.334 -12.118   0.981
  192    HG1  THR  53           HG1      THR  53   6.831 -11.225  -1.699
  193   HG21  THR  53          HG21      THR  53   5.701 -10.397   0.959
  194   HG22  THR  53          HG22      THR  53   6.678  -9.417  -0.178
  195   HG23  THR  53          HG23      THR  53   7.245  -9.714   1.472
  196    H    LYS  54           H        LYS  54   9.291 -13.318   1.272
  197    HA   LYS  54           HA       LYS  54  10.891 -14.804  -0.633
  198    HB2  LYS  54           HB2      LYS  54   9.520 -15.914   1.834
  199    HB3  LYS  54           HB3      LYS  54  10.932 -16.556   1.007
  200    HG2  LYS  54           HG2      LYS  54  12.272 -14.602   1.743
  201    HG3  LYS  54           HG3      LYS  54  10.847 -13.894   2.510
  202    HD2  LYS  54           HD2      LYS  54  10.715 -16.129   3.867
  203    HD3  LYS  54           HD3      LYS  54  12.389 -16.359   3.327
  204    HE2  LYS  54           HE2      LYS  54  12.736 -15.242   5.341
  205    HE3  LYS  54           HE3      LYS  54  12.706 -13.882   4.212
  206    HZ1  LYS  54           HZ1      LYS  54  10.496 -14.812   5.968
  207    HZ2  LYS  54           HZ2      LYS  54  10.237 -13.734   4.783
  208    HZ3  LYS  54           HZ3      LYS  54  11.265 -13.362   6.025
  209    H    ASN  55           H        ASN  55   7.491 -14.845   0.359
  210    HA   ASN  55           HA       ASN  55   6.742 -15.970  -2.244
  211    HB2  ASN  55           HB2      ASN  55   6.842 -18.025  -0.902
  212    HB3  ASN  55           HB3      ASN  55   6.033 -17.211   0.447
  213   HD21  ASN  55          HD21      ASN  55   4.211 -18.425   0.651
  214   HD22  ASN  55          HD22      ASN  55   2.991 -18.599  -0.608
  215    H    SER  56           H        SER  56   5.398 -14.554  -3.012
  216    HA   SER  56           HA       SER  56   3.730 -12.838  -1.358
  217    HB2  SER  56           HB2      SER  56   3.030 -11.906  -3.555
  218    HB3  SER  56           HB3      SER  56   4.784 -11.898  -3.277
  219    HG   SER  56           HG       SER  56   5.018 -13.649  -4.630
  220    H    ALA  57           H        ALA  57   3.140 -15.983  -2.756
  221    HA   ALA  57           HA       ALA  57   0.438 -15.561  -3.575
  222    HB1  ALA  57           HB1      ALA  57   0.382 -18.017  -3.774
  223    HB2  ALA  57           HB2      ALA  57   1.901 -18.140  -2.878
  224    HB3  ALA  57           HB3      ALA  57   1.864 -17.343  -4.474
  225    H    GLN  58           H        GLN  58   1.623 -15.924  -0.391
  226    HA   GLN  58           HA       GLN  58  -0.780 -17.027   0.815
  227    HB2  GLN  58           HB2      GLN  58   0.333 -16.467   2.915
  228    HB3  GLN  58           HB3      GLN  58   1.441 -17.306   1.825
  229    HG2  GLN  58           HG2      GLN  58   2.444 -15.073   1.203
  230    HG3  GLN  58           HG3      GLN  58   1.406 -14.304   2.379
  231   HE21  GLN  58          HE21      GLN  58   4.457 -15.108   1.876
  232   HE22  GLN  58          HE22      GLN  58   4.922 -15.517   3.517
  233    H    PHE  59           H        PHE  59   0.070 -13.895  -0.376
  234    HA   PHE  59           HA       PHE  59  -1.571 -12.404   1.542
  235    HB2  PHE  59           HB2      PHE  59   0.096 -11.544  -0.818
  236    HB3  PHE  59           HB3      PHE  59  -0.867 -10.455   0.167
  237    HD1  PHE  59           HD1      PHE  59  -0.332 -10.021   2.529
  238    HD2  PHE  59           HD2      PHE  59   2.185 -12.543   0.135
  239    HE1  PHE  59           HE1      PHE  59   1.453  -9.856   4.242
  240    HE2  PHE  59           HE2      PHE  59   3.990 -12.364   1.825
  241    HZ   PHE  59           HZ       PHE  59   3.626 -11.023   3.879
  242    H    GLU  60           H        GLU  60  -3.344 -11.148   1.075
  243    HA   GLU  60           HA       GLU  60  -5.095 -12.227  -1.138
  244    HB2  GLU  60           HB2      GLU  60  -5.580 -13.437   0.819
  245    HB3  GLU  60           HB3      GLU  60  -5.491 -12.008   1.859
  246    HG2  GLU  60           HG2      GLU  60  -7.568 -11.131   0.981
  247    HG3  GLU  60           HG3      GLU  60  -7.642 -12.407  -0.253
  248    H    LYS  61           H        LYS  61  -4.424  -9.482   1.036
  249    HA   LYS  61           HA       LYS  61  -5.401  -7.700  -1.042
  250    HB2  LYS  61           HB2      LYS  61  -7.093  -6.584   0.097
  251    HB3  LYS  61           HB3      LYS  61  -7.440  -8.276   0.379
  252    HG2  LYS  61           HG2      LYS  61  -6.466  -8.068   2.693
  253    HG3  LYS  61           HG3      LYS  61  -6.138  -6.350   2.378
  254    HD2  LYS  61           HD2      LYS  61  -8.465  -5.859   2.045
  255    HD3  LYS  61           HD3      LYS  61  -8.861  -7.578   2.043
  256    HE2  LYS  61           HE2      LYS  61  -8.116  -7.729   4.434
  257    HE3  LYS  61           HE3      LYS  61  -7.881  -5.968   4.402
  258    HZ1  LYS  61           HZ1      LYS  61 -10.444  -7.347   3.845
  259    HZ2  LYS  61           HZ2      LYS  61 -10.208  -5.697   3.924
  260    HZ3  LYS  61           HZ3      LYS  61 -10.098  -6.645   5.268
  261    H    MET  62           H        MET  62  -5.287  -5.438  -0.267
  262    HA   MET  62           HA       MET  62  -3.144  -4.856   1.654
  263    HB2  MET  62           HB2      MET  62  -1.763  -3.607   0.098
  264    HB3  MET  62           HB3      MET  62  -1.881  -5.297  -0.381
  265    HG2  MET  62           HG2      MET  62  -3.357  -4.801  -2.197
  266    HG3  MET  62           HG3      MET  62  -3.619  -3.145  -1.628
  267    HE1  MET  62           HE1      MET  62  -1.739  -2.454  -4.893
  268    HE2  MET  62           HE2      MET  62  -3.314  -2.612  -4.094
  269    HE3  MET  62           HE3      MET  62  -2.497  -4.048  -4.763
  270    H    VAL  63           H        VAL  63  -2.782  -2.576   1.984
  271    HA   VAL  63           HA       VAL  63  -4.890  -0.722   1.114
  272    HB   VAL  63           HB       VAL  63  -5.696  -1.700   3.258
  273   HG11  VAL  63          HG11      VAL  63  -4.564  -1.436   5.283
  274   HG12  VAL  63          HG12      VAL  63  -3.306  -0.393   4.532
  275   HG13  VAL  63          HG13      VAL  63  -3.379  -2.107   4.165
  276   HG21  VAL  63          HG21      VAL  63  -6.059   0.335   4.535
  277   HG22  VAL  63          HG22      VAL  63  -6.375   0.614   2.825
  278   HG23  VAL  63          HG23      VAL  63  -4.871   1.216   3.566
  279    H    ILE  64           H        ILE  64  -4.220   1.408   1.088
  280    HA   ILE  64           HA       ILE  64  -1.243   1.791   1.103
  281    HB   ILE  64           HB       ILE  64  -3.299   2.670  -0.960
  282   HG12  ILE  64          HG12      ILE  64  -1.174   0.551  -1.437
  283   HG13  ILE  64          HG13      ILE  64  -2.795   0.113  -0.916
  284   HG21  ILE  64          HG21      ILE  64  -0.252   2.759  -1.039
  285   HG22  ILE  64          HG22      ILE  64  -1.306   4.168  -0.774
  286   HG23  ILE  64          HG23      ILE  64  -1.349   3.329  -2.315
  287   HD11  ILE  64          HD11      ILE  64  -3.776   1.224  -2.880
  288   HD12  ILE  64          HD12      ILE  64  -2.687  -0.111  -3.291
  289   HD13  ILE  64          HD13      ILE  64  -2.137   1.559  -3.494
  290    H    LEU  65           H        LEU  65  -0.573   3.624   2.059
  291    HA   LEU  65           HA       LEU  65  -2.554   5.786   2.652
  292    HB2  LEU  65           HB2      LEU  65  -0.022   5.306   4.231
  293    HB3  LEU  65           HB3      LEU  65  -1.349   6.384   4.605
  294    HG   LEU  65           HG       LEU  65  -1.365   3.356   4.743
  295   HD11  LEU  65          HD11      LEU  65  -1.630   3.658   7.137
  296   HD12  LEU  65          HD12      LEU  65  -1.731   5.420   6.950
  297   HD13  LEU  65          HD13      LEU  65  -0.209   4.587   6.612
  298   HD21  LEU  65          HD21      LEU  65  -3.621   4.109   4.062
  299   HD22  LEU  65          HD22      LEU  65  -3.613   5.326   5.354
  300   HD23  LEU  65          HD23      LEU  65  -3.637   3.591   5.748
  301    H    THR  66           H        THR  66  -2.177   7.630   1.592
  302    HA   THR  66           HA       THR  66   0.475   7.950   0.208
  303    HB   THR  66           HB       THR  66  -0.653   9.204  -1.498
  304    HG1  THR  66           HG1      THR  66  -2.209  10.270  -0.445
  305   HG21  THR  66          HG21      THR  66  -0.744   6.736  -1.750
  306   HG22  THR  66          HG22      THR  66  -2.105   7.572  -2.515
  307   HG23  THR  66          HG23      THR  66  -2.342   6.735  -0.969
  308    H    GLU  67           H        GLU  67   1.106  10.137  -0.290
  309    HA   GLU  67           HA       GLU  67   1.070  12.163   1.706
  310    HB2  GLU  67           HB2      GLU  67   1.433  11.958  -1.284
  311    HB3  GLU  67           HB3      GLU  67   1.298  13.552  -0.591
  312    HG2  GLU  67           HG2      GLU  67   3.280  11.464   0.434
  313    HG3  GLU  67           HG3      GLU  67   3.644  12.524  -0.928
  314    H    ASN  68           H        ASN  68  -0.176  14.092   1.748
  315    HA   ASN  68           HA       ASN  68  -2.133  15.179   2.106
  316    HB2  ASN  68           HB2      ASN  68  -2.781  14.242  -0.704
  317    HB3  ASN  68           HB3      ASN  68  -3.529  15.602   0.111
  318   HD21  ASN  68          HD21      ASN  68  -1.099  14.773  -2.010
  319   HD22  ASN  68          HD22      ASN  68   0.107  16.001  -1.620
  320    H    LYS  69           H        LYS  69  -2.059  12.664   3.230
  321    HA   LYS  69           HA       LYS  69  -3.280  11.145   4.375
  322    HB2  LYS  69           HB2      LYS  69  -5.429  13.280   4.320
  323    HB3  LYS  69           HB3      LYS  69  -5.192  12.022   5.538
  324    HG2  LYS  69           HG2      LYS  69  -2.896  13.057   6.003
  325    HG3  LYS  69           HG3      LYS  69  -3.413  14.429   5.010
  326    HD2  LYS  69           HD2      LYS  69  -4.652  13.433   7.601
  327    HD3  LYS  69           HD3      LYS  69  -3.785  14.948   7.324
  328    HE2  LYS  69           HE2      LYS  69  -5.631  15.625   5.713
  329    HE3  LYS  69           HE3      LYS  69  -6.498  14.154   6.175
  330    HZ1  LYS  69           HZ1      LYS  69  -5.851  16.465   7.903
  331    HZ2  LYS  69           HZ2      LYS  69  -6.393  15.030   8.525
  332    HZ3  LYS  69           HZ3      LYS  69  -7.327  15.918   7.499
  333    H    GLY  70           H        GLY  70  -3.608  10.719   1.475
  334    HA2  GLY  70           HA2      GLY  70  -6.290   9.645   1.124
  335    HA3  GLY  70           HA3      GLY  70  -4.887   9.265   0.134
  336    H    TYR  71           H        TYR  71  -6.989   7.598   1.201
  337    HA   TYR  71           HA       TYR  71  -5.410   5.377   2.362
  338    HB2  TYR  71           HB2      TYR  71  -6.485   6.459   4.296
  339    HB3  TYR  71           HB3      TYR  71  -8.047   6.390   3.504
  340    HD1  TYR  71           HD1      TYR  71  -9.014   4.010   2.934
  341    HD2  TYR  71           HD2      TYR  71  -5.855   4.694   5.817
  342    HE1  TYR  71           HE1      TYR  71  -9.468   1.806   3.977
  343    HE2  TYR  71           HE2      TYR  71  -6.383   2.545   6.886
  344    HH   TYR  71           HH       TYR  71  -8.770   0.246   5.546
  345    H    TYR  72           H        TYR  72  -5.750   3.651   1.103
  346    HA   TYR  72           HA       TYR  72  -8.287   3.279  -0.447
  347    HB2  TYR  72           HB2      TYR  72  -5.480   3.099  -1.619
  348    HB3  TYR  72           HB3      TYR  72  -7.001   2.909  -2.466
  349    HD1  TYR  72           HD1      TYR  72  -8.427   4.893  -2.960
  350    HD2  TYR  72           HD2      TYR  72  -4.545   5.285  -1.117
  351    HE1  TYR  72           HE1      TYR  72  -8.419   7.306  -3.499
  352    HE2  TYR  72           HE2      TYR  72  -4.534   7.722  -1.674
  353    HH   TYR  72           HH       TYR  72  -7.311   9.277  -3.302
  354    H    THR  73           H        THR  73  -8.747   1.053  -0.896
  355    HA   THR  73           HA       THR  73  -6.683  -0.946  -0.145
  356    HB   THR  73           HB       THR  73  -8.042  -0.681   1.856
  357    HG1  THR  73           HG1      THR  73  -7.208  -2.762   1.094
  358   HG21  THR  73          HG21      THR  73 -10.407  -1.714   0.236
  359   HG22  THR  73          HG22      THR  73 -10.227  -0.043   0.817
  360   HG23  THR  73          HG23      THR  73 -10.363  -1.368   1.975
  361    H    VAL  74           H        VAL  74  -6.676  -2.843  -1.240
  362    HA   VAL  74           HA       VAL  74  -8.628  -3.299  -3.419
  363    HB   VAL  74           HB       VAL  74  -5.644  -3.165  -4.005
  364   HG11  VAL  74          HG11      VAL  74  -6.392  -3.101  -6.351
  365   HG12  VAL  74          HG12      VAL  74  -8.095  -3.141  -5.833
  366   HG13  VAL  74          HG13      VAL  74  -7.029  -4.535  -5.561
  367   HG21  VAL  74          HG21      VAL  74  -6.244  -0.850  -3.527
  368   HG22  VAL  74          HG22      VAL  74  -7.685  -0.979  -4.566
  369   HG23  VAL  74          HG23      VAL  74  -6.048  -1.065  -5.262
  370    H    TYR  75           H        TYR  75  -8.667  -5.487  -4.061
  371    HA   TYR  75           HA       TYR  75  -7.277  -7.361  -2.223
  372    HB2  TYR  75           HB2      TYR  75  -9.661  -7.612  -4.056
  373    HB3  TYR  75           HB3      TYR  75  -8.820  -9.025  -3.436
  374    HD1  TYR  75           HD1      TYR  75 -10.519  -5.868  -2.282
  375    HD2  TYR  75           HD2      TYR  75  -9.210  -9.852  -1.253
  376    HE1  TYR  75           HE1      TYR  75 -11.677  -5.687  -0.091
  377    HE2  TYR  75           HE2      TYR  75 -10.404  -9.679   0.912
  378    HH   TYR  75           HH       TYR  75 -11.532  -8.324   2.323
  379    H    LEU  76           H        LEU  76  -5.936  -8.932  -2.820
  380    HA   LEU  76           HA       LEU  76  -4.510  -8.670  -5.405
  381    HB2  LEU  76           HB2      LEU  76  -3.970 -10.264  -2.871
  382    HB3  LEU  76           HB3      LEU  76  -2.914 -10.258  -4.274
  383    HG   LEU  76           HG       LEU  76  -3.636  -7.657  -2.846
  384   HD11  LEU  76          HD11      LEU  76  -1.553  -7.849  -1.610
  385   HD12  LEU  76          HD12      LEU  76  -1.304  -9.497  -2.251
  386   HD13  LEU  76          HD13      LEU  76  -2.674  -9.143  -1.172
  387   HD21  LEU  76          HD21      LEU  76  -2.595  -7.482  -5.105
  388   HD22  LEU  76          HD22      LEU  76  -1.229  -8.472  -4.535
  389   HD23  LEU  76          HD23      LEU  76  -1.543  -6.865  -3.833
  390    H    ASN  77           H        ASN  77  -7.000 -10.591  -4.034
  391    HA   ASN  77           HA       ASN  77  -6.791 -13.075  -5.330
  392    HB2  ASN  77           HB2      ASN  77  -9.210 -11.295  -4.730
  393    HB3  ASN  77           HB3      ASN  77  -9.359 -12.944  -5.294
  394   HD21  ASN  77          HD21      ASN  77 -10.572 -12.155  -3.008
  395   HD22  ASN  77          HD22      ASN  77  -9.829 -12.990  -1.658
  396    H    THR  78           H        THR  78  -7.554  -9.967  -6.807
  397    HA   THR  78           HA       THR  78  -7.994 -11.105  -9.494
  398    HB   THR  78           HB       THR  78 -10.045  -9.668  -9.673
  399    HG1  THR  78           HG1      THR  78 -10.965  -8.899  -7.742
  400   HG21  THR  78          HG21      THR  78 -10.427 -11.512  -7.293
  401   HG22  THR  78          HG22      THR  78 -10.317 -12.085  -8.977
  402   HG23  THR  78          HG23      THR  78 -11.627 -10.996  -8.490
  403    HA   PRO  79           HA       PRO  79  -6.229  -7.019 -10.515
  404    HB2  PRO  79           HB2      PRO  79  -7.398  -6.551 -12.924
  405    HB3  PRO  79           HB3      PRO  79  -6.113  -7.785 -12.709
  406    HG2  PRO  79           HG2      PRO  79  -9.098  -8.224 -12.685
  407    HG3  PRO  79           HG3      PRO  79  -7.881  -9.099 -13.684
  408    HD2  PRO  79           HD2      PRO  79  -8.861 -10.041 -11.336
  409    HD3  PRO  79           HD3      PRO  79  -7.162 -10.315 -11.732
  410    H    LEU  80           H        LEU  80  -6.968  -4.876 -10.357
  411    HA   LEU  80           HA       LEU  80  -9.421  -4.521  -8.933
  412    HB2  LEU  80           HB2      LEU  80  -8.762  -2.354  -8.532
  413    HB3  LEU  80           HB3      LEU  80  -7.267  -3.270  -8.575
  414    HG   LEU  80           HG       LEU  80  -8.326  -1.425 -10.764
  415   HD11  LEU  80          HD11      LEU  80  -6.514   0.037 -10.123
  416   HD12  LEU  80          HD12      LEU  80  -5.908  -1.141  -8.939
  417   HD13  LEU  80          HD13      LEU  80  -7.463  -0.333  -8.678
  418   HD21  LEU  80          HD21      LEU  80  -5.689  -2.962 -10.618
  419   HD22  LEU  80          HD22      LEU  80  -6.070  -1.689 -11.794
  420   HD23  LEU  80          HD23      LEU  80  -6.985  -3.188 -11.824
  421    H    ALA  81           H        ALA  81 -11.206  -3.199  -9.394
  422    HA   ALA  81           HA       ALA  81 -12.340  -3.590 -11.984
  423    HB1  ALA  81           HB1      ALA  81 -13.260  -1.883  -9.622
  424    HB2  ALA  81           HB2      ALA  81 -13.617  -3.607  -9.871
  425    HB3  ALA  81           HB3      ALA  81 -14.274  -2.399 -10.986
  426    H    GLU  82           H        GLU  82 -13.215  -2.011 -13.458
  427    HA   GLU  82           HA       GLU  82 -11.627   0.112 -14.335
  428    HB2  GLU  82           HB2      GLU  82 -13.586   0.891 -15.570
  429    HB3  GLU  82           HB3      GLU  82 -13.306  -0.838 -15.746
  430    HG2  GLU  82           HG2      GLU  82 -15.172  -1.372 -14.314
  431    HG3  GLU  82           HG3      GLU  82 -15.346   0.305 -13.791
  432    H    ASP  83           H        ASP  83 -14.023   0.271 -11.767
  433    HA   ASP  83           HA       ASP  83 -14.192   3.150 -11.549
  434    HB2  ASP  83           HB2      ASP  83 -14.696   0.932  -9.537
  435    HB3  ASP  83           HB3      ASP  83 -15.229   2.610  -9.354
  436    H    ARG  84           H        ARG  84 -11.705   0.990 -10.772
  437    HA   ARG  84           HA       ARG  84 -10.360   2.871  -8.858
  438    HB2  ARG  84           HB2      ARG  84 -10.155  -0.168  -9.039
  439    HB3  ARG  84           HB3      ARG  84  -9.289   0.886  -7.912
  440    HG2  ARG  84           HG2      ARG  84 -11.470   1.664  -6.995
  441    HG3  ARG  84           HG3      ARG  84 -12.308   0.498  -8.032
  442    HD2  ARG  84           HD2      ARG  84 -11.107  -1.344  -6.878
  443    HD3  ARG  84           HD3      ARG  84 -10.296  -0.168  -5.846
  444    HE   ARG  84           HE       ARG  84 -12.401   0.397  -4.801
  445   HH11  ARG  84          HH11      ARG  84 -12.731  -2.559  -6.742
  446   HH12  ARG  84          HH12      ARG  84 -14.354  -2.806  -6.142
  447   HH21  ARG  84          HH21      ARG  84 -14.323  -0.054  -4.075
  448   HH22  ARG  84          HH22      ARG  84 -15.237  -1.444  -4.653
  449    H    LYS  85           H        LYS  85 -10.023   1.093 -11.878
  450    HA   LYS  85           HA       LYS  85  -7.220   1.454 -12.358
  451    HB2  LYS  85           HB2      LYS  85  -9.670   1.358 -14.152
  452    HB3  LYS  85           HB3      LYS  85  -8.037   1.563 -14.807
  453    HG2  LYS  85           HG2      LYS  85  -7.296  -0.532 -13.758
  454    HG3  LYS  85           HG3      LYS  85  -8.907  -0.780 -13.060
  455    HD2  LYS  85           HD2      LYS  85  -9.891  -0.878 -15.324
  456    HD3  LYS  85           HD3      LYS  85  -8.287  -0.593 -16.038
  457    HE2  LYS  85           HE2      LYS  85  -7.434  -2.663 -15.104
  458    HE3  LYS  85           HE3      LYS  85  -8.916  -2.926 -14.174
  459    HZ1  LYS  85           HZ1      LYS  85  -8.760  -4.213 -16.261
  460    HZ2  LYS  85           HZ2      LYS  85  -8.903  -2.802 -17.134
  461    HZ3  LYS  85           HZ3      LYS  85 -10.125  -3.294 -16.174
  462    H    ASN  86           H        ASN  86  -9.864   3.702 -12.487
  463    HA   ASN  86           HA       ASN  86  -8.103   5.890 -13.496
  464    HB2  ASN  86           HB2      ASN  86 -11.063   5.264 -13.859
  465    HB3  ASN  86           HB3      ASN  86 -10.283   6.724 -14.442
  466   HD21  ASN  86          HD21      ASN  86  -8.194   6.261 -15.831
  467   HD22  ASN  86          HD22      ASN  86  -8.435   4.954 -16.996
  468    H    VAL  87           H        VAL  87  -9.053   5.040 -10.517
  469    HA   VAL  87           HA       VAL  87 -10.293   7.519  -9.601
  470    HB   VAL  87           HB       VAL  87 -10.483   5.246  -8.491
  471   HG11  VAL  87          HG11      VAL  87  -8.891   4.530  -6.873
  472   HG12  VAL  87          HG12      VAL  87  -7.835   5.921  -7.163
  473   HG13  VAL  87          HG13      VAL  87  -8.032   4.689  -8.421
  474   HG21  VAL  87          HG21      VAL  87 -11.260   7.316  -7.420
  475   HG22  VAL  87          HG22      VAL  87  -9.641   7.591  -6.736
  476   HG23  VAL  87          HG23      VAL  87 -10.605   6.188  -6.230
  477    H    GLU  88           H        GLU  88  -9.282   9.404  -9.001
  478    HA   GLU  88           HA       GLU  88  -6.410   9.672  -9.484
  479    HB2  GLU  88           HB2      GLU  88  -8.511  11.656  -8.490
  480    HB3  GLU  88           HB3      GLU  88  -6.816  12.028  -8.751
  481    HG2  GLU  88           HG2      GLU  88  -7.801  12.794 -10.688
  482    HG3  GLU  88           HG3      GLU  88  -7.083  11.259 -11.157
  483    H    LEU  89           H        LEU  89  -4.879   9.251  -8.081
  484    HA   LEU  89           HA       LEU  89  -5.204   8.878  -5.230
  485    HB2  LEU  89           HB2      LEU  89  -2.777   9.284  -7.040
  486    HB3  LEU  89           HB3      LEU  89  -2.648   8.902  -5.341
  487    HG   LEU  89           HG       LEU  89  -3.956   7.125  -7.428
  488   HD11  LEU  89          HD11      LEU  89  -2.029   5.656  -7.119
  489   HD12  LEU  89          HD12      LEU  89  -1.332   6.783  -5.934
  490   HD13  LEU  89          HD13      LEU  89  -1.489   7.262  -7.631
  491   HD21  LEU  89          HD21      LEU  89  -3.411   6.641  -4.468
  492   HD22  LEU  89          HD22      LEU  89  -3.875   5.386  -5.627
  493   HD23  LEU  89          HD23      LEU  89  -5.003   6.689  -5.261
  494    H    LEU  90           H        LEU  90  -4.972  10.270  -3.568
  495    HA   LEU  90           HA       LEU  90  -4.932  13.112  -3.919
  496    HB2  LEU  90           HB2      LEU  90  -4.712  11.204  -1.577
  497    HB3  LEU  90           HB3      LEU  90  -4.549  12.933  -1.319
  498    HG   LEU  90           HG       LEU  90  -6.958  11.843  -2.812
  499   HD11  LEU  90          HD11      LEU  90  -8.167  11.939  -0.636
  500   HD12  LEU  90          HD12      LEU  90  -6.615  12.158   0.196
  501   HD13  LEU  90          HD13      LEU  90  -6.959  10.661  -0.713
  502   HD21  LEU  90          HD21      LEU  90  -6.530  14.340  -1.111
  503   HD22  LEU  90          HD22      LEU  90  -8.003  13.909  -2.004
  504   HD23  LEU  90          HD23      LEU  90  -6.523  14.297  -2.888
  505    H    GLY  91           H        GLY  91  -2.276  10.880  -3.567
  506    HA2  GLY  91           HA2      GLY  91  -0.300  12.864  -4.231
  507    HA3  GLY  91           HA3      GLY  91  -0.244  12.469  -2.522
  508    H    LYS  92           H        LYS  92   2.007  11.831  -3.459
  509    HA   LYS  92           HA       LYS  92   2.408   9.308  -4.800
  510    HB2  LYS  92           HB2      LYS  92   4.040  11.197  -3.126
  511    HB3  LYS  92           HB3      LYS  92   4.561   9.534  -3.145
  512    HG2  LYS  92           HG2      LYS  92   5.755  10.655  -4.841
  513    HG3  LYS  92           HG3      LYS  92   4.638   9.560  -5.637
  514    HD2  LYS  92           HD2      LYS  92   3.191  11.366  -6.303
  515    HD3  LYS  92           HD3      LYS  92   4.033  12.526  -5.246
  516    HE2  LYS  92           HE2      LYS  92   6.065  12.352  -6.541
  517    HE3  LYS  92           HE3      LYS  92   5.399  11.054  -7.532
  518    HZ1  LYS  92           HZ1      LYS  92   5.319  13.301  -8.616
  519    HZ2  LYS  92           HZ2      LYS  92   4.268  13.816  -7.486
  520    HZ3  LYS  92           HZ3      LYS  92   3.859  12.598  -8.528
  521    H    MET  93           H        MET  93   2.684   7.234  -4.061
  522    HA   MET  93           HA       MET  93   1.495   6.288  -1.633
  523    HB2  MET  93           HB2      MET  93   2.047   4.947  -3.682
  524    HB3  MET  93           HB3      MET  93   3.752   5.001  -3.245
  525    HG2  MET  93           HG2      MET  93   1.632   3.954  -1.344
  526    HG3  MET  93           HG3      MET  93   2.279   2.928  -2.609
  527    HE1  MET  93           HE1      MET  93   4.488   1.565  -2.492
  528    HE2  MET  93           HE2      MET  93   5.305   3.108  -2.808
  529    HE3  MET  93           HE3      MET  93   5.867   2.050  -1.500
  530    H    TYR  94           H        TYR  94   2.220   6.262   0.449
  531    HA   TYR  94           HA       TYR  94   5.113   6.891   0.941
  532    HB2  TYR  94           HB2      TYR  94   3.763   8.855   1.427
  533    HB3  TYR  94           HB3      TYR  94   2.687   7.904   2.449
  534    HD1  TYR  94           HD1      TYR  94   6.400   8.522   2.071
  535    HD2  TYR  94           HD2      TYR  94   3.079   7.942   4.763
  536    HE1  TYR  94           HE1      TYR  94   7.920   8.821   4.004
  537    HE2  TYR  94           HE2      TYR  94   4.602   8.261   6.700
  538    HH   TYR  94           HH       TYR  94   8.129   8.774   6.263
  539    H    LYS  95           H        LYS  95   2.234   5.112   2.065
  540    HA   LYS  95           HA       LYS  95   4.104   3.023   3.030
  541    HB2  LYS  95           HB2      LYS  95   1.630   3.919   4.530
  542    HB3  LYS  95           HB3      LYS  95   2.585   2.502   4.924
  543    HG2  LYS  95           HG2      LYS  95   3.709   5.326   5.045
  544    HG3  LYS  95           HG3      LYS  95   2.869   4.524   6.371
  545    HD2  LYS  95           HD2      LYS  95   4.522   2.733   6.447
  546    HD3  LYS  95           HD3      LYS  95   5.364   3.393   5.047
  547    HE2  LYS  95           HE2      LYS  95   6.529   3.998   7.110
  548    HE3  LYS  95           HE3      LYS  95   5.934   5.432   6.276
  549    HZ1  LYS  95           HZ1      LYS  95   4.698   4.162   8.681
  550    HZ2  LYS  95           HZ2      LYS  95   4.033   5.429   7.867
  551    HZ3  LYS  95           HZ3      LYS  95   5.449   5.639   8.607
  552    H    THR  96           H        THR  96   3.301   0.929   2.791
  553    HA   THR  96           HA       THR  96   0.442   0.563   2.065
  554    HB   THR  96           HB       THR  96   2.634  -0.994   0.643
  555    HG1  THR  96           HG1      THR  96   2.245   1.271   0.178
  556   HG21  THR  96          HG21      THR  96   0.785  -1.744  -0.823
  557   HG22  THR  96          HG22      THR  96  -0.383  -0.858   0.167
  558   HG23  THR  96          HG23      THR  96   0.479  -2.255   0.833
  559    H    TYR  97           H        TYR  97  -0.430  -1.217   2.912
  560    HA   TYR  97           HA       TYR  97   1.197  -2.955   4.735
  561    HB2  TYR  97           HB2      TYR  97  -1.583  -1.847   5.305
  562    HB3  TYR  97           HB3      TYR  97  -0.674  -2.919   6.313
  563    HD1  TYR  97           HD1      TYR  97  -0.790   0.561   4.963
  564    HD2  TYR  97           HD2      TYR  97   0.900  -2.106   7.884
  565    HE1  TYR  97           HE1      TYR  97   0.401   2.461   6.043
  566    HE2  TYR  97           HE2      TYR  97   2.136  -0.220   8.916
  567    HH   TYR  97           HH       TYR  97   2.793   2.024   8.637
  568    H    PHE  98           H        PHE  98   0.808  -5.082   4.608
  569    HA   PHE  98           HA       PHE  98  -1.270  -6.078   2.685
  570    HB2  PHE  98           HB2      PHE  98   1.627  -6.893   3.074
  571    HB3  PHE  98           HB3      PHE  98   0.494  -7.716   2.033
  572    HD1  PHE  98           HD1      PHE  98   2.498  -4.593   2.424
  573    HD2  PHE  98           HD2      PHE  98  -0.084  -6.905  -0.129
  574    HE1  PHE  98           HE1      PHE  98   3.212  -3.243   0.459
  575    HE2  PHE  98           HE2      PHE  98   0.664  -5.579  -2.093
  576    HZ   PHE  98           HZ       PHE  98   2.344  -3.779  -1.802
  577    H    PHE  99           H        PHE  99  -2.191  -8.041   3.017
  578    HA   PHE  99           HA       PHE  99  -1.986  -9.232   5.766
  579    HB2  PHE  99           HB2      PHE  99  -4.490  -8.733   4.110
  580    HB3  PHE  99           HB3      PHE  99  -4.419  -9.211   5.787
  581    HD1  PHE  99           HD1      PHE  99  -4.037  -6.436   3.395
  582    HD2  PHE  99           HD2      PHE  99  -4.034  -7.492   7.551
  583    HE1  PHE  99           HE1      PHE  99  -4.025  -4.065   3.976
  584    HE2  PHE  99           HE2      PHE  99  -4.001  -5.064   8.149
  585    HZ   PHE  99           HZ       PHE  99  -3.898  -3.346   6.384
  586    H    LYS 100           H        LYS 100  -2.019 -11.500   5.880
  587    HA   LYS 100           HA       LYS 100  -2.003 -13.013   3.357
  588    HB2  LYS 100           HB2      LYS 100  -1.911 -14.072   6.194
  589    HB3  LYS 100           HB3      LYS 100  -1.814 -15.019   4.711
  590    HG2  LYS 100           HG2      LYS 100   0.338 -14.926   5.303
  591    HG3  LYS 100           HG3      LYS 100   0.215 -13.694   4.052
  592    HD2  LYS 100           HD2      LYS 100   0.467 -11.920   5.610
  593    HD3  LYS 100           HD3      LYS 100   0.151 -12.971   6.997
  594    HE2  LYS 100           HE2      LYS 100   2.497 -13.531   5.164
  595    HE3  LYS 100           HE3      LYS 100   2.636 -12.311   6.435
  596    HZ1  LYS 100           HZ1      LYS 100   1.842 -15.114   6.943
  597    HZ2  LYS 100           HZ2      LYS 100   2.068 -13.965   8.072
  598    HZ3  LYS 100           HZ3      LYS 100   3.361 -14.520   7.169
  599    H    LYS 101           H        LYS 101  -3.397 -14.890   3.020
  600    HA   LYS 101           HA       LYS 101  -6.109 -14.235   2.876
  601    HB2  LYS 101           HB2      LYS 101  -6.555 -16.565   2.303
  602    HB3  LYS 101           HB3      LYS 101  -5.212 -15.844   1.427
  603    HG2  LYS 101           HG2      LYS 101  -3.611 -17.043   2.977
  604    HG3  LYS 101           HG3      LYS 101  -5.008 -17.878   3.689
  605    HD2  LYS 101           HD2      LYS 101  -5.601 -18.784   1.451
  606    HD3  LYS 101           HD3      LYS 101  -4.217 -17.921   0.744
  607    HE2  LYS 101           HE2      LYS 101  -2.687 -19.203   2.230
  608    HE3  LYS 101           HE3      LYS 101  -4.069 -20.133   2.833
  609    HZ1  LYS 101           HZ1      LYS 101  -4.438 -20.962   0.602
  610    HZ2  LYS 101           HZ2      LYS 101  -2.858 -21.237   1.004
  611    HZ3  LYS 101           HZ3      LYS 101  -3.243 -20.006  -0.023
  612    H    GLY 102           H        GLY 102  -7.464 -13.693   4.328
  613    HA2  GLY 102           HA2      GLY 102  -9.058 -14.366   6.012
  614    HA3  GLY 102           HA3      GLY 102  -7.830 -15.339   6.804
  615    H    GLU 103           H        GLU 103  -6.074 -12.614   6.242
  616    HA   GLU 103           HA       GLU 103  -6.420 -11.920   9.067
  617    HB2  GLU 103           HB2      GLU 103  -4.346 -11.087   7.013
  618    HB3  GLU 103           HB3      GLU 103  -4.290 -10.694   8.734
  619    HG2  GLU 103           HG2      GLU 103  -4.330 -13.163   9.240
  620    HG3  GLU 103           HG3      GLU 103  -4.167 -13.480   7.507
  621    H    SER 104           H        SER 104  -6.390  -9.877   9.964
  622    HA   SER 104           HA       SER 104  -7.271  -7.516   8.361
  623    HB2  SER 104           HB2      SER 104  -8.523  -8.354  10.990
  624    HB3  SER 104           HB3      SER 104  -8.927  -6.923  10.041
  625    HG   SER 104           HG       SER 104  -9.439  -9.645   9.533
  626    H    LYS 105           H        LYS 105  -4.702  -8.402   9.811
  627    HA   LYS 105           HA       LYS 105  -4.021  -5.618  10.349
  628    HB2  LYS 105           HB2      LYS 105  -4.499  -6.482  12.619
  629    HB3  LYS 105           HB3      LYS 105  -3.304  -7.769  12.372
  630    HG2  LYS 105           HG2      LYS 105  -1.495  -6.244  12.358
  631    HG3  LYS 105           HG3      LYS 105  -2.528  -4.839  12.157
  632    HD2  LYS 105           HD2      LYS 105  -1.946  -4.759  14.438
  633    HD3  LYS 105           HD3      LYS 105  -3.562  -5.480  14.462
  634    HE2  LYS 105           HE2      LYS 105  -2.462  -7.754  14.443
  635    HE3  LYS 105           HE3      LYS 105  -0.892  -6.937  14.553
  636    HZ1  LYS 105           HZ1      LYS 105  -1.600  -7.559  16.748
  637    HZ2  LYS 105           HZ2      LYS 105  -3.079  -6.845  16.549
  638    HZ3  LYS 105           HZ3      LYS 105  -1.697  -5.935  16.658
  639    H    SER 106           H        SER 106  -1.914  -5.224   9.590
  640    HA   SER 106           HA       SER 106  -1.160  -7.109   7.570
  641    HB2  SER 106           HB2      SER 106   0.547  -5.639   6.859
  642    HB3  SER 106           HB3      SER 106  -0.807  -4.667   7.435
  643    HG   SER 106           HG       SER 106   1.742  -5.113   8.717
  644    H    SER 107           H        SER 107   0.910  -8.004   7.097
  645    HA   SER 107           HA       SER 107   2.785  -8.493   9.381
  646    HB2  SER 107           HB2      SER 107   1.326 -10.563   8.729
  647    HB3  SER 107           HB3      SER 107   2.228 -10.550   7.223
  648    HG   SER 107           HG       SER 107   3.242 -10.786   9.875
  649    H    TYR 108           H        TYR 108   2.340  -7.267   6.284
  650    HA   TYR 108           HA       TYR 108   5.237  -7.047   5.848
  651    HB2  TYR 108           HB2      TYR 108   4.667  -9.009   4.564
  652    HB3  TYR 108           HB3      TYR 108   3.275  -8.210   3.853
  653    HD1  TYR 108           HD1      TYR 108   6.992  -7.793   4.155
  654    HD2  TYR 108           HD2      TYR 108   3.509  -7.397   1.664
  655    HE1  TYR 108           HE1      TYR 108   8.444  -7.089   2.232
  656    HE2  TYR 108           HE2      TYR 108   4.948  -6.742  -0.247
  657    HH   TYR 108           HH       TYR 108   7.144  -6.541  -1.035
  658    H    VAL 109           H        VAL 109   5.798  -5.170   5.098
  659    HA   VAL 109           HA       VAL 109   3.853  -3.121   4.211
  660    HB   VAL 109           HB       VAL 109   5.073  -1.643   6.060
  661   HG11  VAL 109          HG11      VAL 109   2.853  -3.558   6.770
  662   HG12  VAL 109          HG12      VAL 109   2.727  -1.936   6.019
  663   HG13  VAL 109          HG13      VAL 109   3.349  -2.110   7.676
  664   HG21  VAL 109          HG21      VAL 109   6.461  -3.656   6.752
  665   HG22  VAL 109          HG22      VAL 109   4.980  -4.308   7.461
  666   HG23  VAL 109          HG23      VAL 109   5.635  -2.760   8.059
  667    H    ILE 110           H        ILE 110   4.768  -1.161   3.536
  668    HA   ILE 110           HA       ILE 110   7.653  -1.202   2.746
  669    HB   ILE 110           HB       ILE 110   5.319  -0.984   0.852
  670   HG12  ILE 110          HG12      ILE 110   6.797  -3.520   1.563
  671   HG13  ILE 110          HG13      ILE 110   5.075  -3.225   1.522
  672   HG21  ILE 110          HG21      ILE 110   8.254  -1.560   0.232
  673   HG22  ILE 110          HG22      ILE 110   7.506   0.049   0.133
  674   HG23  ILE 110          HG23      ILE 110   6.949  -1.219  -0.930
  675   HD11  ILE 110          HD11      ILE 110   5.536  -4.577  -0.314
  676   HD12  ILE 110          HD12      ILE 110   6.978  -3.659  -0.753
  677   HD13  ILE 110          HD13      ILE 110   5.334  -2.966  -1.010
  678    H    ASN 111           H        ASN 111   8.470   0.839   2.458
  679    HA   ASN 111           HA       ASN 111   6.717   3.211   2.865
  680    HB2  ASN 111           HB2      ASN 111   9.758   2.949   2.779
  681    HB3  ASN 111           HB3      ASN 111   8.857   4.411   3.166
  682   HD21  ASN 111          HD21      ASN 111  10.219   1.523   4.485
  683   HD22  ASN 111          HD22      ASN 111   9.505   1.703   6.094
  684    H    GLY 112           H        GLY 112   6.669   4.906   1.296
  685    HA2  GLY 112           HA2      GLY 112   7.724   4.241  -1.456
  686    HA3  GLY 112           HA3      GLY 112   6.092   4.812  -1.156
  687    HA   PRO 113           HA       PRO 113   9.176   8.219  -2.166
  688    HB2  PRO 113           HB2      PRO 113   8.441   8.962  -4.679
  689    HB3  PRO 113           HB3      PRO 113   9.323   7.442  -4.379
  690    HG2  PRO 113           HG2      PRO 113   6.305   7.791  -4.592
  691    HG3  PRO 113           HG3      PRO 113   7.350   6.701  -5.558
  692    HD2  PRO 113           HD2      PRO 113   6.087   5.806  -3.338
  693    HD3  PRO 113           HD3      PRO 113   7.770   5.302  -3.678
  694    H    GLY 114           H        GLY 114   6.493   8.418  -0.780
  695    HA2  GLY 114           HA2      GLY 114   6.030  11.340  -1.105
  696    HA3  GLY 114           HA3      GLY 114   5.188  10.238  -0.008
  697    H    LYS 115           H        LYS 115   5.857  12.065   1.474
  698    HA   LYS 115           HA       LYS 115   8.432  11.381   2.879
  699    HB2  LYS 115           HB2      LYS 115   8.563  13.298   1.340
  700    HB3  LYS 115           HB3      LYS 115   7.319  14.154   2.269
  701    HG2  LYS 115           HG2      LYS 115   8.901  14.128   4.235
  702    HG3  LYS 115           HG3      LYS 115  10.121  13.382   3.191
  703    HD2  LYS 115           HD2      LYS 115   8.804  16.103   2.780
  704    HD3  LYS 115           HD3      LYS 115  10.436  15.827   3.402
  705    HE2  LYS 115           HE2      LYS 115  11.126  14.844   1.242
  706    HE3  LYS 115           HE3      LYS 115   9.486  15.037   0.605
  707    HZ1  LYS 115           HZ1      LYS 115   9.722  17.442   0.818
  708    HZ2  LYS 115           HZ2      LYS 115  10.943  16.862  -0.096
  709    HZ3  LYS 115           HZ3      LYS 115  11.220  17.297   1.459
  710    H    THR 116           H        THR 116   5.072  12.105   3.118
  711    HA   THR 116           HA       THR 116   4.830  11.233   5.844
  712    HB   THR 116           HB       THR 116   5.500  13.552   6.319
  713    HG1  THR 116           HG1      THR 116   3.717  14.200   7.454
  714   HG21  THR 116          HG21      THR 116   3.219  14.381   4.491
  715   HG22  THR 116          HG22      THR 116   4.953  14.691   4.274
  716   HG23  THR 116          HG23      THR 116   4.085  15.447   5.622
  717    H    ASN 117           H        ASN 117   2.351  11.373   6.395
  718    HA   ASN 117           HA       ASN 117   0.677  11.237   3.930
  719    HB2  ASN 117           HB2      ASN 117   0.094  10.669   6.869
  720    HB3  ASN 117           HB3      ASN 117  -1.047  10.495   5.536
  721   HD21  ASN 117          HD21      ASN 117  -0.110   9.149   3.615
  722   HD22  ASN 117          HD22      ASN 117   0.835   7.727   4.079
  723    H    GLU 118           H        GLU 118   1.421  13.336   6.681
  724    HA   GLU 118           HA       GLU 118  -0.790  15.204   6.083
  725    HB2  GLU 118           HB2      GLU 118   1.357  15.223   8.225
  726    HB3  GLU 118           HB3      GLU 118   0.155  16.504   7.998
  727    HG2  GLU 118           HG2      GLU 118  -1.661  14.807   8.274
  728    HG3  GLU 118           HG3      GLU 118  -0.434  13.592   8.639
  729    H    TYR 119           H        TYR 119   0.002  15.468   3.885
  730    HA   TYR 119           HA       TYR 119   0.820  16.814   2.254
  731    HB2  TYR 119           HB2      TYR 119   0.540  19.321   3.658
  732    HB3  TYR 119           HB3      TYR 119  -0.428  18.590   2.405
  733    HD1  TYR 119           HD1      TYR 119   0.061  18.991   6.048
  734    HD2  TYR 119           HD2      TYR 119  -2.560  17.521   2.955
  735    HE1  TYR 119           HE1      TYR 119  -1.714  18.608   7.746
  736    HE2  TYR 119           HE2      TYR 119  -4.356  17.171   4.657
  737    HH   TYR 119           HH       TYR 119  -3.770  17.785   8.152
  738    H    ALA 120           H        ALA 120   2.959  15.856   2.398
  739    HA   ALA 120           HA       ALA 120   5.186  15.869   2.423
  740    HB1  ALA 120           HB1      ALA 120   4.377  16.799   0.315
  741    HB2  ALA 120           HB2      ALA 120   5.984  17.406   0.709
  742    HB3  ALA 120           HB3      ALA 120   4.562  18.450   0.959
  743    H    TYR 121           H        TYR 121   4.438  17.239   4.947
  744    HA   TYR 121           HA       TYR 121   7.143  18.311   5.533
  745    HB2  TYR 121           HB2      TYR 121   5.778  20.233   4.802
  746    HB3  TYR 121           HB3      TYR 121   4.622  19.897   6.067
  747    HD1  TYR 121           HD1      TYR 121   8.082  21.035   5.333
  748    HD2  TYR 121           HD2      TYR 121   5.063  20.505   8.366
  749    HE1  TYR 121           HE1      TYR 121   9.425  22.418   6.918
  750    HE2  TYR 121           HE2      TYR 121   6.398  21.878   9.927
  751    HH   TYR 121           HH       TYR 121   8.322  23.002  10.282
  752    H1   ACE   6           H1       ACE   6  10.313  -2.099 -12.672
  753    H2   ACE   6           H2       ACE   6  10.234  -0.867 -11.397
  754    H3   ACE   6           H3       ACE   6  10.977  -0.478 -12.957
  755    H    THR   7           H        THR   7  12.572   0.186 -11.106
  756    HA   THR   7           HA       THR   7  14.537  -1.959 -10.575
  757    HB   THR   7           HB       THR   7  14.703  -1.367 -13.000
  758    HG1  THR   7           HG1      THR   7  16.858  -0.670 -11.343
  759   HG21  THR   7          HG21      THR   7  14.169   1.058 -12.875
  760   HG22  THR   7          HG22      THR   7  15.704   0.746 -13.695
  761   HG23  THR   7          HG23      THR   7  15.703   1.350 -12.027
  762    H    THR   8           H        THR   8  13.190   0.508  -9.205
  763    HA   THR   8           HA       THR   8  15.705   1.578  -7.949
  764    HB   THR   8           HB       THR   8  13.267   3.089  -8.880
  765    HG1  THR   8           HG1      THR   8  14.755   4.155 -10.042
  766   HG21  THR   8          HG21      THR   8  15.496   4.042  -7.050
  767   HG22  THR   8          HG22      THR   8  13.749   4.039  -6.716
  768   HG23  THR   8          HG23      THR   8  14.400   5.118  -7.952
  769    HA   PRO   9           HA       PRO   9  12.469   2.193  -4.493
  770    HB2  PRO   9           HB2      PRO   9  10.598  -0.110  -4.928
  771    HB3  PRO   9           HB3      PRO   9  10.295   1.526  -4.281
  772    HG2  PRO   9           HG2      PRO   9   9.600   0.946  -6.823
  773    HG3  PRO   9           HG3      PRO   9  10.340   2.517  -6.403
  774    HD2  PRO   9           HD2      PRO   9  11.673   0.105  -7.623
  775    HD3  PRO   9           HD3      PRO   9  11.848   1.830  -8.018
  776    H    ASP  10           H        ASP  10  11.775   0.957  -2.398
  777    HA   ASP  10           HA       ASP  10  14.145  -0.222  -1.427
  778    HB2  ASP  10           HB2      ASP  10  11.375  -0.052  -0.224
  779    HB3  ASP  10           HB3      ASP  10  12.760  -0.672   0.667
  780    H2   TYS  11           H2       TYS  11  11.225  -1.638  -1.939
  781    HA   TYS  11           HA       TYS  11  10.313  -3.749  -2.110
  782    HB2  TYS  11           HB2      TYS  11  13.125  -4.669  -2.738
  783    HB3  TYS  11           HB3      TYS  11  11.703  -5.710  -2.750
  784    HD1  TYS  11           HD1      TYS  11   9.634  -5.000  -3.966
  785    HD2  TYS  11           HD2      TYS  11  13.419  -3.029  -4.569
  786    HE1  TYS  11           HE1      TYS  11   8.669  -3.664  -5.741
  787    HE2  TYS  11           HE2      TYS  11  12.389  -1.653  -6.328
  788    H    GLY  12           H        GLY  12   9.882  -2.983  -0.326
  789    HA2  GLY  12           HA2      GLY  12   8.882  -3.226   1.626
  790    HA3  GLY  12           HA3      GLY  12   8.741  -4.864   1.043
  791    H    HIS  13           H        HIS  13   8.423  -4.473   3.711
  792    HA   HIS  13           HA       HIS  13  10.505  -6.301   4.658
  793    HB2  HIS  13           HB2      HIS  13  10.755  -5.229   6.806
  794    HB3  HIS  13           HB3      HIS  13  11.444  -4.235   5.521
  795    HD1  HIS  13           HD1      HIS  13  10.009  -2.041   4.782
  796    HD2  HIS  13           HD2      HIS  13   8.665  -4.069   8.252
  797    HE1  HIS  13           HE1      HIS  13   8.044  -0.651   5.776
  798    HE2  HIS  13           HE2      HIS  13   7.582  -1.666   8.113
  799    H2   TYS  14           H2       TYS  14   9.832  -7.613   6.350
  800    HA   TYS  14           HA       TYS  14   6.911  -7.642   6.871
  801    HB2  TYS  14           HB2      TYS  14   9.135  -9.636   7.411
  802    HB3  TYS  14           HB3      TYS  14   7.549  -9.786   8.114
  803    HD1  TYS  14           HD1      TYS  14   9.143  -9.471   4.621
  804    HD2  TYS  14           HD2      TYS  14   5.786 -10.829   7.006
  805    HE1  TYS  14           HE1      TYS  14   8.555 -11.002   2.915
  806    HE2  TYS  14           HE2      TYS  14   5.148 -12.334   5.206
  807    H    ASP  15           H        ASP  15   5.954  -7.670   8.775
  808    HA   ASP  15           HA       ASP  15   7.413  -6.288  10.992
  809    HB2  ASP  15           HB2      ASP  15   6.158  -4.502  10.862
  810    HB3  ASP  15           HB3      ASP  15   5.999  -4.930   9.202
  811    H    ASP  16           H        ASP  16   6.278  -6.156  13.002
  812    HA   ASP  16           HA       ASP  16   4.008  -7.980  13.444
  813    HB2  ASP  16           HB2      ASP  16   6.650  -8.235  14.896
  814    HB3  ASP  16           HB3      ASP  16   5.162  -8.840  15.595
  815    H    LYS  17           H        LYS  17   4.707  -5.029  13.465
  816    HA   LYS  17           HA       LYS  17   3.042  -4.091  15.556
  817    HB2  LYS  17           HB2      LYS  17   4.653  -2.876  16.982
  818    HB3  LYS  17           HB3      LYS  17   4.802  -4.620  17.132
  819    HG2  LYS  17           HG2      LYS  17   6.795  -4.594  15.652
  820    HG3  LYS  17           HG3      LYS  17   6.647  -2.824  15.502
  821    HD2  LYS  17           HD2      LYS  17   6.826  -2.751  18.041
  822    HD3  LYS  17           HD3      LYS  17   7.260  -4.472  17.985
  823    HE2  LYS  17           HE2      LYS  17   9.166  -3.920  16.467
  824    HE3  LYS  17           HE3      LYS  17   8.715  -2.217  16.523
  825    HZ1  LYS  17           HZ1      LYS  17  10.473  -2.649  18.062
  826    HZ2  LYS  17           HZ2      LYS  17   9.119  -2.289  18.951
  827    HZ3  LYS  17           HZ3      LYS  17   9.661  -3.844  18.822
  828    H    ASP  18           H        ASP  18   5.446  -3.321  13.097
  829    HA   ASP  18           HA       ASP  18   4.971  -0.536  12.865
  830    HB2  ASP  18           HB2      ASP  18   6.710  -2.077  11.734
  831    HB3  ASP  18           HB3      ASP  18   5.434  -2.461  10.573
  832    H    THR  19           H        THR  19   3.047  -3.208  11.965
  833    HA   THR  19           HA       THR  19   1.450  -2.760  10.002
  834    HB   THR  19           HB       THR  19   1.414  -4.751  11.382
  835    HG1  THR  19           HG1      THR  19  -0.072  -4.657  10.089
  836   HG21  THR  19          HG21      THR  19  -0.316  -3.330  13.404
  837   HG22  THR  19          HG22      THR  19   1.410  -3.710  13.648
  838   HG23  THR  19          HG23      THR  19   0.275  -5.024  13.411
  839    H    LEU  20           H        LEU  20  -0.732  -2.456   9.546
  840    HA   LEU  20           HA       LEU  20  -2.236  -0.349  10.980
  841    HB2  LEU  20           HB2      LEU  20  -1.864   0.291   8.621
  842    HB3  LEU  20           HB3      LEU  20  -2.325  -1.337   8.102
  843    HG   LEU  20           HG       LEU  20  -4.591  -0.991   8.743
  844   HD11  LEU  20          HD11      LEU  20  -5.439   1.235   9.453
  845   HD12  LEU  20          HD12      LEU  20  -3.765   1.797   9.667
  846   HD13  LEU  20          HD13      LEU  20  -4.418   0.501  10.692
  847   HD21  LEU  20          HD21      LEU  20  -3.467  -0.095   6.613
  848   HD22  LEU  20          HD22      LEU  20  -3.748   1.519   7.259
  849   HD23  LEU  20          HD23      LEU  20  -5.129   0.426   6.944
  850    H    ASP  21           H        ASP  21  -3.800  -1.176  12.114
  851    HA   ASP  21           HA       ASP  21  -4.831  -3.902  11.829
  852    HB2  ASP  21           HB2      ASP  21  -5.920  -3.359  13.991
  853    HB3  ASP  21           HB3      ASP  21  -4.169  -3.183  14.036
  854    H    LEU  22           H        LEU  22  -6.419  -4.212  10.500
  855    HA   LEU  22           HA       LEU  22  -8.496  -2.237   9.769
  856    HB2  LEU  22           HB2      LEU  22  -7.375  -4.813   8.742
  857    HB3  LEU  22           HB3      LEU  22  -9.109  -4.571   8.492
  858    HG   LEU  22           HG       LEU  22  -8.662  -2.548   7.200
  859   HD11  LEU  22          HD11      LEU  22  -6.676  -1.652   8.275
  860   HD12  LEU  22          HD12      LEU  22  -6.293  -2.013   6.585
  861   HD13  LEU  22          HD13      LEU  22  -5.736  -3.113   7.874
  862   HD21  LEU  22          HD21      LEU  22  -7.440  -3.623   5.340
  863   HD22  LEU  22          HD22      LEU  22  -8.544  -4.780   6.117
  864   HD23  LEU  22          HD23      LEU  22  -6.789  -4.843   6.457
  865    H    ASN  23           H        ASN  23  -8.059  -4.850  12.051
  866    HA   ASN  23           HA       ASN  23 -10.851  -5.520  12.351
  867    HB2  ASN  23           HB2      ASN  23 -10.077  -7.008  14.070
  868    HB3  ASN  23           HB3      ASN  23  -8.970  -7.139  12.729
  869   HD21  ASN  23          HD21      ASN  23  -6.817  -6.992  13.231
  870   HD22  ASN  23          HD22      ASN  23  -6.218  -6.400  14.780
  871    H    THR  24           H        THR  24 -11.585  -5.540  14.590
  872    HA   THR  24           HA       THR  24 -11.190  -3.289  16.322
  873    HB   THR  24           HB       THR  24 -12.240  -1.723  15.229
  874    HG1  THR  24           HG1      THR  24 -13.802  -1.749  16.611
  875   HG21  THR  24          HG21      THR  24 -13.746  -3.715  13.510
  876   HG22  THR  24          HG22      THR  24 -13.971  -1.958  13.456
  877   HG23  THR  24          HG23      THR  24 -12.404  -2.657  13.057
  878    HA   PRO  25           HA       PRO  25 -14.734  -5.742  18.246
  879    HB2  PRO  25           HB2      PRO  25 -15.760  -8.007  17.108
  880    HB3  PRO  25           HB3      PRO  25 -16.350  -6.366  16.700
  881    HG2  PRO  25           HG2      PRO  25 -14.277  -8.013  15.202
  882    HG3  PRO  25           HG3      PRO  25 -15.718  -7.182  14.534
  883    HD2  PRO  25           HD2      PRO  25 -13.345  -6.022  14.404
  884    HD3  PRO  25           HD3      PRO  25 -14.795  -5.063  14.829
  885    H    VAL  26           H        VAL  26 -14.395  -7.229  19.845
  886    HA   VAL  26           HA       VAL  26 -12.700  -9.601  19.373
  887    HB   VAL  26           HB       VAL  26 -11.157  -7.823  20.100
  888   HG11  VAL  26          HG11      VAL  26 -11.130  -6.953  22.357
  889   HG12  VAL  26          HG12      VAL  26 -12.610  -7.827  22.775
  890   HG13  VAL  26          HG13      VAL  26 -12.652  -6.502  21.585
  891   HG21  VAL  26          HG21      VAL  26 -11.513 -10.028  22.153
  892   HG22  VAL  26          HG22      VAL  26 -10.036  -9.095  21.846
  893   HG23  VAL  26          HG23      VAL  26 -10.670 -10.168  20.593
  894    H    ASP  27           H        ASP  27 -13.354 -11.352  20.474
  895    HA   ASP  27           HA       ASP  27 -16.068 -11.405  21.268
  896    HB2  ASP  27           HB2      ASP  27 -13.814 -13.440  21.514
  897    HB3  ASP  27           HB3      ASP  27 -15.480 -13.802  21.960
  898    H    LYS  28           H        LYS  28 -13.224 -11.129  23.247
  899    HA   LYS  28           HA       LYS  28 -14.832 -10.755  25.709
  900    HB2  LYS  28           HB2      LYS  28 -12.479 -12.665  25.390
  901    HB3  LYS  28           HB3      LYS  28 -13.005 -12.030  26.953
  902    HG2  LYS  28           HG2      LYS  28 -15.261 -12.995  26.618
  903    HG3  LYS  28           HG3      LYS  28 -14.740 -13.687  25.068
  904    HD2  LYS  28           HD2      LYS  28 -13.061 -15.064  26.186
  905    HD3  LYS  28           HD3      LYS  28 -13.434 -14.313  27.752
  906    HE2  LYS  28           HE2      LYS  28 -15.728 -15.206  27.662
  907    HE3  LYS  28           HE3      LYS  28 -15.413 -15.913  26.069
  908    HZ1  LYS  28           HZ1      LYS  28 -15.155 -17.534  27.887
  909    HZ2  LYS  28           HZ2      LYS  28 -13.906 -16.658  28.524
  910    HZ3  LYS  28           HZ3      LYS  28 -13.764 -17.342  27.044
  911    HN1  NH2  29           HN1      NH2  29 -12.733  -8.134  26.597
  912    HN2  NH2  29           HN2      NH2  29 -14.161  -9.088  26.939
  Start of MODEL   21
    1    H1   ASN  31           H1       ASN  31   6.841   8.580 -21.725
    2    H2   ASN  31           H2       ASN  31   6.533   9.784 -22.795
    3    H3   ASN  31           H3       ASN  31   7.924   8.907 -22.924
    4    HA   ASN  31           HA       ASN  31   6.397   8.259 -24.611
    5    HB2  ASN  31           HB2      ASN  31   6.642   6.074 -22.507
    6    HB3  ASN  31           HB3      ASN  31   6.298   5.845 -24.218
    7   HD21  ASN  31          HD21      ASN  31   8.491   4.557 -23.081
    8   HD22  ASN  31          HD22      ASN  31   9.967   5.343 -23.653
    9    H    SER  32           H        SER  32   4.917   7.715 -21.358
   10    HA   SER  32           HA       SER  32   2.343   8.542 -22.478
   11    HB2  SER  32           HB2      SER  32   2.546   6.054 -22.957
   12    HB3  SER  32           HB3      SER  32   2.538   5.790 -21.205
   13    HG   SER  32           HG       SER  32   0.528   7.199 -22.676
   14    H    GLY  33           H        GLY  33   4.439   8.186 -19.719
   15    HA2  GLY  33           HA2      GLY  33   3.604  10.263 -18.397
   16    HA3  GLY  33           HA3      GLY  33   2.299   9.198 -17.906
   17    H    LEU  34           H        LEU  34   3.083   9.964 -15.898
   18    HA   LEU  34           HA       LEU  34   4.769   7.937 -14.545
   19    HB2  LEU  34           HB2      LEU  34   4.775  10.961 -14.132
   20    HB3  LEU  34           HB3      LEU  34   5.356   9.847 -12.904
   21    HG   LEU  34           HG       LEU  34   6.526   9.970 -15.717
   22   HD11  LEU  34          HD11      LEU  34   8.400  11.187 -14.685
   23   HD12  LEU  34          HD12      LEU  34   7.521  11.247 -13.139
   24   HD13  LEU  34          HD13      LEU  34   6.888  12.096 -14.569
   25   HD21  LEU  34          HD21      LEU  34   6.955   7.825 -14.574
   26   HD22  LEU  34          HD22      LEU  34   7.505   8.689 -13.121
   27   HD23  LEU  34          HD23      LEU  34   8.428   8.793 -14.629
   28    HA   PRO  35           HA       PRO  35   1.046   7.290 -12.642
   29    HB2  PRO  35           HB2      PRO  35   1.538   6.137 -10.234
   30    HB3  PRO  35           HB3      PRO  35   1.963   5.375 -11.796
   31    HG2  PRO  35           HG2      PRO  35   3.811   6.972  -9.989
   32    HG3  PRO  35           HG3      PRO  35   4.114   5.382 -10.757
   33    HD2  PRO  35           HD2      PRO  35   5.019   7.703 -11.865
   34    HD3  PRO  35           HD3      PRO  35   4.413   6.364 -12.886
   35    H    THR  36           H        THR  36  -0.432   8.591 -12.012
   36    HA   THR  36           HA       THR  36  -0.506   9.427  -9.184
   37    HB   THR  36           HB       THR  36   0.203  11.436 -10.385
   38    HG1  THR  36           HG1      THR  36  -1.902  12.606  -9.710
   39   HG21  THR  36          HG21      THR  36  -0.970  11.113 -12.562
   40   HG22  THR  36          HG22      THR  36  -1.305  12.686 -11.829
   41   HG23  THR  36          HG23      THR  36  -2.526  11.398 -11.748
   42    H    THR  37           H        THR  37  -1.550   7.205 -10.827
   43    HA   THR  37           HA       THR  37  -4.357   7.490  -9.953
   44    HB   THR  37           HB       THR  37  -5.218   6.272 -11.916
   45    HG1  THR  37           HG1      THR  37  -2.718   6.937 -13.063
   46   HG21  THR  37          HG21      THR  37  -5.488   8.708 -11.877
   47   HG22  THR  37          HG22      THR  37  -5.245   8.105 -13.520
   48   HG23  THR  37          HG23      THR  37  -3.913   8.919 -12.670
   49    H    LEU  38           H        LEU  38  -5.339   5.649  -9.212
   50    HA   LEU  38           HA       LEU  38  -3.557   3.989  -7.870
   51    HB2  LEU  38           HB2      LEU  38  -5.816   4.807  -7.144
   52    HB3  LEU  38           HB3      LEU  38  -6.522   3.755  -8.362
   53    HG   LEU  38           HG       LEU  38  -5.650   1.815  -7.279
   54   HD11  LEU  38          HD11      LEU  38  -4.792   3.667  -5.021
   55   HD12  LEU  38          HD12      LEU  38  -3.715   2.681  -6.045
   56   HD13  LEU  38          HD13      LEU  38  -4.842   1.890  -4.943
   57   HD21  LEU  38          HD21      LEU  38  -7.927   2.609  -6.791
   58   HD22  LEU  38          HD22      LEU  38  -7.308   3.580  -5.443
   59   HD23  LEU  38          HD23      LEU  38  -7.232   1.804  -5.374
   60    H    GLY  39           H        GLY  39  -5.482   3.140 -10.842
   61    HA2  GLY  39           HA2      GLY  39  -4.915   0.432 -10.965
   62    HA3  GLY  39           HA3      GLY  39  -5.024   1.481 -12.394
   63    H    LYS  40           H        LYS  40  -2.753   3.030 -12.084
   64    HA   LYS  40           HA       LYS  40  -0.653   1.261 -13.041
   65    HB2  LYS  40           HB2      LYS  40  -0.530   4.187 -12.200
   66    HB3  LYS  40           HB3      LYS  40   0.674   3.330 -13.160
   67    HG2  LYS  40           HG2      LYS  40  -2.197   3.934 -14.018
   68    HG3  LYS  40           HG3      LYS  40  -0.753   4.795 -14.534
   69    HD2  LYS  40           HD2      LYS  40   0.112   2.734 -15.600
   70    HD3  LYS  40           HD3      LYS  40  -1.350   1.862 -15.142
   71    HE2  LYS  40           HE2      LYS  40  -1.305   4.336 -16.936
   72    HE3  LYS  40           HE3      LYS  40  -1.273   2.666 -17.524
   73    HZ1  LYS  40           HZ1      LYS  40  -3.488   3.937 -16.019
   74    HZ2  LYS  40           HZ2      LYS  40  -3.421   2.342 -16.322
   75    HZ3  LYS  40           HZ3      LYS  40  -3.535   3.421 -17.570
   76    H    LEU  41           H        LEU  41  -1.299   2.884  -9.935
   77    HA   LEU  41           HA       LEU  41   1.138   2.056  -8.661
   78    HB2  LEU  41           HB2      LEU  41  -0.573   3.871  -7.926
   79    HB3  LEU  41           HB3      LEU  41  -1.515   2.531  -7.272
   80    HG   LEU  41           HG       LEU  41   0.775   1.872  -6.082
   81   HD11  LEU  41          HD11      LEU  41   1.157   4.860  -6.577
   82   HD12  LEU  41          HD12      LEU  41   2.176   3.557  -7.235
   83   HD13  LEU  41          HD13      LEU  41   2.117   3.844  -5.495
   84   HD21  LEU  41          HD21      LEU  41   0.203   3.166  -4.159
   85   HD22  LEU  41          HD22      LEU  41  -1.280   2.575  -4.924
   86   HD23  LEU  41          HD23      LEU  41  -0.800   4.281  -5.133
   87    H    ASP  42           H        ASP  42  -2.112   0.502  -8.775
   88    HA   ASP  42           HA       ASP  42  -1.496  -1.784  -7.166
   89    HB2  ASP  42           HB2      ASP  42  -3.776  -1.203  -7.711
   90    HB3  ASP  42           HB3      ASP  42  -3.449  -1.222  -9.437
   91    H    GLU  43           H        GLU  43  -0.857  -1.182 -10.583
   92    HA   GLU  43           HA       GLU  43   0.023  -3.860 -11.223
   93    HB2  GLU  43           HB2      GLU  43  -0.808  -1.948 -12.751
   94    HB3  GLU  43           HB3      GLU  43   0.809  -1.267 -12.629
   95    HG2  GLU  43           HG2      GLU  43   1.780  -3.174 -13.706
   96    HG3  GLU  43           HG3      GLU  43   0.307  -4.131 -13.511
   97    H    ARG  44           H        ARG  44   1.675  -0.873 -10.191
   98    HA   ARG  44           HA       ARG  44   4.352  -1.961 -10.084
   99    HB2  ARG  44           HB2      ARG  44   3.816   0.442 -10.176
  100    HB3  ARG  44           HB3      ARG  44   3.117   0.373  -8.560
  101    HG2  ARG  44           HG2      ARG  44   5.156   0.063  -7.511
  102    HG3  ARG  44           HG3      ARG  44   5.894  -0.719  -8.914
  103    HD2  ARG  44           HD2      ARG  44   5.178   2.218  -8.959
  104    HD3  ARG  44           HD3      ARG  44   6.698   1.629  -8.262
  105    HE   ARG  44           HE       ARG  44   6.847   0.411 -10.633
  106   HH11  ARG  44          HH11      ARG  44   6.250   3.847  -9.924
  107   HH12  ARG  44          HH12      ARG  44   6.737   4.290 -11.570
  108   HH21  ARG  44          HH21      ARG  44   7.675   1.195 -12.567
  109   HH22  ARG  44          HH22      ARG  44   7.670   2.911 -12.864
  110    H    LEU  45           H        LEU  45   1.894  -1.560  -7.463
  111    HA   LEU  45           HA       LEU  45   3.561  -2.724  -5.467
  112    HB2  LEU  45           HB2      LEU  45   0.563  -2.236  -5.701
  113    HB3  LEU  45           HB3      LEU  45   1.272  -2.936  -4.250
  114    HG   LEU  45           HG       LEU  45   2.118  -0.231  -5.388
  115   HD11  LEU  45          HD11      LEU  45   0.197  -0.964  -3.148
  116   HD12  LEU  45          HD12      LEU  45  -0.193  -0.133  -4.667
  117   HD13  LEU  45          HD13      LEU  45   0.833   0.667  -3.458
  118   HD21  LEU  45          HD21      LEU  45   2.772  -1.734  -2.821
  119   HD22  LEU  45          HD22      LEU  45   3.028   0.000  -3.015
  120   HD23  LEU  45          HD23      LEU  45   3.903  -1.123  -4.053
  121    H    ARG  46           H        ARG  46   1.212  -4.381  -7.620
  122    HA   ARG  46           HA       ARG  46   1.479  -6.961  -6.282
  123    HB2  ARG  46           HB2      ARG  46   0.750  -6.182  -9.136
  124    HB3  ARG  46           HB3      ARG  46   0.786  -7.861  -8.563
  125    HG2  ARG  46           HG2      ARG  46  -0.890  -7.388  -6.851
  126    HG3  ARG  46           HG3      ARG  46  -0.881  -5.671  -7.256
  127    HD2  ARG  46           HD2      ARG  46  -1.603  -6.381  -9.623
  128    HD3  ARG  46           HD3      ARG  46  -1.938  -7.974  -8.932
  129    HE   ARG  46           HE       ARG  46  -3.210  -5.356  -8.158
  130   HH11  ARG  46          HH11      ARG  46  -3.645  -8.872  -8.199
  131   HH12  ARG  46          HH12      ARG  46  -5.337  -8.663  -7.743
  132   HH21  ARG  46          HH21      ARG  46  -5.043  -5.272  -7.314
  133   HH22  ARG  46          HH22      ARG  46  -5.992  -6.728  -6.904
  134    H    ASN  47           H        ASN  47   3.502  -5.188  -8.555
  135    HA   ASN  47           HA       ASN  47   5.378  -7.452  -8.818
  136    HB2  ASN  47           HB2      ASN  47   5.321  -4.608  -9.859
  137    HB3  ASN  47           HB3      ASN  47   6.792  -5.573  -9.899
  138   HD21  ASN  47          HD21      ASN  47   3.697  -5.078 -11.442
  139   HD22  ASN  47          HD22      ASN  47   3.855  -6.475 -12.520
  140    H    TYR  48           H        TYR  48   5.304  -4.462  -6.766
  141    HA   TYR  48           HA       TYR  48   7.732  -5.186  -5.475
  142    HB2  TYR  48           HB2      TYR  48   5.497  -3.458  -4.443
  143    HB3  TYR  48           HB3      TYR  48   6.956  -3.816  -3.644
  144    HD1  TYR  48           HD1      TYR  48   6.841  -2.830  -7.285
  145    HD2  TYR  48           HD2      TYR  48   7.891  -1.779  -3.248
  146    HE1  TYR  48           HE1      TYR  48   7.954  -0.778  -8.092
  147    HE2  TYR  48           HE2      TYR  48   8.946   0.311  -4.053
  148    HH   TYR  48           HH       TYR  48   9.381   1.658  -5.905
  149    H    LEU  49           H        LEU  49   4.469  -6.374  -4.834
  150    HA   LEU  49           HA       LEU  49   5.187  -7.693  -2.433
  151    HB2  LEU  49           HB2      LEU  49   2.918  -7.594  -4.174
  152    HB3  LEU  49           HB3      LEU  49   3.340  -9.295  -4.103
  153    HG   LEU  49           HG       LEU  49   2.832  -7.466  -1.739
  154   HD11  LEU  49          HD11      LEU  49   0.806  -8.852  -1.409
  155   HD12  LEU  49          HD12      LEU  49   1.187  -9.759  -2.889
  156   HD13  LEU  49          HD13      LEU  49   0.785  -8.028  -2.984
  157   HD21  LEU  49          HD21      LEU  49   2.842  -9.471  -0.333
  158   HD22  LEU  49          HD22      LEU  49   4.391  -9.157  -1.091
  159   HD23  LEU  49          HD23      LEU  49   3.364 -10.450  -1.735
  160    H    LYS  50           H        LYS  50   5.425  -9.015  -5.757
  161    HA   LYS  50           HA       LYS  50   6.572 -11.531  -5.000
  162    HB2  LYS  50           HB2      LYS  50   6.933  -9.917  -7.563
  163    HB3  LYS  50           HB3      LYS  50   7.388 -11.613  -7.315
  164    HG2  LYS  50           HG2      LYS  50   5.114 -12.294  -6.988
  165    HG3  LYS  50           HG3      LYS  50   4.522 -10.633  -7.028
  166    HD2  LYS  50           HD2      LYS  50   5.943 -11.926  -9.396
  167    HD3  LYS  50           HD3      LYS  50   4.193 -12.002  -9.153
  168    HE2  LYS  50           HE2      LYS  50   4.066  -9.536  -9.111
  169    HE3  LYS  50           HE3      LYS  50   5.815  -9.438  -9.393
  170    HZ1  LYS  50           HZ1      LYS  50   4.561  -9.169 -11.430
  171    HZ2  LYS  50           HZ2      LYS  50   3.860 -10.658 -11.276
  172    HZ3  LYS  50           HZ3      LYS  50   5.485 -10.505 -11.539
  173    H    LYS  51           H        LYS  51   8.188  -8.499  -5.928
  174    HA   LYS  51           HA       LYS  51  10.900  -9.486  -5.504
  175    HB2  LYS  51           HB2      LYS  51   9.552  -6.891  -6.148
  176    HB3  LYS  51           HB3      LYS  51  11.252  -6.870  -5.612
  177    HG2  LYS  51           HG2      LYS  51  11.892  -8.339  -7.397
  178    HG3  LYS  51           HG3      LYS  51  10.209  -8.450  -7.973
  179    HD2  LYS  51           HD2      LYS  51  10.168  -6.205  -8.687
  180    HD3  LYS  51           HD3      LYS  51  11.544  -5.739  -7.647
  181    HE2  LYS  51           HE2      LYS  51  13.122  -6.827  -8.950
  182    HE3  LYS  51           HE3      LYS  51  11.907  -7.806  -9.795
  183    HZ1  LYS  51           HZ1      LYS  51  11.134  -5.811 -10.903
  184    HZ2  LYS  51           HZ2      LYS  51  12.708  -6.094 -11.235
  185    HZ3  LYS  51           HZ3      LYS  51  12.296  -4.889 -10.181
  186    H    GLY  52           H        GLY  52   8.595  -8.091  -3.263
  187    HA2  GLY  52           HA2      GLY  52  10.768  -7.261  -1.416
  188    HA3  GLY  52           HA3      GLY  52   9.109  -6.736  -1.437
  189    H    THR  53           H        THR  53   8.555  -9.920  -1.734
  190    HA   THR  53           HA       THR  53   8.886 -10.574   1.146
  191    HB   THR  53           HB       THR  53   6.989 -12.071   0.846
  192    HG1  THR  53           HG1      THR  53   6.646 -10.935  -1.747
  193   HG21  THR  53          HG21      THR  53   5.208 -10.522   0.500
  194   HG22  THR  53          HG22      THR  53   6.340  -9.343  -0.241
  195   HG23  THR  53          HG23      THR  53   6.475  -9.777   1.462
  196    H    LYS  54           H        LYS  54   8.598 -13.034   1.539
  197    HA   LYS  54           HA       LYS  54  10.850 -14.416   0.216
  198    HB2  LYS  54           HB2      LYS  54   9.061 -15.448   2.452
  199    HB3  LYS  54           HB3      LYS  54  10.604 -16.101   1.936
  200    HG2  LYS  54           HG2      LYS  54  10.169 -13.391   3.284
  201    HG3  LYS  54           HG3      LYS  54  10.747 -14.853   4.067
  202    HD2  LYS  54           HD2      LYS  54  12.784 -14.862   2.737
  203    HD3  LYS  54           HD3      LYS  54  12.217 -13.487   1.769
  204    HE2  LYS  54           HE2      LYS  54  12.213 -12.020   3.700
  205    HE3  LYS  54           HE3      LYS  54  12.620 -13.366   4.784
  206    HZ1  LYS  54           HZ1      LYS  54  14.550 -11.982   4.150
  207    HZ2  LYS  54           HZ2      LYS  54  14.748 -13.557   3.727
  208    HZ3  LYS  54           HZ3      LYS  54  14.379 -12.420   2.585
  209    H    ASN  55           H        ASN  55   7.354 -14.744   0.717
  210    HA   ASN  55           HA       ASN  55   7.045 -15.807  -2.003
  211    HB2  ASN  55           HB2      ASN  55   5.036 -17.112  -0.631
  212    HB3  ASN  55           HB3      ASN  55   6.521 -17.886  -1.214
  213   HD21  ASN  55          HD21      ASN  55   4.388 -17.803   1.121
  214   HD22  ASN  55          HD22      ASN  55   5.405 -18.245   2.489
  215    H    SER  56           H        SER  56   4.920 -15.440  -2.831
  216    HA   SER  56           HA       SER  56   3.469 -13.176  -1.505
  217    HB2  SER  56           HB2      SER  56   4.819 -12.259  -3.215
  218    HB3  SER  56           HB3      SER  56   4.323 -13.478  -4.384
  219    HG   SER  56           HG       SER  56   2.100 -12.375  -3.556
  220    H    ALA  57           H        ALA  57   2.988 -16.340  -2.698
  221    HA   ALA  57           HA       ALA  57   0.411 -16.083  -3.908
  222    HB1  ALA  57           HB1      ALA  57   0.386 -18.555  -3.625
  223    HB2  ALA  57           HB2      ALA  57   1.781 -18.428  -2.525
  224    HB3  ALA  57           HB3      ALA  57   1.951 -17.988  -4.242
  225    H    GLN  58           H        GLN  58   1.269 -16.210  -0.545
  226    HA   GLN  58           HA       GLN  58  -1.254 -17.257   0.423
  227    HB2  GLN  58           HB2      GLN  58  -0.202 -17.143   2.581
  228    HB3  GLN  58           HB3      GLN  58   0.921 -17.870   1.444
  229    HG2  GLN  58           HG2      GLN  58   1.102 -14.926   2.185
  230    HG3  GLN  58           HG3      GLN  58   1.811 -16.186   3.182
  231   HE21  GLN  58          HE21      GLN  58   3.930 -15.104   2.813
  232   HE22  GLN  58          HE22      GLN  58   4.604 -15.019   1.233
  233    H    PHE  59           H        PHE  59  -0.322 -14.177  -0.537
  234    HA   PHE  59           HA       PHE  59  -1.704 -12.599   1.482
  235    HB2  PHE  59           HB2      PHE  59  -0.339 -11.913  -1.096
  236    HB3  PHE  59           HB3      PHE  59  -1.253 -10.739  -0.155
  237    HD1  PHE  59           HD1      PHE  59  -0.610 -10.164   2.185
  238    HD2  PHE  59           HD2      PHE  59   1.834 -12.751  -0.220
  239    HE1  PHE  59           HE1      PHE  59   1.247  -9.904   3.803
  240    HE2  PHE  59           HE2      PHE  59   3.726 -12.438   1.363
  241    HZ   PHE  59           HZ       PHE  59   3.438 -11.006   3.365
  242    H    GLU  60           H        GLU  60  -3.534 -11.227   1.140
  243    HA   GLU  60           HA       GLU  60  -5.629 -12.449  -0.650
  244    HB2  GLU  60           HB2      GLU  60  -5.903 -13.192   1.629
  245    HB3  GLU  60           HB3      GLU  60  -5.758 -11.545   2.258
  246    HG2  GLU  60           HG2      GLU  60  -7.845 -10.920   1.086
  247    HG3  GLU  60           HG3      GLU  60  -7.991 -12.562   0.458
  248    H    LYS  61           H        LYS  61  -4.528  -9.502   1.048
  249    HA   LYS  61           HA       LYS  61  -5.608  -7.808  -1.066
  250    HB2  LYS  61           HB2      LYS  61  -7.154  -6.540   0.238
  251    HB3  LYS  61           HB3      LYS  61  -7.566  -8.232   0.447
  252    HG2  LYS  61           HG2      LYS  61  -6.264  -8.174   2.652
  253    HG3  LYS  61           HG3      LYS  61  -6.127  -6.410   2.450
  254    HD2  LYS  61           HD2      LYS  61  -8.502  -6.123   2.541
  255    HD3  LYS  61           HD3      LYS  61  -8.753  -7.850   2.283
  256    HE2  LYS  61           HE2      LYS  61  -7.702  -8.322   4.520
  257    HE3  LYS  61           HE3      LYS  61  -7.584  -6.582   4.769
  258    HZ1  LYS  61           HZ1      LYS  61 -10.086  -8.132   4.405
  259    HZ2  LYS  61           HZ2      LYS  61 -10.044  -6.485   4.537
  260    HZ3  LYS  61           HZ3      LYS  61  -9.626  -7.421   5.805
  261    H    MET  62           H        MET  62  -5.419  -5.510  -0.409
  262    HA   MET  62           HA       MET  62  -3.142  -4.854   1.307
  263    HB2  MET  62           HB2      MET  62  -1.770  -3.801  -0.352
  264    HB3  MET  62           HB3      MET  62  -2.066  -5.471  -0.819
  265    HG2  MET  62           HG2      MET  62  -3.735  -4.748  -2.472
  266    HG3  MET  62           HG3      MET  62  -3.506  -3.061  -1.986
  267    HE1  MET  62           HE1      MET  62  -3.359  -3.972  -4.963
  268    HE2  MET  62           HE2      MET  62  -1.879  -3.204  -5.559
  269    HE3  MET  62           HE3      MET  62  -2.981  -2.289  -4.505
  270    H    VAL  63           H        VAL  63  -2.716  -2.617   1.565
  271    HA   VAL  63           HA       VAL  63  -4.829  -0.685   0.810
  272    HB   VAL  63           HB       VAL  63  -3.888  -1.251   3.656
  273   HG11  VAL  63          HG11      VAL  63  -5.592   1.063   2.631
  274   HG12  VAL  63          HG12      VAL  63  -3.990   1.190   3.409
  275   HG13  VAL  63          HG13      VAL  63  -5.371   0.612   4.326
  276   HG21  VAL  63          HG21      VAL  63  -5.733  -2.686   2.964
  277   HG22  VAL  63          HG22      VAL  63  -6.612  -1.284   2.325
  278   HG23  VAL  63          HG23      VAL  63  -6.366  -1.438   4.056
  279    H    ILE  64           H        ILE  64  -4.057   1.358   0.472
  280    HA   ILE  64           HA       ILE  64  -1.133   1.893   0.860
  281    HB   ILE  64           HB       ILE  64  -2.943   3.110  -1.266
  282   HG12  ILE  64          HG12      ILE  64  -1.235   1.653  -2.760
  283   HG13  ILE  64          HG13      ILE  64  -1.315   0.584  -1.376
  284   HG21  ILE  64          HG21      ILE  64   0.090   3.083  -0.965
  285   HG22  ILE  64          HG22      ILE  64  -0.968   4.470  -0.618
  286   HG23  ILE  64          HG23      ILE  64  -0.836   3.874  -2.258
  287   HD11  ILE  64          HD11      ILE  64  -3.772   0.386  -1.676
  288   HD12  ILE  64          HD12      ILE  64  -2.901  -0.017  -3.166
  289   HD13  ILE  64          HD13      ILE  64  -3.684   1.564  -3.005
  290    H    LEU  65           H        LEU  65  -0.607   3.771   1.884
  291    HA   LEU  65           HA       LEU  65  -2.746   5.781   2.451
  292    HB2  LEU  65           HB2      LEU  65  -0.404   5.170   4.285
  293    HB3  LEU  65           HB3      LEU  65  -1.693   6.348   4.538
  294    HG   LEU  65           HG       LEU  65  -2.071   3.350   4.556
  295   HD11  LEU  65          HD11      LEU  65  -2.180   5.378   6.832
  296   HD12  LEU  65          HD12      LEU  65  -0.808   4.309   6.510
  297   HD13  LEU  65          HD13      LEU  65  -2.374   3.612   6.957
  298   HD21  LEU  65          HD21      LEU  65  -4.141   4.451   3.846
  299   HD22  LEU  65          HD22      LEU  65  -4.019   5.597   5.200
  300   HD23  LEU  65          HD23      LEU  65  -4.279   3.870   5.517
  301    H    THR  66           H        THR  66  -2.326   7.605   1.384
  302    HA   THR  66           HA       THR  66   0.428   8.078   0.310
  303    HB   THR  66           HB       THR  66  -0.623   9.515  -1.331
  304    HG1  THR  66           HG1      THR  66  -2.330  10.337  -0.238
  305   HG21  THR  66          HG21      THR  66  -0.507   7.093  -1.842
  306   HG22  THR  66          HG22      THR  66  -1.872   7.913  -2.622
  307   HG23  THR  66          HG23      THR  66  -2.159   6.900  -1.191
  308    H    GLU  67           H        GLU  67   0.980  10.477  -0.037
  309    HA   GLU  67           HA       GLU  67   0.714  12.168   2.258
  310    HB2  GLU  67           HB2      GLU  67   0.736  13.211  -0.573
  311    HB3  GLU  67           HB3      GLU  67   1.330  13.999   0.869
  312    HG2  GLU  67           HG2      GLU  67   3.262  12.553   0.968
  313    HG3  GLU  67           HG3      GLU  67   2.640  11.519  -0.315
  314    H    ASN  68           H        ASN  68  -0.627  14.170   2.361
  315    HA   ASN  68           HA       ASN  68  -2.603  15.259   2.503
  316    HB2  ASN  68           HB2      ASN  68  -3.057  14.225  -0.309
  317    HB3  ASN  68           HB3      ASN  68  -3.727  15.687   0.369
  318   HD21  ASN  68          HD21      ASN  68  -1.582  14.888  -1.841
  319   HD22  ASN  68          HD22      ASN  68  -0.192  15.917  -1.424
  320    H    LYS  69           H        LYS  69  -2.519  12.727   3.595
  321    HA   LYS  69           HA       LYS  69  -3.639  11.021   4.527
  322    HB2  LYS  69           HB2      LYS  69  -5.899  13.031   4.649
  323    HB3  LYS  69           HB3      LYS  69  -5.653  11.635   5.712
  324    HG2  LYS  69           HG2      LYS  69  -3.392  12.666   6.350
  325    HG3  LYS  69           HG3      LYS  69  -3.936  14.134   5.529
  326    HD2  LYS  69           HD2      LYS  69  -5.104  12.806   7.992
  327    HD3  LYS  69           HD3      LYS  69  -4.372  14.411   7.846
  328    HE2  LYS  69           HE2      LYS  69  -6.322  14.992   6.261
  329    HE3  LYS  69           HE3      LYS  69  -7.056  13.459   6.749
  330    HZ1  LYS  69           HZ1      LYS  69  -6.409  15.753   8.497
  331    HZ2  LYS  69           HZ2      LYS  69  -6.885  14.283   9.076
  332    HZ3  LYS  69           HZ3      LYS  69  -7.917  15.163   8.140
  333    H    GLY  70           H        GLY  70  -3.891  10.886   1.585
  334    HA2  GLY  70           HA2      GLY  70  -6.444   9.697   0.995
  335    HA3  GLY  70           HA3      GLY  70  -4.956   9.415   0.104
  336    H    TYR  71           H        TYR  71  -7.165   7.653   1.040
  337    HA   TYR  71           HA       TYR  71  -5.502   5.373   1.976
  338    HB2  TYR  71           HB2      TYR  71  -6.694   5.942   3.955
  339    HB3  TYR  71           HB3      TYR  71  -8.165   6.307   3.070
  340    HD1  TYR  71           HD1      TYR  71  -9.591   4.513   2.115
  341    HD2  TYR  71           HD2      TYR  71  -6.314   3.626   4.793
  342    HE1  TYR  71           HE1      TYR  71 -10.504   2.248   2.487
  343    HE2  TYR  71           HE2      TYR  71  -7.282   1.383   5.213
  344    HH   TYR  71           HH       TYR  71 -10.289   0.276   3.589
  345    H    TYR  72           H        TYR  72  -5.729   3.644   0.711
  346    HA   TYR  72           HA       TYR  72  -8.090   3.319  -1.079
  347    HB2  TYR  72           HB2      TYR  72  -5.195   3.185  -2.006
  348    HB3  TYR  72           HB3      TYR  72  -6.624   2.910  -2.991
  349    HD1  TYR  72           HD1      TYR  72  -8.216   4.838  -3.449
  350    HD2  TYR  72           HD2      TYR  72  -4.351   5.397  -1.608
  351    HE1  TYR  72           HE1      TYR  72  -8.320   7.267  -3.964
  352    HE2  TYR  72           HE2      TYR  72  -4.468   7.841  -2.117
  353    HH   TYR  72           HH       TYR  72  -7.295   9.260  -3.800
  354    H    THR  73           H        THR  73  -8.568   1.157  -1.564
  355    HA   THR  73           HA       THR  73  -6.662  -0.923  -0.614
  356    HB   THR  73           HB       THR  73  -8.271  -0.547   1.207
  357    HG1  THR  73           HG1      THR  73  -7.356  -2.643   0.668
  358   HG21  THR  73          HG21      THR  73 -10.415  -1.641  -0.650
  359   HG22  THR  73          HG22      THR  73 -10.277   0.058  -0.133
  360   HG23  THR  73          HG23      THR  73 -10.565  -1.205   1.062
  361    H    VAL  74           H        VAL  74  -6.632  -2.826  -1.652
  362    HA   VAL  74           HA       VAL  74  -8.597  -3.423  -3.761
  363    HB   VAL  74           HB       VAL  74  -5.648  -3.607  -4.458
  364   HG11  VAL  74          HG11      VAL  74  -6.544  -3.684  -6.756
  365   HG12  VAL  74          HG12      VAL  74  -8.198  -3.481  -6.139
  366   HG13  VAL  74          HG13      VAL  74  -7.273  -4.948  -5.767
  367   HG21  VAL  74          HG21      VAL  74  -7.454  -1.258  -5.176
  368   HG22  VAL  74          HG22      VAL  74  -5.861  -1.603  -5.888
  369   HG23  VAL  74          HG23      VAL  74  -5.978  -1.192  -4.180
  370    H    TYR  75           H        TYR  75  -8.982  -5.611  -3.826
  371    HA   TYR  75           HA       TYR  75  -7.472  -7.387  -2.026
  372    HB2  TYR  75           HB2      TYR  75  -9.963  -7.674  -3.668
  373    HB3  TYR  75           HB3      TYR  75  -9.066  -9.111  -3.214
  374    HD1  TYR  75           HD1      TYR  75 -10.353  -5.945  -1.580
  375    HD2  TYR  75           HD2      TYR  75  -9.544 -10.166  -1.170
  376    HE1  TYR  75           HE1      TYR  75 -11.353  -5.927   0.690
  377    HE2  TYR  75           HE2      TYR  75 -10.565 -10.138   1.094
  378    HH   TYR  75           HH       TYR  75 -11.435  -8.835   2.751
  379    H    LEU  76           H        LEU  76  -6.390  -9.219  -2.645
  380    HA   LEU  76           HA       LEU  76  -4.987  -9.114  -5.283
  381    HB2  LEU  76           HB2      LEU  76  -4.135 -10.242  -2.590
  382    HB3  LEU  76           HB3      LEU  76  -3.178 -10.309  -4.062
  383    HG   LEU  76           HG       LEU  76  -4.044  -7.686  -2.747
  384   HD11  LEU  76          HD11      LEU  76  -2.596  -8.917  -1.235
  385   HD12  LEU  76          HD12      LEU  76  -1.703  -7.578  -1.977
  386   HD13  LEU  76          HD13      LEU  76  -1.451  -9.242  -2.556
  387   HD21  LEU  76          HD21      LEU  76  -3.515  -7.413  -5.121
  388   HD22  LEU  76          HD22      LEU  76  -2.001  -8.327  -4.916
  389   HD23  LEU  76          HD23      LEU  76  -2.213  -6.739  -4.143
  390    H    ASN  77           H        ASN  77  -7.105 -11.080  -3.332
  391    HA   ASN  77           HA       ASN  77  -6.844 -13.580  -4.719
  392    HB2  ASN  77           HB2      ASN  77  -9.179 -12.118  -3.419
  393    HB3  ASN  77           HB3      ASN  77  -9.385 -13.679  -4.197
  394   HD21  ASN  77          HD21      ASN  77 -10.093 -13.466  -1.579
  395   HD22  ASN  77          HD22      ASN  77  -8.949 -14.372  -0.626
  396    H    THR  78           H        THR  78  -7.734 -10.495  -6.010
  397    HA   THR  78           HA       THR  78  -8.613 -11.673  -8.553
  398    HB   THR  78           HB       THR  78 -10.564 -10.206  -8.685
  399    HG1  THR  78           HG1      THR  78 -10.990  -9.473  -6.227
  400   HG21  THR  78          HG21      THR  78 -10.776 -11.713  -6.040
  401   HG22  THR  78          HG22      THR  78 -10.939 -12.458  -7.643
  402   HG23  THR  78          HG23      THR  78 -12.091 -11.220  -7.128
  403    HA   PRO  79           HA       PRO  79  -6.578  -7.861 -10.106
  404    HB2  PRO  79           HB2      PRO  79  -8.687  -8.025 -12.252
  405    HB3  PRO  79           HB3      PRO  79  -6.917  -7.795 -12.416
  406    HG2  PRO  79           HG2      PRO  79  -8.016 -10.211 -12.953
  407    HG3  PRO  79           HG3      PRO  79  -6.505 -10.109 -11.978
  408    HD2  PRO  79           HD2      PRO  79  -9.338 -10.422 -10.961
  409    HD3  PRO  79           HD3      PRO  79  -7.876 -11.359 -10.544
  410    H    LEU  80           H        LEU  80  -7.074  -5.598 -10.219
  411    HA   LEU  80           HA       LEU  80  -9.171  -4.711  -8.543
  412    HB2  LEU  80           HB2      LEU  80  -8.330  -2.604  -8.775
  413    HB3  LEU  80           HB3      LEU  80  -6.917  -3.590  -9.109
  414    HG   LEU  80           HG       LEU  80  -8.652  -2.185 -11.205
  415   HD11  LEU  80          HD11      LEU  80  -5.885  -1.533 -10.150
  416   HD12  LEU  80          HD12      LEU  80  -7.373  -0.647  -9.765
  417   HD13  LEU  80          HD13      LEU  80  -6.773  -0.668 -11.427
  418   HD21  LEU  80          HD21      LEU  80  -5.945  -3.521 -11.555
  419   HD22  LEU  80          HD22      LEU  80  -6.867  -2.686 -12.802
  420   HD23  LEU  80          HD23      LEU  80  -7.483  -4.201 -12.142
  421    H    ALA  81           H        ALA  81 -11.037  -3.429  -8.849
  422    HA   ALA  81           HA       ALA  81 -12.573  -3.986 -11.225
  423    HB1  ALA  81           HB1      ALA  81 -13.124  -2.215  -8.816
  424    HB2  ALA  81           HB2      ALA  81 -13.653  -3.899  -9.051
  425    HB3  ALA  81           HB3      ALA  81 -14.313  -2.623 -10.073
  426    H    GLU  82           H        GLU  82 -13.657  -2.465 -12.546
  427    HA   GLU  82           HA       GLU  82 -11.799  -1.130 -14.069
  428    HB2  GLU  82           HB2      GLU  82 -13.656  -0.192 -15.362
  429    HB3  GLU  82           HB3      GLU  82 -13.769  -1.921 -15.077
  430    HG2  GLU  82           HG2      GLU  82 -15.504  -1.577 -13.373
  431    HG3  GLU  82           HG3      GLU  82 -15.342   0.177 -13.531
  432    H    ASP  83           H        ASP  83 -13.746   0.608 -11.556
  433    HA   ASP  83           HA       ASP  83 -12.938   3.177 -12.716
  434    HB2  ASP  83           HB2      ASP  83 -14.365   2.520 -10.124
  435    HB3  ASP  83           HB3      ASP  83 -14.213   4.100 -10.879
  436    H    ARG  84           H        ARG  84 -11.740   1.053 -10.218
  437    HA   ARG  84           HA       ARG  84  -9.928   2.891  -8.874
  438    HB2  ARG  84           HB2      ARG  84  -9.976  -0.137  -9.227
  439    HB3  ARG  84           HB3      ARG  84  -8.698   0.704  -8.352
  440    HG2  ARG  84           HG2      ARG  84 -10.177   1.528  -6.697
  441    HG3  ARG  84           HG3      ARG  84 -11.615   1.008  -7.574
  442    HD2  ARG  84           HD2      ARG  84 -11.247  -1.279  -7.129
  443    HD3  ARG  84           HD3      ARG  84  -9.521  -1.045  -6.851
  444    HE   ARG  84           HE       ARG  84  -9.881  -0.574  -4.633
  445   HH11  ARG  84          HH11      ARG  84 -13.109  -0.400  -6.123
  446   HH12  ARG  84          HH12      ARG  84 -13.857  -0.514  -4.546
  447   HH21  ARG  84          HH21      ARG  84 -10.865  -0.659  -2.822
  448   HH22  ARG  84          HH22      ARG  84 -12.611  -0.718  -2.675
  449    H    LYS  85           H        LYS  85  -9.922   1.439 -12.040
  450    HA   LYS  85           HA       LYS  85  -7.066   1.485 -12.479
  451    HB2  LYS  85           HB2      LYS  85  -9.317   1.685 -14.502
  452    HB3  LYS  85           HB3      LYS  85  -7.615   1.394 -14.864
  453    HG2  LYS  85           HG2      LYS  85  -7.631  -0.706 -13.614
  454    HG3  LYS  85           HG3      LYS  85  -9.342  -0.475 -13.185
  455    HD2  LYS  85           HD2      LYS  85  -9.918  -0.448 -15.590
  456    HD3  LYS  85           HD3      LYS  85  -8.214  -0.741 -15.996
  457    HE2  LYS  85           HE2      LYS  85  -8.247  -2.913 -14.906
  458    HE3  LYS  85           HE3      LYS  85  -9.858  -2.613 -14.227
  459    HZ1  LYS  85           HZ1      LYS  85  -9.979  -4.020 -16.229
  460    HZ2  LYS  85           HZ2      LYS  85  -9.280  -2.834 -17.129
  461    HZ3  LYS  85           HZ3      LYS  85 -10.744  -2.579 -16.489
  462    H    ASN  86           H        ASN  86  -9.488   3.998 -12.533
  463    HA   ASN  86           HA       ASN  86  -7.556   5.867 -13.842
  464    HB2  ASN  86           HB2      ASN  86  -9.365   6.813 -14.999
  465    HB3  ASN  86           HB3      ASN  86  -9.541   5.080 -15.168
  466   HD21  ASN  86          HD21      ASN  86 -11.727   4.525 -15.103
  467   HD22  ASN  86          HD22      ASN  86 -12.899   5.407 -14.143
  468    H    VAL  87           H        VAL  87  -9.024   5.423 -10.811
  469    HA   VAL  87           HA       VAL  87  -9.741   8.106 -10.179
  470    HB   VAL  87           HB       VAL  87 -10.443   6.081  -8.939
  471   HG11  VAL  87          HG11      VAL  87  -9.135   5.092  -7.200
  472   HG12  VAL  87          HG12      VAL  87  -7.751   6.141  -7.563
  473   HG13  VAL  87          HG13      VAL  87  -8.296   4.928  -8.751
  474   HG21  VAL  87          HG21      VAL  87  -9.150   8.186  -7.168
  475   HG22  VAL  87          HG22      VAL  87 -10.509   7.119  -6.753
  476   HG23  VAL  87          HG23      VAL  87 -10.712   8.363  -7.998
  477    H    GLU  88           H        GLU  88  -8.591   9.878  -9.807
  478    HA   GLU  88           HA       GLU  88  -5.709   9.932  -9.901
  479    HB2  GLU  88           HB2      GLU  88  -7.824  12.009  -9.252
  480    HB3  GLU  88           HB3      GLU  88  -6.097  12.378  -9.288
  481    HG2  GLU  88           HG2      GLU  88  -5.896  11.958 -11.606
  482    HG3  GLU  88           HG3      GLU  88  -7.414  11.068 -11.691
  483    H    LEU  89           H        LEU  89  -4.259   9.762  -8.342
  484    HA   LEU  89           HA       LEU  89  -4.984   9.073  -5.616
  485    HB2  LEU  89           HB2      LEU  89  -2.342   9.578  -7.054
  486    HB3  LEU  89           HB3      LEU  89  -2.422   9.055  -5.386
  487    HG   LEU  89           HG       LEU  89  -3.533   7.484  -7.751
  488   HD11  LEU  89          HD11      LEU  89  -1.625   5.992  -7.432
  489   HD12  LEU  89          HD12      LEU  89  -1.021   7.008  -6.103
  490   HD13  LEU  89          HD13      LEU  89  -1.057   7.636  -7.755
  491   HD21  LEU  89          HD21      LEU  89  -3.160   6.658  -4.839
  492   HD22  LEU  89          HD22      LEU  89  -3.632   5.571  -6.162
  493   HD23  LEU  89          HD23      LEU  89  -4.717   6.869  -5.673
  494    H    LEU  90           H        LEU  90  -5.130  10.328  -3.864
  495    HA   LEU  90           HA       LEU  90  -5.050  13.144  -3.889
  496    HB2  LEU  90           HB2      LEU  90  -5.040  11.032  -1.723
  497    HB3  LEU  90           HB3      LEU  90  -4.914  12.725  -1.279
  498    HG   LEU  90           HG       LEU  90  -7.180  11.734  -3.050
  499   HD11  LEU  90          HD11      LEU  90  -8.564  11.707  -0.983
  500   HD12  LEU  90          HD12      LEU  90  -7.094  11.949  -0.011
  501   HD13  LEU  90          HD13      LEU  90  -7.311  10.467  -0.982
  502   HD21  LEU  90          HD21      LEU  90  -6.857  14.180  -1.246
  503   HD22  LEU  90          HD22      LEU  90  -8.309  13.759  -2.181
  504   HD23  LEU  90          HD23      LEU  90  -6.824  14.182  -3.024
  505    H    GLY  91           H        GLY  91  -2.371  10.946  -3.352
  506    HA2  GLY  91           HA2      GLY  91  -0.432  13.090  -3.595
  507    HA3  GLY  91           HA3      GLY  91  -0.542  12.444  -1.960
  508    H    LYS  92           H        LYS  92   1.830  12.148  -2.784
  509    HA   LYS  92           HA       LYS  92   2.460   9.836  -4.376
  510    HB2  LYS  92           HB2      LYS  92   3.832  11.974  -3.680
  511    HB3  LYS  92           HB3      LYS  92   4.269  11.022  -2.269
  512    HG2  LYS  92           HG2      LYS  92   5.998  10.744  -3.806
  513    HG3  LYS  92           HG3      LYS  92   5.050   9.268  -3.959
  514    HD2  LYS  92           HD2      LYS  92   5.644   9.864  -6.127
  515    HD3  LYS  92           HD3      LYS  92   3.939  10.327  -6.000
  516    HE2  LYS  92           HE2      LYS  92   4.464  12.650  -5.890
  517    HE3  LYS  92           HE3      LYS  92   6.148  12.331  -5.433
  518    HZ1  LYS  92           HZ1      LYS  92   6.589  11.491  -7.614
  519    HZ2  LYS  92           HZ2      LYS  92   5.961  12.998  -7.780
  520    HZ3  LYS  92           HZ3      LYS  92   5.022  11.681  -8.095
  521    H    MET  93           H        MET  93   3.553   7.883  -3.690
  522    HA   MET  93           HA       MET  93   1.918   6.424  -1.819
  523    HB2  MET  93           HB2      MET  93   2.769   5.630  -4.070
  524    HB3  MET  93           HB3      MET  93   4.367   5.471  -3.351
  525    HG2  MET  93           HG2      MET  93   3.157   3.942  -1.576
  526    HG3  MET  93           HG3      MET  93   1.820   3.958  -2.710
  527    HE1  MET  93           HE1      MET  93   5.820   1.690  -3.076
  528    HE2  MET  93           HE2      MET  93   5.001   2.191  -1.580
  529    HE3  MET  93           HE3      MET  93   5.771   3.410  -2.621
  530    H    TYR  94           H        TYR  94   2.782   7.877   0.114
  531    HA   TYR  94           HA       TYR  94   5.281   7.434   1.270
  532    HB2  TYR  94           HB2      TYR  94   3.744   9.067   2.188
  533    HB3  TYR  94           HB3      TYR  94   2.593   7.824   2.603
  534    HD1  TYR  94           HD1      TYR  94   6.329   7.898   3.251
  535    HD2  TYR  94           HD2      TYR  94   2.358   7.854   4.936
  536    HE1  TYR  94           HE1      TYR  94   7.295   7.868   5.538
  537    HE2  TYR  94           HE2      TYR  94   3.330   7.837   7.220
  538    HH   TYR  94           HH       TYR  94   6.872   8.034   7.768
  539    H    LYS  95           H        LYS  95   2.398   5.267   1.743
  540    HA   LYS  95           HA       LYS  95   4.267   3.089   2.380
  541    HB2  LYS  95           HB2      LYS  95   3.595   4.680   4.467
  542    HB3  LYS  95           HB3      LYS  95   2.209   3.622   4.528
  543    HG2  LYS  95           HG2      LYS  95   3.502   1.746   5.091
  544    HG3  LYS  95           HG3      LYS  95   4.962   2.366   4.318
  545    HD2  LYS  95           HD2      LYS  95   3.796   3.619   6.803
  546    HD3  LYS  95           HD3      LYS  95   5.018   2.337   6.844
  547    HE2  LYS  95           HE2      LYS  95   6.577   3.743   5.573
  548    HE3  LYS  95           HE3      LYS  95   5.373   5.024   5.425
  549    HZ1  LYS  95           HZ1      LYS  95   6.430   4.057   8.028
  550    HZ2  LYS  95           HZ2      LYS  95   5.457   5.346   7.807
  551    HZ3  LYS  95           HZ3      LYS  95   7.031   5.332   7.237
  552    H    THR  96           H        THR  96   3.383   1.013   2.505
  553    HA   THR  96           HA       THR  96   0.514   0.641   1.790
  554    HB   THR  96           HB       THR  96   2.799  -0.729   0.319
  555    HG1  THR  96           HG1      THR  96   2.234   1.504  -0.133
  556   HG21  THR  96          HG21      THR  96   1.071  -1.598  -1.181
  557   HG22  THR  96          HG22      THR  96  -0.204  -0.840  -0.217
  558   HG23  THR  96          HG23      THR  96   0.732  -2.174   0.442
  559    H    TYR  97           H        TYR  97  -0.312  -1.311   2.329
  560    HA   TYR  97           HA       TYR  97   1.094  -2.954   4.399
  561    HB2  TYR  97           HB2      TYR  97  -1.742  -1.837   4.600
  562    HB3  TYR  97           HB3      TYR  97  -0.870  -2.726   5.813
  563    HD1  TYR  97           HD1      TYR  97  -1.055   0.542   4.030
  564    HD2  TYR  97           HD2      TYR  97   0.681  -1.661   7.297
  565    HE1  TYR  97           HE1      TYR  97  -0.024   2.628   4.914
  566    HE2  TYR  97           HE2      TYR  97   1.604   0.421   8.222
  567    HH   TYR  97           HH       TYR  97   1.877   2.700   7.936
  568    H    PHE  98           H        PHE  98   0.577  -5.098   4.393
  569    HA   PHE  98           HA       PHE  98  -1.488  -6.128   2.470
  570    HB2  PHE  98           HB2      PHE  98   1.371  -6.991   2.878
  571    HB3  PHE  98           HB3      PHE  98   0.232  -7.783   1.805
  572    HD1  PHE  98           HD1      PHE  98   2.307  -4.738   2.309
  573    HD2  PHE  98           HD2      PHE  98  -0.214  -6.949  -0.388
  574    HE1  PHE  98           HE1      PHE  98   3.093  -3.340   0.430
  575    HE2  PHE  98           HE2      PHE  98   0.610  -5.572  -2.291
  576    HZ   PHE  98           HZ       PHE  98   2.283  -3.793  -1.891
  577    H    PHE  99           H        PHE  99  -2.267  -8.183   2.821
  578    HA   PHE  99           HA       PHE  99  -2.012  -9.295   5.597
  579    HB2  PHE  99           HB2      PHE  99  -4.585  -8.714   4.078
  580    HB3  PHE  99           HB3      PHE  99  -4.435  -9.180   5.755
  581    HD1  PHE  99           HD1      PHE  99  -3.867  -6.405   3.310
  582    HD2  PHE  99           HD2      PHE  99  -4.151  -7.465   7.473
  583    HE1  PHE  99           HE1      PHE  99  -3.639  -4.020   3.919
  584    HE2  PHE  99           HE2      PHE  99  -4.039  -5.061   8.067
  585    HZ   PHE  99           HZ       PHE  99  -3.642  -3.353   6.309
  586    H    LYS 100           H        LYS 100  -1.992 -11.535   5.645
  587    HA   LYS 100           HA       LYS 100  -2.377 -13.079   3.173
  588    HB2  LYS 100           HB2      LYS 100  -1.866 -14.064   5.994
  589    HB3  LYS 100           HB3      LYS 100  -2.065 -15.084   4.568
  590    HG2  LYS 100           HG2      LYS 100   0.159 -15.020   4.617
  591    HG3  LYS 100           HG3      LYS 100  -0.174 -13.706   3.490
  592    HD2  LYS 100           HD2      LYS 100   0.281 -12.053   5.153
  593    HD3  LYS 100           HD3      LYS 100   0.360 -13.257   6.449
  594    HE2  LYS 100           HE2      LYS 100   2.250 -13.382   4.080
  595    HE3  LYS 100           HE3      LYS 100   2.542 -12.261   5.416
  596    HZ1  LYS 100           HZ1      LYS 100   2.179 -15.165   5.885
  597    HZ2  LYS 100           HZ2      LYS 100   2.710 -14.036   6.939
  598    HZ3  LYS 100           HZ3      LYS 100   3.657 -14.473   5.656
  599    H    LYS 101           H        LYS 101  -3.707 -14.978   3.110
  600    HA   LYS 101           HA       LYS 101  -6.526 -14.534   3.204
  601    HB2  LYS 101           HB2      LYS 101  -4.855 -17.073   2.902
  602    HB3  LYS 101           HB3      LYS 101  -6.572 -16.960   2.503
  603    HG2  LYS 101           HG2      LYS 101  -6.181 -15.464   0.680
  604    HG3  LYS 101           HG3      LYS 101  -4.512 -15.183   1.142
  605    HD2  LYS 101           HD2      LYS 101  -3.955 -17.559   0.692
  606    HD3  LYS 101           HD3      LYS 101  -5.630 -17.835   0.154
  607    HE2  LYS 101           HE2      LYS 101  -5.345 -16.068  -1.577
  608    HE3  LYS 101           HE3      LYS 101  -3.684 -15.795  -1.026
  609    HZ1  LYS 101           HZ1      LYS 101  -3.178 -18.102  -1.655
  610    HZ2  LYS 101           HZ2      LYS 101  -3.653 -17.230  -2.926
  611    HZ3  LYS 101           HZ3      LYS 101  -4.706 -18.293  -2.260
  612    H    GLY 102           H        GLY 102  -5.870 -13.944   5.688
  613    HA2  GLY 102           HA2      GLY 102  -7.368 -15.274   7.598
  614    HA3  GLY 102           HA3      GLY 102  -5.805 -16.118   7.593
  615    H    GLU 103           H        GLU 103  -6.187 -12.622   6.956
  616    HA   GLU 103           HA       GLU 103  -5.190 -11.912   9.655
  617    HB2  GLU 103           HB2      GLU 103  -3.780 -11.154   7.061
  618    HB3  GLU 103           HB3      GLU 103  -3.491 -10.383   8.618
  619    HG2  GLU 103           HG2      GLU 103  -2.848 -12.647   9.542
  620    HG3  GLU 103           HG3      GLU 103  -2.889 -13.266   7.886
  621    H    SER 104           H        SER 104  -5.612  -9.851  10.290
  622    HA   SER 104           HA       SER 104  -6.756  -7.907   8.349
  623    HB2  SER 104           HB2      SER 104  -8.483  -7.190   9.914
  624    HB3  SER 104           HB3      SER 104  -8.712  -8.863   9.405
  625    HG   SER 104           HG       SER 104  -8.133  -9.579  11.361
  626    H    LYS 105           H        LYS 105  -4.281  -8.470  10.399
  627    HA   LYS 105           HA       LYS 105  -3.749  -5.532  10.399
  628    HB2  LYS 105           HB2      LYS 105  -4.163  -6.192  12.702
  629    HB3  LYS 105           HB3      LYS 105  -2.973  -7.506  12.566
  630    HG2  LYS 105           HG2      LYS 105  -1.178  -5.972  12.369
  631    HG3  LYS 105           HG3      LYS 105  -2.217  -4.578  12.181
  632    HD2  LYS 105           HD2      LYS 105  -1.366  -4.572  14.450
  633    HD3  LYS 105           HD3      LYS 105  -3.087  -4.953  14.534
  634    HE2  LYS 105           HE2      LYS 105  -2.654  -7.285  14.832
  635    HE3  LYS 105           HE3      LYS 105  -0.937  -7.085  14.427
  636    HZ1  LYS 105           HZ1      LYS 105  -2.255  -5.968  16.844
  637    HZ2  LYS 105           HZ2      LYS 105  -0.649  -5.802  16.451
  638    HZ3  LYS 105           HZ3      LYS 105  -1.293  -7.276  16.825
  639    H    SER 106           H        SER 106  -2.009  -5.030   9.230
  640    HA   SER 106           HA       SER 106  -1.172  -6.995   7.403
  641    HB2  SER 106           HB2      SER 106   0.206  -5.292   6.387
  642    HB3  SER 106           HB3      SER 106  -1.338  -4.599   6.893
  643    HG   SER 106           HG       SER 106   1.194  -4.400   8.122
  644    H    SER 107           H        SER 107   0.236  -8.661   7.655
  645    HA   SER 107           HA       SER 107   2.561  -8.550   9.442
  646    HB2  SER 107           HB2      SER 107   3.137 -10.690   8.239
  647    HB3  SER 107           HB3      SER 107   1.561 -10.691   9.043
  648    HG   SER 107           HG       SER 107   0.565 -10.793   7.157
  649    H    TYR 108           H        TYR 108   1.972  -7.652   6.149
  650    HA   TYR 108           HA       TYR 108   4.896  -7.170   5.751
  651    HB2  TYR 108           HB2      TYR 108   4.265  -9.082   4.462
  652    HB3  TYR 108           HB3      TYR 108   2.848  -8.274   3.834
  653    HD1  TYR 108           HD1      TYR 108   6.562  -7.752   3.982
  654    HD2  TYR 108           HD2      TYR 108   3.008  -7.566   1.595
  655    HE1  TYR 108           HE1      TYR 108   7.925  -7.085   1.993
  656    HE2  TYR 108           HE2      TYR 108   4.313  -6.711  -0.313
  657    HH   TYR 108           HH       TYR 108   6.412  -6.330  -1.169
  658    H    VAL 109           H        VAL 109   5.495  -5.343   4.893
  659    HA   VAL 109           HA       VAL 109   3.567  -3.272   4.019
  660    HB   VAL 109           HB       VAL 109   4.877  -1.632   5.529
  661   HG11  VAL 109          HG11      VAL 109   2.567  -2.250   5.983
  662   HG12  VAL 109          HG12      VAL 109   3.514  -1.976   7.466
  663   HG13  VAL 109          HG13      VAL 109   3.129  -3.642   6.957
  664   HG21  VAL 109          HG21      VAL 109   5.926  -2.422   7.487
  665   HG22  VAL 109          HG22      VAL 109   6.606  -3.344   6.113
  666   HG23  VAL 109          HG23      VAL 109   5.437  -4.111   7.188
  667    H    ILE 110           H        ILE 110   4.595  -1.394   3.101
  668    HA   ILE 110           HA       ILE 110   7.448  -1.666   2.266
  669    HB   ILE 110           HB       ILE 110   5.160  -1.131   0.395
  670   HG12  ILE 110          HG12      ILE 110   6.867  -3.623   0.355
  671   HG13  ILE 110          HG13      ILE 110   5.270  -3.598   0.982
  672   HG21  ILE 110          HG21      ILE 110   8.135  -1.455  -0.196
  673   HG22  ILE 110          HG22      ILE 110   7.245   0.082  -0.214
  674   HG23  ILE 110          HG23      ILE 110   6.873  -1.141  -1.403
  675   HD11  ILE 110          HD11      ILE 110   4.446  -2.925  -1.296
  676   HD12  ILE 110          HD12      ILE 110   5.240  -4.527  -1.201
  677   HD13  ILE 110          HD13      ILE 110   6.094  -3.134  -1.871
  678    H    ASN 111           H        ASN 111   8.428   0.280   2.409
  679    HA   ASN 111           HA       ASN 111   6.759   2.707   2.961
  680    HB2  ASN 111           HB2      ASN 111   9.717   2.169   3.419
  681    HB3  ASN 111           HB3      ASN 111   8.862   3.640   3.862
  682   HD21  ASN 111          HD21      ASN 111  10.287   2.305   5.756
  683   HD22  ASN 111          HD22      ASN 111   9.131   1.711   6.957
  684    H    GLY 112           H        GLY 112   7.061   4.599   1.723
  685    HA2  GLY 112           HA2      GLY 112   8.753   4.458  -0.723
  686    HA3  GLY 112           HA3      GLY 112   7.002   4.416  -0.909
  687    HA   PRO 113           HA       PRO 113   8.760   8.744  -0.964
  688    HB2  PRO 113           HB2      PRO 113   7.772   9.620  -3.338
  689    HB3  PRO 113           HB3      PRO 113   9.225   8.604  -3.212
  690    HG2  PRO 113           HG2      PRO 113   6.384   7.642  -3.738
  691    HG3  PRO 113           HG3      PRO 113   7.838   7.321  -4.706
  692    HD2  PRO 113           HD2      PRO 113   6.930   5.598  -2.807
  693    HD3  PRO 113           HD3      PRO 113   8.691   5.866  -2.991
  694    H    GLY 114           H        GLY 114   7.755  10.140   0.256
  695    HA2  GLY 114           HA2      GLY 114   5.613  11.668  -0.115
  696    HA3  GLY 114           HA3      GLY 114   4.817  10.262   0.585
  697    H    LYS 115           H        LYS 115   7.247   9.784   2.316
  698    HA   LYS 115           HA       LYS 115   7.928  10.051   4.409
  699    HB2  LYS 115           HB2      LYS 115   9.052  11.926   3.232
  700    HB3  LYS 115           HB3      LYS 115   7.788  13.015   3.770
  701    HG2  LYS 115           HG2      LYS 115   9.865  13.170   5.069
  702    HG3  LYS 115           HG3      LYS 115   8.459  12.838   6.060
  703    HD2  LYS 115           HD2      LYS 115  10.460  11.594   6.799
  704    HD3  LYS 115           HD3      LYS 115   9.142  10.510   6.369
  705    HE2  LYS 115           HE2      LYS 115  10.209  10.109   4.143
  706    HE3  LYS 115           HE3      LYS 115  11.535  11.187   4.612
  707    HZ1  LYS 115           HZ1      LYS 115  12.123   8.893   5.031
  708    HZ2  LYS 115           HZ2      LYS 115  12.013   9.691   6.457
  709    HZ3  LYS 115           HZ3      LYS 115  10.807   8.645   5.956
  710    H    THR 116           H        THR 116   4.811  11.522   3.916
  711    HA   THR 116           HA       THR 116   3.982  10.643   6.551
  712    HB   THR 116           HB       THR 116   5.062  12.748   7.188
  713    HG1  THR 116           HG1      THR 116   3.432  13.591   8.278
  714   HG21  THR 116          HG21      THR 116   3.133  14.123   5.277
  715   HG22  THR 116          HG22      THR 116   4.908  14.062   5.139
  716   HG23  THR 116          HG23      THR 116   4.147  14.914   6.494
  717    H    ASN 117           H        ASN 117   1.687  10.719   6.806
  718    HA   ASN 117           HA       ASN 117   0.134  11.060   4.322
  719    HB2  ASN 117           HB2      ASN 117  -0.740  10.343   7.159
  720    HB3  ASN 117           HB3      ASN 117  -1.741  10.262   5.700
  721   HD21  ASN 117          HD21      ASN 117  -0.518   8.993   3.817
  722   HD22  ASN 117          HD22      ASN 117   0.238   7.492   4.350
  723    H    GLU 118           H        GLU 118   0.897  12.954   7.201
  724    HA   GLU 118           HA       GLU 118  -1.203  14.945   6.729
  725    HB2  GLU 118           HB2      GLU 118   1.157  14.910   8.643
  726    HB3  GLU 118           HB3      GLU 118  -0.007  16.235   8.483
  727    HG2  GLU 118           HG2      GLU 118  -1.855  14.544   8.949
  728    HG3  GLU 118           HG3      GLU 118  -0.584  13.396   9.395
  729    H    TYR 119           H        TYR 119  -0.823  15.418   4.570
  730    HA   TYR 119           HA       TYR 119  -0.069  16.765   2.866
  731    HB2  TYR 119           HB2      TYR 119  -0.354  18.577   5.264
  732    HB3  TYR 119           HB3      TYR 119  -0.366  19.119   3.588
  733    HD1  TYR 119           HD1      TYR 119  -2.159  18.508   2.039
  734    HD2  TYR 119           HD2      TYR 119  -2.296  17.340   6.186
  735    HE1  TYR 119           HE1      TYR 119  -4.507  17.777   1.743
  736    HE2  TYR 119           HE2      TYR 119  -4.646  16.562   5.871
  737    HH   TYR 119           HH       TYR 119  -6.295  16.766   2.700
  738    H    ALA 120           H        ALA 120   2.013  15.484   3.078
  739    HA   ALA 120           HA       ALA 120   4.247  15.288   2.901
  740    HB1  ALA 120           HB1      ALA 120   3.322  16.104   0.763
  741    HB2  ALA 120           HB2      ALA 120   5.000  16.626   0.976
  742    HB3  ALA 120           HB3      ALA 120   3.681  17.777   1.257
  743    H    TYR 121           H        TYR 121   3.872  16.740   5.381
  744    HA   TYR 121           HA       TYR 121   6.619  17.904   5.530
  745    HB2  TYR 121           HB2      TYR 121   4.909  19.721   5.368
  746    HB3  TYR 121           HB3      TYR 121   4.239  19.179   6.903
  747    HD1  TYR 121           HD1      TYR 121   7.151  20.686   5.201
  748    HD2  TYR 121           HD2      TYR 121   5.473  19.553   9.007
  749    HE1  TYR 121           HE1      TYR 121   8.978  21.901   6.364
  750    HE2  TYR 121           HE2      TYR 121   7.329  20.750  10.174
  751    HH   TYR 121           HH       TYR 121   9.937  22.388   8.332
  752    H1   ACE   6           H1       ACE   6  15.995  -3.777 -13.678
  753    H2   ACE   6           H2       ACE   6  16.510  -5.159 -12.679
  754    H3   ACE   6           H3       ACE   6  14.934  -5.190 -13.500
  755    H    THR   7           H        THR   7  16.821  -3.465 -10.993
  756    HA   THR   7           HA       THR   7  14.431  -2.236  -9.823
  757    HB   THR   7           HB       THR   7  14.403  -4.697  -9.191
  758    HG1  THR   7           HG1      THR   7  13.221  -3.356  -8.100
  759   HG21  THR   7          HG21      THR   7  15.782  -5.487  -7.407
  760   HG22  THR   7          HG22      THR   7  16.848  -4.957  -8.716
  761   HG23  THR   7          HG23      THR   7  16.623  -3.927  -7.282
  762    H    THR   8           H        THR   8  14.993  -1.304  -7.567
  763    HA   THR   8           HA       THR   8  17.679  -0.531  -6.983
  764    HB   THR   8           HB       THR   8  17.567   0.789  -8.989
  765    HG1  THR   8           HG1      THR   8  18.710   1.703  -7.363
  766   HG21  THR   8          HG21      THR   8  16.088   2.657  -9.304
  767   HG22  THR   8          HG22      THR   8  15.247   2.332  -7.775
  768   HG23  THR   8          HG23      THR   8  15.124   1.186  -9.129
  769    HA   PRO   9           HA       PRO   9  15.026   1.945  -3.926
  770    HB2  PRO   9           HB2      PRO   9  12.378   1.987  -3.872
  771    HB3  PRO   9           HB3      PRO   9  13.229   2.702  -5.282
  772    HG2  PRO   9           HG2      PRO   9  11.967   0.020  -5.080
  773    HG3  PRO   9           HG3      PRO   9  11.796   1.233  -6.387
  774    HD2  PRO   9           HD2      PRO   9  13.641  -0.871  -6.434
  775    HD3  PRO   9           HD3      PRO   9  13.802   0.649  -7.357
  776    H    ASP  10           H        ASP  10  13.508   1.532  -1.887
  777    HA   ASP  10           HA       ASP  10  13.951  -1.161  -0.841
  778    HB2  ASP  10           HB2      ASP  10  13.973   1.089   0.477
  779    HB3  ASP  10           HB3      ASP  10  12.218   0.991   0.418
  780    H2   TYS  11           H2       TYS  11  12.609  -2.784  -1.123
  781    HA   TYS  11           HA       TYS  11  10.262  -2.297  -2.866
  782    HB2  TYS  11           HB2      TYS  11  12.523  -4.121  -2.872
  783    HB3  TYS  11           HB3      TYS  11  11.070  -5.085  -2.754
  784    HD1  TYS  11           HD1      TYS  11   9.599  -5.299  -4.603
  785    HD2  TYS  11           HD2      TYS  11  12.439  -2.109  -4.545
  786    HE1  TYS  11           HE1      TYS  11   9.018  -4.760  -6.870
  787    HE2  TYS  11           HE2      TYS  11  11.609  -1.374  -6.714
  788    H    GLY  12           H        GLY  12  11.046  -3.946  -0.015
  789    HA2  GLY  12           HA2      GLY  12   8.703  -3.487   1.199
  790    HA3  GLY  12           HA3      GLY  12   8.495  -5.096   0.489
  791    H    HIS  13           H        HIS  13   8.179  -4.744   3.225
  792    HA   HIS  13           HA       HIS  13  10.146  -6.651   4.223
  793    HB2  HIS  13           HB2      HIS  13  10.659  -5.425   6.260
  794    HB3  HIS  13           HB3      HIS  13  11.311  -4.623   4.847
  795    HD1  HIS  13           HD1      HIS  13   9.825  -2.380   3.978
  796    HD2  HIS  13           HD2      HIS  13   8.936  -3.943   7.820
  797    HE1  HIS  13           HE1      HIS  13   8.244  -0.716   5.110
  798    HE2  HIS  13           HE2      HIS  13   8.168  -1.459   7.625
  799    H2   TYS  14           H2       TYS  14   9.498  -7.723   6.121
  800    HA   TYS  14           HA       TYS  14   6.647  -7.304   6.892
  801    HB2  TYS  14           HB2      TYS  14   8.547  -9.595   7.492
  802    HB3  TYS  14           HB3      TYS  14   6.919  -9.455   8.096
  803    HD1  TYS  14           HD1      TYS  14   8.551  -9.272   4.567
  804    HD2  TYS  14           HD2      TYS  14   5.238 -10.660   7.023
  805    HE1  TYS  14           HE1      TYS  14   7.898 -10.769   2.879
  806    HE2  TYS  14           HE2      TYS  14   4.603 -12.151   5.216
  807    H    ASP  15           H        ASP  15   5.935  -7.131   8.933
  808    HA   ASP  15           HA       ASP  15   7.789  -6.089  10.984
  809    HB2  ASP  15           HB2      ASP  15   7.349  -4.273   9.192
  810    HB3  ASP  15           HB3      ASP  15   5.720  -4.219   9.773
  811    H    ASP  16           H        ASP  16   6.539  -5.230  12.894
  812    HA   ASP  16           HA       ASP  16   4.014  -6.747  13.388
  813    HB2  ASP  16           HB2      ASP  16   6.468  -6.827  15.170
  814    HB3  ASP  16           HB3      ASP  16   4.911  -7.582  15.512
  815    H    LYS  17           H        LYS  17   5.330  -3.742  13.452
  816    HA   LYS  17           HA       LYS  17   3.719  -2.805  15.821
  817    HB2  LYS  17           HB2      LYS  17   6.419  -1.642  15.137
  818    HB3  LYS  17           HB3      LYS  17   5.499  -1.518  16.631
  819    HG2  LYS  17           HG2      LYS  17   6.012  -3.938  17.095
  820    HG3  LYS  17           HG3      LYS  17   6.978  -3.981  15.599
  821    HD2  LYS  17           HD2      LYS  17   8.334  -2.028  16.533
  822    HD3  LYS  17           HD3      LYS  17   7.467  -2.266  18.052
  823    HE2  LYS  17           HE2      LYS  17   9.493  -3.435  18.313
  824    HE3  LYS  17           HE3      LYS  17   8.286  -4.692  18.017
  825    HZ1  LYS  17           HZ1      LYS  17  10.067  -3.531  15.927
  826    HZ2  LYS  17           HZ2      LYS  17   9.074  -4.794  15.688
  827    HZ3  LYS  17           HZ3      LYS  17  10.374  -4.935  16.694
  828    H    ASP  18           H        ASP  18   5.366  -1.893  12.792
  829    HA   ASP  18           HA       ASP  18   3.876   0.653  12.592
  830    HB2  ASP  18           HB2      ASP  18   6.139  -0.668  11.044
  831    HB3  ASP  18           HB3      ASP  18   5.295   0.741  10.420
  832    H    THR  19           H        THR  19   2.794  -2.271  12.240
  833    HA   THR  19           HA       THR  19   1.559  -2.471   9.675
  834    HB   THR  19           HB       THR  19   1.682  -4.441  11.105
  835    HG1  THR  19           HG1      THR  19  -0.015  -4.409   9.805
  836   HG21  THR  19          HG21      THR  19  -0.121  -3.116  13.112
  837   HG22  THR  19          HG22      THR  19   1.633  -3.325  13.345
  838   HG23  THR  19          HG23      THR  19   0.620  -4.742  13.164
  839    H    LEU  20           H        LEU  20  -0.716  -2.341   9.158
  840    HA   LEU  20           HA       LEU  20  -2.325  -0.280  10.571
  841    HB2  LEU  20           HB2      LEU  20  -1.897   0.319   8.202
  842    HB3  LEU  20           HB3      LEU  20  -2.342  -1.320   7.710
  843    HG   LEU  20           HG       LEU  20  -4.661  -0.870   8.510
  844   HD11  LEU  20          HD11      LEU  20  -4.267   0.916  10.151
  845   HD12  LEU  20          HD12      LEU  20  -5.322   1.511   8.865
  846   HD13  LEU  20          HD13      LEU  20  -3.607   1.971   8.880
  847   HD21  LEU  20          HD21      LEU  20  -3.510   1.087   6.473
  848   HD22  LEU  20          HD22      LEU  20  -5.215   0.596   6.611
  849   HD23  LEU  20          HD23      LEU  20  -3.977  -0.599   6.160
  850    H    ASP  21           H        ASP  21  -3.943  -1.142  11.742
  851    HA   ASP  21           HA       ASP  21  -4.878  -3.901  11.401
  852    HB2  ASP  21           HB2      ASP  21  -6.055  -3.497  13.486
  853    HB3  ASP  21           HB3      ASP  21  -4.320  -3.257  13.612
  854    H    LEU  22           H        LEU  22  -6.316  -4.211   9.901
  855    HA   LEU  22           HA       LEU  22  -8.160  -2.149   8.907
  856    HB2  LEU  22           HB2      LEU  22  -7.202  -4.850   8.080
  857    HB3  LEU  22           HB3      LEU  22  -8.881  -4.526   7.676
  858    HG   LEU  22           HG       LEU  22  -8.281  -2.568   6.379
  859   HD11  LEU  22          HD11      LEU  22  -6.474  -1.567   7.470
  860   HD12  LEU  22          HD12      LEU  22  -5.729  -2.232   6.008
  861   HD13  LEU  22          HD13      LEU  22  -5.542  -3.080   7.557
  862   HD21  LEU  22          HD21      LEU  22  -6.486  -4.966   5.853
  863   HD22  LEU  22          HD22      LEU  22  -6.903  -3.717   4.663
  864   HD23  LEU  22          HD23      LEU  22  -8.182  -4.742   5.316
  865    H    ASN  23           H        ASN  23  -8.474  -4.906  11.089
  866    HA   ASN  23           HA       ASN  23 -11.197  -5.445  10.846
  867    HB2  ASN  23           HB2      ASN  23 -10.993  -6.184  13.251
  868    HB3  ASN  23           HB3      ASN  23  -9.977  -6.985  12.068
  869   HD21  ASN  23          HD21      ASN  23  -7.777  -6.973  12.371
  870   HD22  ASN  23          HD22      ASN  23  -6.986  -6.065  13.681
  871    H    THR  24           H        THR  24 -12.784  -4.320  11.028
  872    HA   THR  24           HA       THR  24 -13.198  -2.106  12.949
  873    HB   THR  24           HB       THR  24 -11.847  -1.272  11.058
  874    HG1  THR  24           HG1      THR  24 -13.195   0.173  12.100
  875   HG21  THR  24          HG21      THR  24 -12.774  -1.046   8.844
  876   HG22  THR  24          HG22      THR  24 -12.854  -2.752   9.308
  877   HG23  THR  24          HG23      THR  24 -14.322  -1.764   9.349
  878    HA   PRO  25           HA       PRO  25 -17.368  -2.811  10.775
  879    HB2  PRO  25           HB2      PRO  25 -18.175  -5.339  10.126
  880    HB3  PRO  25           HB3      PRO  25 -17.249  -4.283   9.016
  881    HG2  PRO  25           HG2      PRO  25 -16.212  -6.531  10.745
  882    HG3  PRO  25           HG3      PRO  25 -15.782  -6.126   9.057
  883    HD2  PRO  25           HD2      PRO  25 -14.293  -5.423  11.241
  884    HD3  PRO  25           HD3      PRO  25 -14.307  -4.491   9.707
  885    H    VAL  26           H        VAL  26 -18.931  -2.639  12.224
  886    HA   VAL  26           HA       VAL  26 -19.144  -4.478  14.541
  887    HB   VAL  26           HB       VAL  26 -17.492  -2.677  14.972
  888   HG11  VAL  26          HG11      VAL  26 -19.804  -0.716  14.813
  889   HG12  VAL  26          HG12      VAL  26 -18.438  -0.831  13.681
  890   HG13  VAL  26          HG13      VAL  26 -18.154  -0.376  15.364
  891   HG21  VAL  26          HG21      VAL  26 -18.193  -2.075  17.168
  892   HG22  VAL  26          HG22      VAL  26 -18.696  -3.738  16.826
  893   HG23  VAL  26          HG23      VAL  26 -19.889  -2.420  16.803
  894    H    ASP  27           H        ASP  27 -20.790  -4.327  12.343
  895    HA   ASP  27           HA       ASP  27 -23.375  -3.779  13.657
  896    HB2  ASP  27           HB2      ASP  27 -24.305  -2.480  11.904
  897    HB3  ASP  27           HB3      ASP  27 -22.835  -1.685  12.445
  898    H    LYS  28           H        LYS  28 -22.002  -4.928  10.526
  899    HA   LYS  28           HA       LYS  28 -23.645  -7.428  10.744
  900    HB2  LYS  28           HB2      LYS  28 -23.562  -5.591   8.314
  901    HB3  LYS  28           HB3      LYS  28 -24.270  -7.214   8.358
  902    HG2  LYS  28           HG2      LYS  28 -25.850  -6.458  10.139
  903    HG3  LYS  28           HG3      LYS  28 -25.230  -4.813   9.957
  904    HD2  LYS  28           HD2      LYS  28 -26.633  -6.437   7.796
  905    HD3  LYS  28           HD3      LYS  28 -27.336  -5.130   8.760
  906    HE2  LYS  28           HE2      LYS  28 -25.597  -3.568   7.843
  907    HE3  LYS  28           HE3      LYS  28 -25.031  -4.864   6.780
  908    HZ1  LYS  28           HZ1      LYS  28 -27.169  -4.892   5.711
  909    HZ2  LYS  28           HZ2      LYS  28 -27.798  -3.781   6.763
  910    HZ3  LYS  28           HZ3      LYS  28 -26.610  -3.351   5.703
  911    HN1  NH2  29           HN1      NH2  29 -20.357  -8.642  10.203
  912    HN2  NH2  29           HN2      NH2  29 -21.613  -8.336  11.385
  Start of MODEL   22
    1    H1   ASN  31           H1       ASN  31  14.105  12.117 -13.934
    2    H2   ASN  31           H2       ASN  31  14.689  13.523 -14.542
    3    H3   ASN  31           H3       ASN  31  14.512  13.345 -12.909
    4    HA   ASN  31           HA       ASN  31  12.140  13.075 -13.188
    5    HB2  ASN  31           HB2      ASN  31  11.592  15.414 -13.496
    6    HB3  ASN  31           HB3      ASN  31  13.011  15.254 -12.481
    7   HD21  ASN  31          HD21      ASN  31  11.885  17.424 -14.461
    8   HD22  ASN  31          HD22      ASN  31  13.355  17.896 -15.284
    9    H    SER  32           H        SER  32  10.919  11.954 -14.549
   10    HA   SER  32           HA       SER  32  11.017  12.514 -17.495
   11    HB2  SER  32           HB2      SER  32  12.620  10.682 -16.563
   12    HB3  SER  32           HB3      SER  32  11.152   9.711 -16.369
   13    HG   SER  32           HG       SER  32  12.065   9.311 -18.341
   14    H    GLY  33           H        GLY  33   8.941  12.809 -15.205
   15    HA2  GLY  33           HA2      GLY  33   6.575  12.880 -15.477
   16    HA3  GLY  33           HA3      GLY  33   6.629  11.468 -16.535
   17    H    LEU  34           H        LEU  34   4.923  11.748 -14.295
   18    HA   LEU  34           HA       LEU  34   5.650   9.341 -12.767
   19    HB2  LEU  34           HB2      LEU  34   4.860  12.012 -11.525
   20    HB3  LEU  34           HB3      LEU  34   4.812  10.496 -10.648
   21    HG   LEU  34           HG       LEU  34   7.332  11.797 -11.761
   22   HD11  LEU  34          HD11      LEU  34   7.843  12.202  -9.383
   23   HD12  LEU  34          HD12      LEU  34   6.277  11.500  -8.922
   24   HD13  LEU  34          HD13      LEU  34   6.340  13.008  -9.868
   25   HD21  LEU  34          HD21      LEU  34   8.534  10.129 -10.417
   26   HD22  LEU  34          HD22      LEU  34   7.554   9.309 -11.633
   27   HD23  LEU  34          HD23      LEU  34   7.005   9.363  -9.946
   28    HA   PRO  35           HA       PRO  35   1.334   8.599 -13.515
   29    HB2  PRO  35           HB2      PRO  35   0.764   6.616 -11.738
   30    HB3  PRO  35           HB3      PRO  35   1.961   6.404 -13.054
   31    HG2  PRO  35           HG2      PRO  35   2.534   7.152 -10.178
   32    HG3  PRO  35           HG3      PRO  35   3.235   5.821 -11.163
   33    HD2  PRO  35           HD2      PRO  35   4.476   8.239 -10.922
   34    HD3  PRO  35           HD3      PRO  35   4.520   7.318 -12.453
   35    H    THR  36           H        THR  36  -0.800   8.401 -12.418
   36    HA   THR  36           HA       THR  36  -1.208  10.082  -9.966
   37    HB   THR  36           HB       THR  36  -3.109  11.152 -11.179
   38    HG1  THR  36           HG1      THR  36  -3.446  10.724 -13.233
   39   HG21  THR  36          HG21      THR  36  -0.483  11.632 -12.645
   40   HG22  THR  36          HG22      THR  36  -0.879  12.302 -11.041
   41   HG23  THR  36          HG23      THR  36  -1.852  12.747 -12.453
   42    H    THR  37           H        THR  37  -2.145   7.133 -11.565
   43    HA   THR  37           HA       THR  37  -4.624   7.119  -9.918
   44    HB   THR  37           HB       THR  37  -5.773   5.858 -11.631
   45    HG1  THR  37           HG1      THR  37  -4.907   5.636 -13.647
   46   HG21  THR  37          HG21      THR  37  -5.972   8.326 -11.611
   47   HG22  THR  37          HG22      THR  37  -6.189   7.613 -13.218
   48   HG23  THR  37          HG23      THR  37  -4.663   8.419 -12.815
   49    H    LEU  38           H        LEU  38  -5.490   5.207  -9.177
   50    HA   LEU  38           HA       LEU  38  -3.566   3.566  -7.966
   51    HB2  LEU  38           HB2      LEU  38  -6.210   4.074  -7.616
   52    HB3  LEU  38           HB3      LEU  38  -6.304   2.456  -8.306
   53    HG   LEU  38           HG       LEU  38  -4.872   3.324  -5.776
   54   HD11  LEU  38          HD11      LEU  38  -7.305   1.548  -6.255
   55   HD12  LEU  38          HD12      LEU  38  -7.321   3.197  -5.597
   56   HD13  LEU  38          HD13      LEU  38  -6.568   1.887  -4.675
   57   HD21  LEU  38          HD21      LEU  38  -4.544   0.874  -5.344
   58   HD22  LEU  38          HD22      LEU  38  -3.560   1.487  -6.668
   59   HD23  LEU  38          HD23      LEU  38  -5.033   0.550  -7.021
   60    H    GLY  39           H        GLY  39  -5.234   3.011 -11.073
   61    HA2  GLY  39           HA2      GLY  39  -4.719   0.284 -11.521
   62    HA3  GLY  39           HA3      GLY  39  -4.750   1.534 -12.774
   63    H    LYS  40           H        LYS  40  -2.471   3.014 -12.006
   64    HA   LYS  40           HA       LYS  40  -0.289   1.305 -12.993
   65    HB2  LYS  40           HB2      LYS  40  -0.339   4.209 -12.076
   66    HB3  LYS  40           HB3      LYS  40   1.048   3.381 -12.799
   67    HG2  LYS  40           HG2      LYS  40  -0.375   2.925 -14.854
   68    HG3  LYS  40           HG3      LYS  40  -1.630   3.966 -14.144
   69    HD2  LYS  40           HD2      LYS  40  -0.014   5.843 -14.055
   70    HD3  LYS  40           HD3      LYS  40   1.243   4.791 -14.725
   71    HE2  LYS  40           HE2      LYS  40   0.536   6.099 -16.515
   72    HE3  LYS  40           HE3      LYS  40  -0.222   4.524 -16.791
   73    HZ1  LYS  40           HZ1      LYS  40  -2.310   5.426 -16.090
   74    HZ2  LYS  40           HZ2      LYS  40  -1.621   6.779 -15.450
   75    HZ3  LYS  40           HZ3      LYS  40  -1.645   6.577 -17.069
   76    H    LEU  41           H        LEU  41  -1.181   2.770  -9.864
   77    HA   LEU  41           HA       LEU  41   1.286   2.015  -8.579
   78    HB2  LEU  41           HB2      LEU  41  -0.070   3.844  -7.740
   79    HB3  LEU  41           HB3      LEU  41  -1.433   2.755  -7.444
   80    HG   LEU  41           HG       LEU  41  -0.174   1.566  -5.718
   81   HD11  LEU  41          HD11      LEU  41   1.962   2.357  -4.890
   82   HD12  LEU  41          HD12      LEU  41   2.074   3.578  -6.183
   83   HD13  LEU  41          HD13      LEU  41   2.161   1.835  -6.551
   84   HD21  LEU  41          HD21      LEU  41   0.005   3.335  -4.055
   85   HD22  LEU  41          HD22      LEU  41  -1.455   3.537  -5.062
   86   HD23  LEU  41          HD23      LEU  41  -0.033   4.572  -5.337
   87    H    ASP  42           H        ASP  42  -1.922   0.390  -8.696
   88    HA   ASP  42           HA       ASP  42  -1.298  -1.895  -7.090
   89    HB2  ASP  42           HB2      ASP  42  -3.571  -1.420  -7.758
   90    HB3  ASP  42           HB3      ASP  42  -3.134  -1.388  -9.467
   91    H    GLU  43           H        GLU  43  -0.690  -1.296 -10.534
   92    HA   GLU  43           HA       GLU  43   0.443  -3.885 -11.075
   93    HB2  GLU  43           HB2      GLU  43  -0.424  -2.316 -12.764
   94    HB3  GLU  43           HB3      GLU  43   0.913  -1.205 -12.459
   95    HG2  GLU  43           HG2      GLU  43   2.508  -2.697 -13.404
   96    HG3  GLU  43           HG3      GLU  43   1.411  -4.080 -13.275
   97    H    ARG  44           H        ARG  44   1.923  -0.819  -9.922
   98    HA   ARG  44           HA       ARG  44   4.623  -1.868  -9.787
   99    HB2  ARG  44           HB2      ARG  44   3.828   0.605  -9.724
  100    HB3  ARG  44           HB3      ARG  44   3.570   0.329  -7.994
  101    HG2  ARG  44           HG2      ARG  44   5.993  -0.570  -7.927
  102    HG3  ARG  44           HG3      ARG  44   6.169   0.021  -9.574
  103    HD2  ARG  44           HD2      ARG  44   5.503   1.639  -7.096
  104    HD3  ARG  44           HD3      ARG  44   7.066   1.588  -7.928
  105    HE   ARG  44           HE       ARG  44   5.614   2.518  -9.938
  106   HH11  ARG  44          HH11      ARG  44   5.362   3.542  -6.555
  107   HH12  ARG  44          HH12      ARG  44   4.657   5.077  -7.009
  108   HH21  ARG  44          HH21      ARG  44   4.779   4.501 -10.375
  109   HH22  ARG  44          HH22      ARG  44   4.665   5.706  -9.078
  110    H    LEU  45           H        LEU  45   1.992  -1.706  -7.333
  111    HA   LEU  45           HA       LEU  45   3.588  -2.818  -5.207
  112    HB2  LEU  45           HB2      LEU  45   0.593  -2.559  -5.630
  113    HB3  LEU  45           HB3      LEU  45   1.304  -3.160  -4.137
  114    HG   LEU  45           HG       LEU  45   1.903  -0.395  -5.283
  115   HD11  LEU  45          HD11      LEU  45   0.402   0.430  -3.510
  116   HD12  LEU  45          HD12      LEU  45  -0.009  -1.242  -3.078
  117   HD13  LEU  45          HD13      LEU  45  -0.464  -0.601  -4.668
  118   HD21  LEU  45          HD21      LEU  45   2.439  -1.563  -2.526
  119   HD22  LEU  45          HD22      LEU  45   2.724   0.111  -3.027
  120   HD23  LEU  45          HD23      LEU  45   3.667  -1.187  -3.753
  121    H    ARG  46           H        ARG  46   1.511  -4.436  -7.636
  122    HA   ARG  46           HA       ARG  46   1.932  -7.090  -6.478
  123    HB2  ARG  46           HB2      ARG  46   1.115  -6.192  -9.270
  124    HB3  ARG  46           HB3      ARG  46   1.229  -7.888  -8.764
  125    HG2  ARG  46           HG2      ARG  46  -0.429  -7.490  -6.961
  126    HG3  ARG  46           HG3      ARG  46  -0.534  -5.793  -7.421
  127    HD2  ARG  46           HD2      ARG  46  -1.259  -6.666  -9.757
  128    HD3  ARG  46           HD3      ARG  46  -1.535  -8.214  -8.947
  129    HE   ARG  46           HE       ARG  46  -2.831  -5.579  -8.241
  130   HH11  ARG  46          HH11      ARG  46  -3.365  -9.110  -8.400
  131   HH12  ARG  46          HH12      ARG  46  -5.004  -8.845  -7.823
  132   HH21  ARG  46          HH21      ARG  46  -4.695  -5.477  -7.457
  133   HH22  ARG  46          HH22      ARG  46  -5.722  -6.911  -7.190
  134    H    ASN  47           H        ASN  47   3.795  -5.078  -8.749
  135    HA   ASN  47           HA       ASN  47   5.858  -7.112  -9.174
  136    HB2  ASN  47           HB2      ASN  47   5.723  -4.107  -9.585
  137    HB3  ASN  47           HB3      ASN  47   7.261  -4.942  -9.634
  138   HD21  ASN  47          HD21      ASN  47   4.225  -4.444 -11.322
  139   HD22  ASN  47          HD22      ASN  47   4.778  -5.192 -12.814
  140    H    TYR  48           H        TYR  48   5.630  -4.386  -6.788
  141    HA   TYR  48           HA       TYR  48   7.933  -5.020  -5.338
  142    HB2  TYR  48           HB2      TYR  48   5.345  -3.776  -4.514
  143    HB3  TYR  48           HB3      TYR  48   6.588  -4.088  -3.418
  144    HD1  TYR  48           HD1      TYR  48   8.903  -3.115  -3.846
  145    HD2  TYR  48           HD2      TYR  48   5.245  -1.500  -5.358
  146    HE1  TYR  48           HE1      TYR  48   9.979  -0.876  -3.974
  147    HE2  TYR  48           HE2      TYR  48   6.233   0.779  -5.284
  148    HH   TYR  48           HH       TYR  48   9.694   1.259  -4.642
  149    H    LEU  49           H        LEU  49   4.721  -6.572  -4.992
  150    HA   LEU  49           HA       LEU  49   5.514  -8.094  -2.690
  151    HB2  LEU  49           HB2      LEU  49   3.312  -8.164  -4.730
  152    HB3  LEU  49           HB3      LEU  49   3.671  -9.722  -4.008
  153    HG   LEU  49           HG       LEU  49   3.129  -7.240  -2.363
  154   HD11  LEU  49          HD11      LEU  49   1.272  -9.528  -3.190
  155   HD12  LEU  49          HD12      LEU  49   1.123  -7.821  -3.674
  156   HD13  LEU  49          HD13      LEU  49   0.890  -8.291  -1.980
  157   HD21  LEU  49          HD21      LEU  49   3.167 -10.197  -1.639
  158   HD22  LEU  49          HD22      LEU  49   2.694  -8.866  -0.552
  159   HD23  LEU  49          HD23      LEU  49   4.343  -8.970  -1.145
  160    H    LYS  50           H        LYS  50   5.629  -8.999  -6.157
  161    HA   LYS  50           HA       LYS  50   6.751 -11.604  -5.600
  162    HB2  LYS  50           HB2      LYS  50   6.977  -9.964  -8.148
  163    HB3  LYS  50           HB3      LYS  50   7.265 -11.705  -7.921
  164    HG2  LYS  50           HG2      LYS  50   4.911 -12.078  -7.356
  165    HG3  LYS  50           HG3      LYS  50   4.555 -10.362  -7.531
  166    HD2  LYS  50           HD2      LYS  50   5.507 -12.225  -9.727
  167    HD3  LYS  50           HD3      LYS  50   3.859 -11.640  -9.512
  168    HE2  LYS  50           HE2      LYS  50   4.571  -9.343  -9.983
  169    HE3  LYS  50           HE3      LYS  50   6.266  -9.843 -10.078
  170    HZ1  LYS  50           HZ1      LYS  50   5.251  -9.670 -12.278
  171    HZ2  LYS  50           HZ2      LYS  50   4.120 -10.801 -11.886
  172    HZ3  LYS  50           HZ3      LYS  50   5.712 -11.219 -11.999
  173    H    LYS  51           H        LYS  51   8.337  -8.498  -6.464
  174    HA   LYS  51           HA       LYS  51  11.055  -9.510  -6.278
  175    HB2  LYS  51           HB2      LYS  51   9.760  -6.825  -6.376
  176    HB3  LYS  51           HB3      LYS  51  11.330  -6.933  -5.560
  177    HG2  LYS  51           HG2      LYS  51  12.297  -8.010  -7.531
  178    HG3  LYS  51           HG3      LYS  51  10.772  -7.770  -8.419
  179    HD2  LYS  51           HD2      LYS  51  10.986  -5.418  -8.312
  180    HD3  LYS  51           HD3      LYS  51  12.267  -5.463  -7.104
  181    HE2  LYS  51           HE2      LYS  51  12.539  -6.351 -10.003
  182    HE3  LYS  51           HE3      LYS  51  13.071  -4.811  -9.314
  183    HZ1  LYS  51           HZ1      LYS  51  14.495  -6.186  -7.763
  184    HZ2  LYS  51           HZ2      LYS  51  14.965  -6.191  -9.333
  185    HZ3  LYS  51           HZ3      LYS  51  14.183  -7.490  -8.701
  186    H    GLY  52           H        GLY  52   8.833  -8.163  -3.803
  187    HA2  GLY  52           HA2      GLY  52  11.094  -7.901  -1.981
  188    HA3  GLY  52           HA3      GLY  52   9.497  -7.198  -1.825
  189    H    THR  53           H        THR  53   8.499 -10.220  -2.256
  190    HA   THR  53           HA       THR  53   9.020 -11.145   0.535
  191    HB   THR  53           HB       THR  53   6.881 -12.089   0.587
  192    HG1  THR  53           HG1      THR  53   6.555 -11.199  -2.137
  193   HG21  THR  53          HG21      THR  53   5.402 -10.229   0.482
  194   HG22  THR  53          HG22      THR  53   6.485  -9.365  -0.644
  195   HG23  THR  53          HG23      THR  53   6.984  -9.672   1.029
  196    H    LYS  54           H        LYS  54   9.155 -13.363   0.950
  197    HA   LYS  54           HA       LYS  54  10.567 -14.880  -1.036
  198    HB2  LYS  54           HB2      LYS  54   9.438 -15.719   1.652
  199    HB3  LYS  54           HB3      LYS  54  10.582 -16.662   0.704
  200    HG2  LYS  54           HG2      LYS  54  12.341 -15.064   1.026
  201    HG3  LYS  54           HG3      LYS  54  11.231 -13.830   1.635
  202    HD2  LYS  54           HD2      LYS  54  10.690 -15.282   3.582
  203    HD3  LYS  54           HD3      LYS  54  11.947 -16.425   3.050
  204    HE2  LYS  54           HE2      LYS  54  13.667 -14.729   3.321
  205    HE3  LYS  54           HE3      LYS  54  12.460 -13.462   3.565
  206    HZ1  LYS  54           HZ1      LYS  54  12.941 -15.722   5.423
  207    HZ2  LYS  54           HZ2      LYS  54  11.820 -14.562   5.649
  208    HZ3  LYS  54           HZ3      LYS  54  13.396 -14.159   5.674
  209    H    ASN  55           H        ASN  55   7.203 -14.930   0.112
  210    HA   ASN  55           HA       ASN  55   6.451 -16.125  -2.449
  211    HB2  ASN  55           HB2      ASN  55   6.547 -18.102  -0.964
  212    HB3  ASN  55           HB3      ASN  55   5.601 -17.254   0.268
  213   HD21  ASN  55          HD21      ASN  55   3.964 -18.974   0.226
  214   HD22  ASN  55          HD22      ASN  55   2.906 -19.104  -1.157
  215    H    SER  56           H        SER  56   5.299 -14.529  -3.269
  216    HA   SER  56           HA       SER  56   3.595 -12.739  -1.845
  217    HB2  SER  56           HB2      SER  56   2.886 -12.050  -4.132
  218    HB3  SER  56           HB3      SER  56   4.644 -12.143  -3.934
  219    HG   SER  56           HG       SER  56   2.904 -13.849  -5.374
  220    H    ALA  57           H        ALA  57   2.868 -16.014  -2.883
  221    HA   ALA  57           HA       ALA  57   0.163 -15.512  -3.685
  222    HB1  ALA  57           HB1      ALA  57   0.035 -17.949  -3.869
  223    HB2  ALA  57           HB2      ALA  57   1.520 -18.124  -2.914
  224    HB3  ALA  57           HB3      ALA  57   1.575 -17.366  -4.521
  225    H    GLN  58           H        GLN  58   1.311 -15.526  -0.515
  226    HA   GLN  58           HA       GLN  58  -0.981 -16.840   0.740
  227    HB2  GLN  58           HB2      GLN  58   0.172 -16.265   2.824
  228    HB3  GLN  58           HB3      GLN  58   1.247 -17.070   1.681
  229    HG2  GLN  58           HG2      GLN  58   2.220 -14.839   1.057
  230    HG3  GLN  58           HG3      GLN  58   1.203 -14.058   2.244
  231   HE21  GLN  58          HE21      GLN  58   4.283 -14.970   1.707
  232   HE22  GLN  58          HE22      GLN  58   4.715 -15.503   3.324
  233    H    PHE  59           H        PHE  59  -0.380 -13.629  -0.386
  234    HA   PHE  59           HA       PHE  59  -1.906 -12.278   1.699
  235    HB2  PHE  59           HB2      PHE  59  -0.687 -11.244  -0.854
  236    HB3  PHE  59           HB3      PHE  59  -1.450 -10.257   0.389
  237    HD1  PHE  59           HD1      PHE  59  -0.458 -10.211   2.750
  238    HD2  PHE  59           HD2      PHE  59   1.613 -11.973  -0.573
  239    HE1  PHE  59           HE1      PHE  59   1.655 -10.174   4.047
  240    HE2  PHE  59           HE2      PHE  59   3.718 -11.984   0.735
  241    HZ   PHE  59           HZ       PHE  59   3.747 -11.056   3.033
  242    H    GLU  60           H        GLU  60  -3.844 -11.033   1.420
  243    HA   GLU  60           HA       GLU  60  -5.634 -12.066  -0.772
  244    HB2  GLU  60           HB2      GLU  60  -7.521 -11.961   0.696
  245    HB3  GLU  60           HB3      GLU  60  -6.301 -13.074   1.311
  246    HG2  GLU  60           HG2      GLU  60  -5.605 -11.527   2.985
  247    HG3  GLU  60           HG3      GLU  60  -6.530 -10.213   2.301
  248    H    LYS  61           H        LYS  61  -4.664  -9.271   1.100
  249    HA   LYS  61           HA       LYS  61  -5.629  -7.472  -0.957
  250    HB2  LYS  61           HB2      LYS  61  -7.120  -6.148   0.347
  251    HB3  LYS  61           HB3      LYS  61  -7.689  -7.801   0.402
  252    HG2  LYS  61           HG2      LYS  61  -6.880  -8.040   2.723
  253    HG3  LYS  61           HG3      LYS  61  -6.144  -6.440   2.659
  254    HD2  LYS  61           HD2      LYS  61  -8.134  -5.326   2.764
  255    HD3  LYS  61           HD3      LYS  61  -9.049  -6.571   1.938
  256    HE2  LYS  61           HE2      LYS  61  -7.937  -7.055   4.719
  257    HE3  LYS  61           HE3      LYS  61  -9.416  -6.131   4.494
  258    HZ1  LYS  61           HZ1      LYS  61  -9.023  -8.974   3.725
  259    HZ2  LYS  61           HZ2      LYS  61 -10.368  -8.069   3.326
  260    HZ3  LYS  61           HZ3      LYS  61  -9.985  -8.383   4.883
  261    H    MET  62           H        MET  62  -5.266  -5.237  -0.350
  262    HA   MET  62           HA       MET  62  -3.079  -4.667   1.521
  263    HB2  MET  62           HB2      MET  62  -1.668  -3.594  -0.145
  264    HB3  MET  62           HB3      MET  62  -1.928  -5.286  -0.564
  265    HG2  MET  62           HG2      MET  62  -3.621  -4.635  -2.240
  266    HG3  MET  62           HG3      MET  62  -3.394  -2.933  -1.817
  267    HE1  MET  62           HE1      MET  62  -3.262  -4.116  -4.770
  268    HE2  MET  62           HE2      MET  62  -1.865  -3.252  -5.427
  269    HE3  MET  62           HE3      MET  62  -3.040  -2.387  -4.408
  270    H    VAL  63           H        VAL  63  -2.756  -2.388   1.872
  271    HA   VAL  63           HA       VAL  63  -4.878  -0.551   0.940
  272    HB   VAL  63           HB       VAL  63  -5.730  -1.629   3.001
  273   HG11  VAL  63          HG11      VAL  63  -3.591  -0.298   4.618
  274   HG12  VAL  63          HG12      VAL  63  -3.346  -1.904   3.938
  275   HG13  VAL  63          HG13      VAL  63  -4.722  -1.648   5.000
  276   HG21  VAL  63          HG21      VAL  63  -5.029   1.294   3.466
  277   HG22  VAL  63          HG22      VAL  63  -6.251   0.345   4.335
  278   HG23  VAL  63          HG23      VAL  63  -6.461   0.671   2.613
  279    H    ILE  64           H        ILE  64  -4.260   1.531   0.835
  280    HA   ILE  64           HA       ILE  64  -1.299   2.009   0.954
  281    HB   ILE  64           HB       ILE  64  -3.389   2.812  -1.107
  282   HG12  ILE  64          HG12      ILE  64  -1.172   0.784  -1.573
  283   HG13  ILE  64          HG13      ILE  64  -2.783   0.294  -1.062
  284   HG21  ILE  64          HG21      ILE  64  -1.457   4.408  -0.925
  285   HG22  ILE  64          HG22      ILE  64  -1.550   3.605  -2.475
  286   HG23  ILE  64          HG23      ILE  64  -0.352   3.060  -1.277
  287   HD11  ILE  64          HD11      ILE  64  -2.119   1.716  -3.649
  288   HD12  ILE  64          HD12      ILE  64  -3.769   1.405  -3.055
  289   HD13  ILE  64          HD13      ILE  64  -2.682   0.054  -3.424
  290    H    LEU  65           H        LEU  65  -0.657   3.882   1.901
  291    HA   LEU  65           HA       LEU  65  -2.685   6.010   2.445
  292    HB2  LEU  65           HB2      LEU  65  -0.294   5.424   4.207
  293    HB3  LEU  65           HB3      LEU  65  -1.629   6.529   4.504
  294    HG   LEU  65           HG       LEU  65  -1.744   3.496   4.587
  295   HD11  LEU  65          HD11      LEU  65  -2.223   3.824   6.961
  296   HD12  LEU  65          HD12      LEU  65  -2.222   5.586   6.758
  297   HD13  LEU  65          HD13      LEU  65  -0.715   4.682   6.557
  298   HD21  LEU  65          HD21      LEU  65  -3.908   4.306   3.738
  299   HD22  LEU  65          HD22      LEU  65  -3.963   5.544   5.007
  300   HD23  LEU  65          HD23      LEU  65  -4.067   3.814   5.423
  301    H    THR  66           H        THR  66  -2.272   7.822   1.362
  302    HA   THR  66           HA       THR  66   0.495   8.308   0.288
  303    HB   THR  66           HB       THR  66  -0.556   9.636  -1.450
  304    HG1  THR  66           HG1      THR  66  -2.364  10.392  -0.375
  305   HG21  THR  66          HG21      THR  66  -0.322   7.195  -1.848
  306   HG22  THR  66          HG22      THR  66  -1.687   7.919  -2.720
  307   HG23  THR  66          HG23      THR  66  -1.988   6.960  -1.258
  308    H    GLU  67           H        GLU  67   0.926  10.769  -0.172
  309    HA   GLU  67           HA       GLU  67   0.509  12.476   2.069
  310    HB2  GLU  67           HB2      GLU  67   0.439  13.602  -0.711
  311    HB3  GLU  67           HB3      GLU  67   1.074  14.314   0.744
  312    HG2  GLU  67           HG2      GLU  67   3.082  13.012   0.640
  313    HG3  GLU  67           HG3      GLU  67   2.429  11.970  -0.639
  314    H    ASN  68           H        ASN  68  -0.819  14.573   1.791
  315    HA   ASN  68           HA       ASN  68  -2.849  15.526   2.087
  316    HB2  ASN  68           HB2      ASN  68  -3.220  14.269  -0.651
  317    HB3  ASN  68           HB3      ASN  68  -4.296  15.484  -0.021
  318   HD21  ASN  68          HD21      ASN  68  -1.471  14.962  -1.772
  319   HD22  ASN  68          HD22      ASN  68  -0.723  16.544  -1.577
  320    H    LYS  69           H        LYS  69  -2.617  12.942   3.343
  321    HA   LYS  69           HA       LYS  69  -3.806  11.504   4.579
  322    HB2  LYS  69           HB2      LYS  69  -6.027  13.563   4.294
  323    HB3  LYS  69           HB3      LYS  69  -5.888  12.335   5.561
  324    HG2  LYS  69           HG2      LYS  69  -3.724  13.307   6.290
  325    HG3  LYS  69           HG3      LYS  69  -3.847  14.559   5.062
  326    HD2  LYS  69           HD2      LYS  69  -5.689  14.238   7.452
  327    HD3  LYS  69           HD3      LYS  69  -4.383  15.421   7.226
  328    HE2  LYS  69           HE2      LYS  69  -5.634  16.220   5.146
  329    HE3  LYS  69           HE3      LYS  69  -7.012  15.261   5.704
  330    HZ1  LYS  69           HZ1      LYS  69  -7.104  17.589   6.429
  331    HZ2  LYS  69           HZ2      LYS  69  -5.694  17.437   7.253
  332    HZ3  LYS  69           HZ3      LYS  69  -7.061  16.601   7.724
  333    H    GLY  70           H        GLY  70  -3.881  11.076   1.652
  334    HA2  GLY  70           HA2      GLY  70  -6.366   9.801   0.972
  335    HA3  GLY  70           HA3      GLY  70  -4.819   9.524   0.189
  336    H    TYR  71           H        TYR  71  -7.036   7.779   1.071
  337    HA   TYR  71           HA       TYR  71  -5.469   5.541   2.202
  338    HB2  TYR  71           HB2      TYR  71  -6.600   6.530   4.130
  339    HB3  TYR  71           HB3      TYR  71  -8.136   6.529   3.286
  340    HD1  TYR  71           HD1      TYR  71  -9.064   4.129   2.557
  341    HD2  TYR  71           HD2      TYR  71  -6.174   4.797   5.706
  342    HE1  TYR  71           HE1      TYR  71  -9.743   2.005   3.656
  343    HE2  TYR  71           HE2      TYR  71  -6.904   2.738   6.809
  344    HH   TYR  71           HH       TYR  71  -8.493   1.147   6.883
  345    H    TYR  72           H        TYR  72  -5.801   3.819   0.899
  346    HA   TYR  72           HA       TYR  72  -8.336   3.481  -0.649
  347    HB2  TYR  72           HB2      TYR  72  -5.559   3.286  -1.879
  348    HB3  TYR  72           HB3      TYR  72  -7.100   3.108  -2.695
  349    HD1  TYR  72           HD1      TYR  72  -8.514   5.092  -3.190
  350    HD2  TYR  72           HD2      TYR  72  -4.615   5.475  -1.378
  351    HE1  TYR  72           HE1      TYR  72  -8.477   7.510  -3.775
  352    HE2  TYR  72           HE2      TYR  72  -4.585   7.904  -1.961
  353    HH   TYR  72           HH       TYR  72  -7.322   9.447  -3.675
  354    H    THR  73           H        THR  73  -8.850   1.281  -1.043
  355    HA   THR  73           HA       THR  73  -6.917  -0.774  -0.008
  356    HB   THR  73           HB       THR  73  -8.469  -0.456   1.750
  357    HG1  THR  73           HG1      THR  73  -9.499  -2.538   1.706
  358   HG21  THR  73          HG21      THR  73 -10.748  -0.933  -0.215
  359   HG22  THR  73          HG22      THR  73 -10.366   0.608   0.590
  360   HG23  THR  73          HG23      THR  73 -10.883  -0.765   1.551
  361    H    VAL  74           H        VAL  74  -6.795  -2.698  -1.035
  362    HA   VAL  74           HA       VAL  74  -8.387  -3.180  -3.519
  363    HB   VAL  74           HB       VAL  74  -5.359  -2.862  -3.363
  364   HG11  VAL  74          HG11      VAL  74  -5.395  -3.461  -5.802
  365   HG12  VAL  74          HG12      VAL  74  -7.075  -4.016  -5.598
  366   HG13  VAL  74          HG13      VAL  74  -5.735  -4.810  -4.736
  367   HG21  VAL  74          HG21      VAL  74  -6.477  -0.730  -3.718
  368   HG22  VAL  74          HG22      VAL  74  -7.491  -1.427  -5.001
  369   HG23  VAL  74          HG23      VAL  74  -5.739  -1.249  -5.233
  370    H    TYR  75           H        TYR  75  -8.927  -5.304  -3.676
  371    HA   TYR  75           HA       TYR  75  -7.594  -7.282  -1.953
  372    HB2  TYR  75           HB2      TYR  75  -9.962  -7.378  -3.802
  373    HB3  TYR  75           HB3      TYR  75  -9.174  -8.857  -3.270
  374    HD1  TYR  75           HD1      TYR  75 -10.760  -5.721  -1.946
  375    HD2  TYR  75           HD2      TYR  75  -9.505  -9.756  -1.080
  376    HE1  TYR  75           HE1      TYR  75 -11.809  -5.568   0.287
  377    HE2  TYR  75           HE2      TYR  75 -10.617  -9.622   1.141
  378    HH   TYR  75           HH       TYR  75 -12.394  -6.695   2.190
  379    H    LEU  76           H        LEU  76  -6.330  -8.893  -2.522
  380    HA   LEU  76           HA       LEU  76  -4.910  -8.755  -5.150
  381    HB2  LEU  76           HB2      LEU  76  -4.065  -9.734  -2.392
  382    HB3  LEU  76           HB3      LEU  76  -3.087  -9.916  -3.840
  383    HG   LEU  76           HG       LEU  76  -3.957  -7.213  -2.714
  384   HD11  LEU  76          HD11      LEU  76  -1.357  -8.768  -2.501
  385   HD12  LEU  76          HD12      LEU  76  -2.455  -8.341  -1.169
  386   HD13  LEU  76          HD13      LEU  76  -1.573  -7.066  -2.032
  387   HD21  LEU  76          HD21      LEU  76  -3.491  -7.044  -5.098
  388   HD22  LEU  76          HD22      LEU  76  -2.006  -8.012  -4.924
  389   HD23  LEU  76          HD23      LEU  76  -2.114  -6.387  -4.222
  390    H    ASN  77           H        ASN  77  -7.065 -10.788  -3.356
  391    HA   ASN  77           HA       ASN  77  -6.338 -13.269  -4.669
  392    HB2  ASN  77           HB2      ASN  77  -7.859 -12.990  -2.604
  393    HB3  ASN  77           HB3      ASN  77  -9.126 -12.467  -3.722
  394   HD21  ASN  77          HD21      ASN  77 -10.546 -14.261  -3.874
  395   HD22  ASN  77          HD22      ASN  77  -9.968 -15.906  -4.150
  396    H    THR  78           H        THR  78  -7.379 -10.400  -6.038
  397    HA   THR  78           HA       THR  78  -8.385 -11.621  -8.525
  398    HB   THR  78           HB       THR  78 -10.166  -9.828  -8.562
  399    HG1  THR  78           HG1      THR  78 -10.737  -9.172  -6.304
  400   HG21  THR  78          HG21      THR  78 -10.509 -11.708  -6.193
  401   HG22  THR  78          HG22      THR  78 -10.691 -12.198  -7.892
  402   HG23  THR  78          HG23      THR  78 -11.777 -10.982  -7.203
  403    HA   PRO  79           HA       PRO  79  -6.051  -8.051 -10.208
  404    HB2  PRO  79           HB2      PRO  79  -8.046  -8.111 -12.445
  405    HB3  PRO  79           HB3      PRO  79  -6.258  -8.157 -12.523
  406    HG2  PRO  79           HG2      PRO  79  -7.723 -10.391 -12.981
  407    HG3  PRO  79           HG3      PRO  79  -6.220 -10.479 -11.999
  408    HD2  PRO  79           HD2      PRO  79  -9.079 -10.296 -10.998
  409    HD3  PRO  79           HD3      PRO  79  -7.780 -11.441 -10.530
  410    H    LEU  80           H        LEU  80  -6.366  -5.779 -10.538
  411    HA   LEU  80           HA       LEU  80  -8.693  -4.534  -9.386
  412    HB2  LEU  80           HB2      LEU  80  -6.136  -3.754  -9.718
  413    HB3  LEU  80           HB3      LEU  80  -6.751  -3.125 -11.237
  414    HG   LEU  80           HG       LEU  80  -8.494  -1.836  -9.854
  415   HD11  LEU  80          HD11      LEU  80  -7.900  -1.508  -7.441
  416   HD12  LEU  80          HD12      LEU  80  -6.649  -2.753  -7.618
  417   HD13  LEU  80          HD13      LEU  80  -8.359  -3.190  -7.763
  418   HD21  LEU  80          HD21      LEU  80  -6.910  -0.105  -9.127
  419   HD22  LEU  80          HD22      LEU  80  -6.412  -0.784 -10.686
  420   HD23  LEU  80          HD23      LEU  80  -5.573  -1.268  -9.211
  421    H    ALA  81           H        ALA  81 -10.186  -3.082 -10.493
  422    HA   ALA  81           HA       ALA  81 -10.746  -3.714 -13.359
  423    HB1  ALA  81           HB1      ALA  81 -12.764  -3.503 -11.097
  424    HB2  ALA  81           HB2      ALA  81 -12.204  -5.033 -11.825
  425    HB3  ALA  81           HB3      ALA  81 -13.117  -3.861 -12.793
  426    H    GLU  82           H        GLU  82 -12.196  -2.070 -14.379
  427    HA   GLU  82           HA       GLU  82 -10.725   0.230 -14.485
  428    HB2  GLU  82           HB2      GLU  82 -13.580  -0.172 -15.409
  429    HB3  GLU  82           HB3      GLU  82 -12.591   1.243 -15.811
  430    HG2  GLU  82           HG2      GLU  82 -10.829  -0.317 -16.726
  431    HG3  GLU  82           HG3      GLU  82 -11.950  -1.646 -16.517
  432    H    ASP  83           H        ASP  83 -13.676   0.018 -12.465
  433    HA   ASP  83           HA       ASP  83 -13.782   2.899 -11.977
  434    HB2  ASP  83           HB2      ASP  83 -15.021   0.599 -10.441
  435    HB3  ASP  83           HB3      ASP  83 -15.454   2.302 -10.260
  436    H    ARG  84           H        ARG  84 -11.807   0.440 -10.753
  437    HA   ARG  84           HA       ARG  84 -10.871   1.991  -8.358
  438    HB2  ARG  84           HB2      ARG  84 -10.556  -0.944  -9.152
  439    HB3  ARG  84           HB3      ARG  84  -9.811  -0.178  -7.747
  440    HG2  ARG  84           HG2      ARG  84 -11.998   0.291  -6.774
  441    HG3  ARG  84           HG3      ARG  84 -12.824  -0.371  -8.188
  442    HD2  ARG  84           HD2      ARG  84 -10.876  -2.034  -6.549
  443    HD3  ARG  84           HD3      ARG  84 -12.567  -1.863  -6.074
  444    HE   ARG  84           HE       ARG  84 -13.099  -2.708  -8.459
  445   HH11  ARG  84          HH11      ARG  84 -10.560  -4.072  -6.399
  446   HH12  ARG  84          HH12      ARG  84 -10.363  -5.469  -7.380
  447   HH21  ARG  84          HH21      ARG  84 -13.138  -4.762  -9.354
  448   HH22  ARG  84          HH22      ARG  84 -11.925  -5.924  -8.916
  449    H    LYS  85           H        LYS  85  -9.903   0.652 -11.499
  450    HA   LYS  85           HA       LYS  85  -7.081   1.305 -11.317
  451    HB2  LYS  85           HB2      LYS  85  -9.025   1.008 -13.615
  452    HB3  LYS  85           HB3      LYS  85  -7.324   1.388 -13.876
  453    HG2  LYS  85           HG2      LYS  85  -6.633  -0.729 -12.908
  454    HG3  LYS  85           HG3      LYS  85  -8.319  -1.148 -12.522
  455    HD2  LYS  85           HD2      LYS  85  -8.893  -1.250 -14.883
  456    HD3  LYS  85           HD3      LYS  85  -7.307  -0.609 -15.346
  457    HE2  LYS  85           HE2      LYS  85  -6.186  -2.595 -14.459
  458    HE3  LYS  85           HE3      LYS  85  -7.727  -3.266 -13.898
  459    HZ1  LYS  85           HZ1      LYS  85  -7.182  -2.640 -16.748
  460    HZ2  LYS  85           HZ2      LYS  85  -8.445  -3.481 -16.153
  461    HZ3  LYS  85           HZ3      LYS  85  -6.951  -4.145 -16.076
  462    H    ASN  86           H        ASN  86  -9.893   3.102 -12.565
  463    HA   ASN  86           HA       ASN  86  -8.379   5.408 -13.368
  464    HB2  ASN  86           HB2      ASN  86 -11.352   4.812 -13.002
  465    HB3  ASN  86           HB3      ASN  86 -10.764   6.327 -13.652
  466   HD21  ASN  86          HD21      ASN  86 -12.487   4.816 -15.125
  467   HD22  ASN  86          HD22      ASN  86 -11.592   4.329 -16.579
  468    H    VAL  87           H        VAL  87  -8.769   4.590 -10.225
  469    HA   VAL  87           HA       VAL  87  -9.941   6.946  -9.012
  470    HB   VAL  87           HB       VAL  87  -8.318   4.579  -8.010
  471   HG11  VAL  87          HG11      VAL  87  -9.018   5.223  -5.723
  472   HG12  VAL  87          HG12      VAL  87  -9.644   6.766  -6.343
  473   HG13  VAL  87          HG13      VAL  87  -7.897   6.414  -6.397
  474   HG21  VAL  87          HG21      VAL  87 -11.214   5.315  -7.645
  475   HG22  VAL  87          HG22      VAL  87 -10.376   3.841  -7.103
  476   HG23  VAL  87          HG23      VAL  87 -10.566   4.163  -8.835
  477    H    GLU  88           H        GLU  88  -9.029   8.921  -8.910
  478    HA   GLU  88           HA       GLU  88  -6.250   9.474  -9.516
  479    HB2  GLU  88           HB2      GLU  88  -8.358  11.212  -8.181
  480    HB3  GLU  88           HB3      GLU  88  -6.827  11.781  -8.810
  481    HG2  GLU  88           HG2      GLU  88  -8.985  10.520 -10.561
  482    HG3  GLU  88           HG3      GLU  88  -8.908  12.234 -10.197
  483    H    LEU  89           H        LEU  89  -4.548   9.401  -8.202
  484    HA   LEU  89           HA       LEU  89  -4.765   8.782  -5.353
  485    HB2  LEU  89           HB2      LEU  89  -2.471   9.200  -7.311
  486    HB3  LEU  89           HB3      LEU  89  -2.204   8.823  -5.623
  487    HG   LEU  89           HG       LEU  89  -3.799   7.024  -7.503
  488   HD11  LEU  89          HD11      LEU  89  -1.452   7.252  -8.259
  489   HD12  LEU  89          HD12      LEU  89  -1.791   5.633  -7.632
  490   HD13  LEU  89          HD13      LEU  89  -0.886   6.803  -6.640
  491   HD21  LEU  89          HD21      LEU  89  -2.531   6.516  -4.771
  492   HD22  LEU  89          HD22      LEU  89  -3.332   5.298  -5.785
  493   HD23  LEU  89          HD23      LEU  89  -4.277   6.625  -5.107
  494    H    LEU  90           H        LEU  90  -4.867  10.219  -3.791
  495    HA   LEU  90           HA       LEU  90  -4.698  13.024  -4.026
  496    HB2  LEU  90           HB2      LEU  90  -4.823  11.000  -1.800
  497    HB3  LEU  90           HB3      LEU  90  -4.460  12.648  -1.357
  498    HG   LEU  90           HG       LEU  90  -6.873  11.997  -3.081
  499   HD11  LEU  90          HD11      LEU  90  -8.215  12.129  -1.002
  500   HD12  LEU  90          HD12      LEU  90  -6.720  12.204  -0.043
  501   HD13  LEU  90          HD13      LEU  90  -7.115  10.748  -0.994
  502   HD21  LEU  90          HD21      LEU  90  -6.231  14.349  -1.242
  503   HD22  LEU  90          HD22      LEU  90  -7.694  14.151  -2.225
  504   HD23  LEU  90          HD23      LEU  90  -6.130  14.384  -3.015
  505    H    GLY  91           H        GLY  91  -2.041  10.826  -3.486
  506    HA2  GLY  91           HA2      GLY  91  -0.119  12.916  -3.989
  507    HA3  GLY  91           HA3      GLY  91  -0.130  12.448  -2.300
  508    H    LYS  92           H        LYS  92   2.135  12.098  -2.993
  509    HA   LYS  92           HA       LYS  92   3.015   9.758  -4.402
  510    HB2  LYS  92           HB2      LYS  92   4.189  11.771  -2.492
  511    HB3  LYS  92           HB3      LYS  92   4.988  10.253  -2.648
  512    HG2  LYS  92           HG2      LYS  92   6.098  11.638  -4.093
  513    HG3  LYS  92           HG3      LYS  92   5.185  10.503  -5.086
  514    HD2  LYS  92           HD2      LYS  92   3.556  12.240  -5.643
  515    HD3  LYS  92           HD3      LYS  92   4.306  13.358  -4.473
  516    HE2  LYS  92           HE2      LYS  92   6.428  13.290  -5.715
  517    HE3  LYS  92           HE3      LYS  92   5.739  12.147  -6.880
  518    HZ1  LYS  92           HZ1      LYS  92   5.668  14.489  -7.680
  519    HZ2  LYS  92           HZ2      LYS  92   4.717  14.892  -6.408
  520    HZ3  LYS  92           HZ3      LYS  92   4.149  13.851  -7.535
  521    H    MET  93           H        MET  93   3.948   7.888  -3.600
  522    HA   MET  93           HA       MET  93   2.150   6.349  -1.961
  523    HB2  MET  93           HB2      MET  93   3.181   5.633  -4.136
  524    HB3  MET  93           HB3      MET  93   4.754   5.563  -3.343
  525    HG2  MET  93           HG2      MET  93   3.514   3.823  -1.747
  526    HG3  MET  93           HG3      MET  93   2.334   3.786  -3.042
  527    HE1  MET  93           HE1      MET  93   6.507   1.857  -2.943
  528    HE2  MET  93           HE2      MET  93   5.461   2.320  -1.582
  529    HE3  MET  93           HE3      MET  93   6.333   3.571  -2.502
  530    H    TYR  94           H        TYR  94   2.916   7.852   0.042
  531    HA   TYR  94           HA       TYR  94   5.378   7.407   1.252
  532    HB2  TYR  94           HB2      TYR  94   3.880   9.191   1.910
  533    HB3  TYR  94           HB3      TYR  94   2.711   8.058   2.517
  534    HD1  TYR  94           HD1      TYR  94   6.400   8.778   3.004
  535    HD2  TYR  94           HD2      TYR  94   2.636   7.761   4.836
  536    HE1  TYR  94           HE1      TYR  94   7.441   8.951   5.257
  537    HE2  TYR  94           HE2      TYR  94   3.664   7.954   7.078
  538    HH   TYR  94           HH       TYR  94   7.133   8.780   7.519
  539    H    LYS  95           H        LYS  95   2.445   5.397   1.775
  540    HA   LYS  95           HA       LYS  95   4.154   3.243   2.911
  541    HB2  LYS  95           HB2      LYS  95   3.322   4.968   4.714
  542    HB3  LYS  95           HB3      LYS  95   1.731   4.305   4.403
  543    HG2  LYS  95           HG2      LYS  95   2.378   3.054   6.210
  544    HG3  LYS  95           HG3      LYS  95   2.872   1.984   4.909
  545    HD2  LYS  95           HD2      LYS  95   4.649   1.991   6.483
  546    HD3  LYS  95           HD3      LYS  95   5.203   2.922   5.096
  547    HE2  LYS  95           HE2      LYS  95   5.897   3.952   7.194
  548    HE3  LYS  95           HE3      LYS  95   4.822   5.030   6.310
  549    HZ1  LYS  95           HZ1      LYS  95   3.946   3.252   8.540
  550    HZ2  LYS  95           HZ2      LYS  95   3.039   4.443   7.807
  551    HZ3  LYS  95           HZ3      LYS  95   4.318   4.844   8.728
  552    H    THR  96           H        THR  96   3.287   1.185   2.689
  553    HA   THR  96           HA       THR  96   0.392   0.855   2.072
  554    HB   THR  96           HB       THR  96   2.554  -0.651   0.546
  555    HG1  THR  96           HG1      THR  96   2.207   1.574   0.019
  556   HG21  THR  96          HG21      THR  96   0.679  -1.390  -0.890
  557   HG22  THR  96          HG22      THR  96  -0.475  -0.563   0.167
  558   HG23  THR  96          HG23      THR  96   0.439  -1.961   0.757
  559    H    TYR  97           H        TYR  97  -0.474  -0.966   2.855
  560    HA   TYR  97           HA       TYR  97   1.172  -2.798   4.584
  561    HB2  TYR  97           HB2      TYR  97  -1.640  -1.795   5.157
  562    HB3  TYR  97           HB3      TYR  97  -0.737  -2.916   6.112
  563    HD1  TYR  97           HD1      TYR  97   1.125  -2.178   7.520
  564    HD2  TYR  97           HD2      TYR  97  -1.226   0.622   5.250
  565    HE1  TYR  97           HE1      TYR  97   2.130  -0.313   8.803
  566    HE2  TYR  97           HE2      TYR  97  -0.287   2.481   6.621
  567    HH   TYR  97           HH       TYR  97   2.247   1.909   9.080
  568    H    PHE  98           H        PHE  98   0.699  -4.966   4.525
  569    HA   PHE  98           HA       PHE  98  -1.403  -5.982   2.640
  570    HB2  PHE  98           HB2      PHE  98   1.505  -6.772   2.970
  571    HB3  PHE  98           HB3      PHE  98   0.356  -7.644   1.984
  572    HD1  PHE  98           HD1      PHE  98   2.191  -4.379   2.291
  573    HD2  PHE  98           HD2      PHE  98  -0.062  -7.036  -0.241
  574    HE1  PHE  98           HE1      PHE  98   2.852  -3.050   0.295
  575    HE2  PHE  98           HE2      PHE  98   0.635  -5.721  -2.236
  576    HZ   PHE  98           HZ       PHE  98   2.114  -3.756  -1.967
  577    H    PHE  99           H        PHE  99  -2.299  -7.981   3.076
  578    HA   PHE  99           HA       PHE  99  -1.954  -9.089   5.849
  579    HB2  PHE  99           HB2      PHE  99  -4.560  -8.620   4.338
  580    HB3  PHE  99           HB3      PHE  99  -4.365  -9.074   6.020
  581    HD1  PHE  99           HD1      PHE  99  -3.841  -6.308   3.560
  582    HD2  PHE  99           HD2      PHE  99  -4.307  -7.351   7.702
  583    HE1  PHE  99           HE1      PHE  99  -3.806  -3.938   4.144
  584    HE2  PHE  99           HE2      PHE  99  -4.338  -4.943   8.290
  585    HZ   PHE  99           HZ       PHE  99  -3.985  -3.223   6.538
  586    H    LYS 100           H        LYS 100  -2.124 -11.395   6.052
  587    HA   LYS 100           HA       LYS 100  -2.200 -12.886   3.503
  588    HB2  LYS 100           HB2      LYS 100  -1.875 -13.995   6.295
  589    HB3  LYS 100           HB3      LYS 100  -1.876 -14.898   4.785
  590    HG2  LYS 100           HG2      LYS 100   0.308 -14.765   5.207
  591    HG3  LYS 100           HG3      LYS 100   0.065 -13.507   4.001
  592    HD2  LYS 100           HD2      LYS 100   0.361 -11.768   5.611
  593    HD3  LYS 100           HD3      LYS 100   0.235 -12.888   6.970
  594    HE2  LYS 100           HE2      LYS 100   2.434 -13.145   4.883
  595    HE3  LYS 100           HE3      LYS 100   2.602 -12.084   6.285
  596    HZ1  LYS 100           HZ1      LYS 100   2.132 -15.005   6.410
  597    HZ2  LYS 100           HZ2      LYS 100   2.229 -14.023   7.719
  598    HZ3  LYS 100           HZ3      LYS 100   3.550 -14.240   6.750
  599    H    LYS 101           H        LYS 101  -3.547 -14.654   3.109
  600    HA   LYS 101           HA       LYS 101  -6.325 -14.250   3.170
  601    HB2  LYS 101           HB2      LYS 101  -4.622 -16.735   2.888
  602    HB3  LYS 101           HB3      LYS 101  -6.391 -16.797   2.792
  603    HG2  LYS 101           HG2      LYS 101  -6.455 -15.319   0.918
  604    HG3  LYS 101           HG3      LYS 101  -4.730 -14.947   1.041
  605    HD2  LYS 101           HD2      LYS 101  -4.113 -17.184   0.393
  606    HD3  LYS 101           HD3      LYS 101  -5.794 -17.743   0.428
  607    HE2  LYS 101           HE2      LYS 101  -4.960 -15.407  -1.331
  608    HE3  LYS 101           HE3      LYS 101  -4.654 -17.061  -1.862
  609    HZ1  LYS 101           HZ1      LYS 101  -7.371 -16.097  -1.107
  610    HZ2  LYS 101           HZ2      LYS 101  -7.013 -17.537  -1.789
  611    HZ3  LYS 101           HZ3      LYS 101  -6.825 -16.189  -2.651
  612    H    GLY 102           H        GLY 102  -7.649 -13.961   4.800
  613    HA2  GLY 102           HA2      GLY 102  -8.996 -14.827   6.546
  614    HA3  GLY 102           HA3      GLY 102  -7.696 -15.890   7.070
  615    H    GLU 103           H        GLU 103  -6.111 -13.001   6.757
  616    HA   GLU 103           HA       GLU 103  -6.289 -12.467   9.669
  617    HB2  GLU 103           HB2      GLU 103  -4.429 -11.322   7.548
  618    HB3  GLU 103           HB3      GLU 103  -4.276 -11.127   9.294
  619    HG2  GLU 103           HG2      GLU 103  -4.028 -13.619   9.516
  620    HG3  GLU 103           HG3      GLU 103  -3.989 -13.742   7.756
  621    H    SER 104           H        SER 104  -6.041 -10.075  10.336
  622    HA   SER 104           HA       SER 104  -7.180  -8.069   8.470
  623    HB2  SER 104           HB2      SER 104  -8.814  -7.251  10.088
  624    HB3  SER 104           HB3      SER 104  -9.160  -8.911   9.617
  625    HG   SER 104           HG       SER 104  -8.770  -9.561  11.619
  626    H    LYS 105           H        LYS 105  -4.599  -8.686  10.303
  627    HA   LYS 105           HA       LYS 105  -4.057  -5.758  10.443
  628    HB2  LYS 105           HB2      LYS 105  -4.381  -6.476  12.744
  629    HB3  LYS 105           HB3      LYS 105  -3.202  -7.787  12.532
  630    HG2  LYS 105           HG2      LYS 105  -1.398  -6.236  12.347
  631    HG3  LYS 105           HG3      LYS 105  -2.453  -4.846  12.256
  632    HD2  LYS 105           HD2      LYS 105  -1.671  -4.899  14.526
  633    HD3  LYS 105           HD3      LYS 105  -3.324  -5.497  14.614
  634    HE2  LYS 105           HE2      LYS 105  -2.609  -7.759  14.782
  635    HE3  LYS 105           HE3      LYS 105  -0.957  -7.345  14.278
  636    HZ1  LYS 105           HZ1      LYS 105  -1.146  -7.703  16.700
  637    HZ2  LYS 105           HZ2      LYS 105  -2.146  -6.407  16.834
  638    HZ3  LYS 105           HZ3      LYS 105  -0.579  -6.227  16.307
  639    H    SER 106           H        SER 106  -2.091  -5.203   9.565
  640    HA   SER 106           HA       SER 106  -1.305  -7.018   7.516
  641    HB2  SER 106           HB2      SER 106  -0.031  -5.318   6.628
  642    HB3  SER 106           HB3      SER 106  -1.219  -4.438   7.592
  643    HG   SER 106           HG       SER 106   1.528  -4.907   8.072
  644    H    SER 107           H        SER 107   0.768  -7.827   6.956
  645    HA   SER 107           HA       SER 107   2.741  -8.335   9.174
  646    HB2  SER 107           HB2      SER 107   1.448 -10.383   8.873
  647    HB3  SER 107           HB3      SER 107   1.575 -10.251   7.122
  648    HG   SER 107           HG       SER 107   3.485 -11.087   9.003
  649    H    TYR 108           H        TYR 108   2.180  -7.415   5.911
  650    HA   TYR 108           HA       TYR 108   5.110  -7.078   5.492
  651    HB2  TYR 108           HB2      TYR 108   4.493  -8.958   4.148
  652    HB3  TYR 108           HB3      TYR 108   3.088  -8.144   3.515
  653    HD1  TYR 108           HD1      TYR 108   6.815  -7.711   3.700
  654    HD2  TYR 108           HD2      TYR 108   3.253  -7.270   1.343
  655    HE1  TYR 108           HE1      TYR 108   8.210  -7.052   1.710
  656    HE2  TYR 108           HE2      TYR 108   4.621  -6.637  -0.617
  657    HH   TYR 108           HH       TYR 108   6.778  -6.521  -1.502
  658    H    VAL 109           H        VAL 109   5.703  -5.217   4.630
  659    HA   VAL 109           HA       VAL 109   3.731  -3.102   3.972
  660    HB   VAL 109           HB       VAL 109   5.156  -1.583   5.540
  661   HG11  VAL 109          HG11      VAL 109   3.782  -2.002   7.460
  662   HG12  VAL 109          HG12      VAL 109   3.287  -3.587   6.806
  663   HG13  VAL 109          HG13      VAL 109   2.846  -2.079   5.947
  664   HG21  VAL 109          HG21      VAL 109   5.576  -4.188   7.046
  665   HG22  VAL 109          HG22      VAL 109   6.177  -2.550   7.426
  666   HG23  VAL 109          HG23      VAL 109   6.794  -3.443   6.012
  667    H    ILE 110           H        ILE 110   4.595  -1.274   2.997
  668    HA   ILE 110           HA       ILE 110   7.426  -1.395   2.101
  669    HB   ILE 110           HB       ILE 110   5.123  -1.036   0.194
  670   HG12  ILE 110          HG12      ILE 110   6.625  -3.577   0.885
  671   HG13  ILE 110          HG13      ILE 110   4.901  -3.317   0.834
  672   HG21  ILE 110          HG21      ILE 110   8.069  -1.618  -0.367
  673   HG22  ILE 110          HG22      ILE 110   7.346   0.009  -0.438
  674   HG23  ILE 110          HG23      ILE 110   6.837  -1.227  -1.573
  675   HD11  ILE 110          HD11      ILE 110   6.861  -3.674  -1.393
  676   HD12  ILE 110          HD12      ILE 110   5.222  -2.988  -1.708
  677   HD13  ILE 110          HD13      ILE 110   5.409  -4.616  -1.043
  678    H    ASN 111           H        ASN 111   8.331   0.555   1.948
  679    HA   ASN 111           HA       ASN 111   6.660   2.932   2.689
  680    HB2  ASN 111           HB2      ASN 111   9.631   2.401   3.111
  681    HB3  ASN 111           HB3      ASN 111   8.732   3.792   3.693
  682   HD21  ASN 111          HD21      ASN 111  10.213   2.431   5.459
  683   HD22  ASN 111          HD22      ASN 111   9.236   1.411   6.504
  684    H    GLY 112           H        GLY 112   7.069   4.951   1.594
  685    HA2  GLY 112           HA2      GLY 112   8.997   5.003  -0.648
  686    HA3  GLY 112           HA3      GLY 112   7.290   4.948  -1.092
  687    HA   PRO 113           HA       PRO 113   8.818   9.299  -0.679
  688    HB2  PRO 113           HB2      PRO 113   7.665  10.312  -2.957
  689    HB3  PRO 113           HB3      PRO 113   9.246   9.484  -2.929
  690    HG2  PRO 113           HG2      PRO 113   6.552   8.302  -3.640
  691    HG3  PRO 113           HG3      PRO 113   8.106   8.139  -4.522
  692    HD2  PRO 113           HD2      PRO 113   7.213   6.223  -2.817
  693    HD3  PRO 113           HD3      PRO 113   8.956   6.618  -2.920
  694    H    GLY 114           H        GLY 114   7.729  10.883   0.233
  695    HA2  GLY 114           HA2      GLY 114   5.406  12.117  -0.174
  696    HA3  GLY 114           HA3      GLY 114   4.826  10.757   0.775
  697    H    LYS 115           H        LYS 115   7.445  10.750   2.302
  698    HA   LYS 115           HA       LYS 115   8.168  11.217   4.333
  699    HB2  LYS 115           HB2      LYS 115   8.745  13.335   2.977
  700    HB3  LYS 115           HB3      LYS 115   7.490  14.132   3.935
  701    HG2  LYS 115           HG2      LYS 115   8.746  13.464   6.027
  702    HG3  LYS 115           HG3      LYS 115   9.947  12.659   5.006
  703    HD2  LYS 115           HD2      LYS 115  10.888  14.755   5.577
  704    HD3  LYS 115           HD3      LYS 115  10.365  14.902   3.895
  705    HE2  LYS 115           HE2      LYS 115   8.226  15.996   4.742
  706    HE3  LYS 115           HE3      LYS 115   8.894  15.907   6.380
  707    HZ1  LYS 115           HZ1      LYS 115  10.753  17.297   5.597
  708    HZ2  LYS 115           HZ2      LYS 115   9.335  18.075   5.443
  709    HZ3  LYS 115           HZ3      LYS 115  10.073  17.411   4.117
  710    H    THR 116           H        THR 116   4.868  12.179   3.847
  711    HA   THR 116           HA       THR 116   4.105  11.327   6.505
  712    HB   THR 116           HB       THR 116   4.817  13.576   7.120
  713    HG1  THR 116           HG1      THR 116   3.067  13.323   8.249
  714   HG21  THR 116          HG21      THR 116   2.935  14.658   4.979
  715   HG22  THR 116          HG22      THR 116   4.709  14.735   4.924
  716   HG23  THR 116          HG23      THR 116   3.826  15.603   6.189
  717    H    ASN 117           H        ASN 117   1.844  11.022   6.639
  718    HA   ASN 117           HA       ASN 117   0.340  11.150   4.102
  719    HB2  ASN 117           HB2      ASN 117  -0.475  10.321   6.932
  720    HB3  ASN 117           HB3      ASN 117  -1.514  10.243   5.499
  721   HD21  ASN 117          HD21      ASN 117  -0.346   9.176   3.551
  722   HD22  ASN 117          HD22      ASN 117   0.584   7.724   3.901
  723    H    GLU 118           H        GLU 118   0.866  13.226   6.839
  724    HA   GLU 118           HA       GLU 118  -1.706  14.565   6.752
  725    HB2  GLU 118           HB2      GLU 118   0.810  15.180   8.346
  726    HB3  GLU 118           HB3      GLU 118  -0.820  15.784   8.679
  727    HG2  GLU 118           HG2      GLU 118  -1.603  13.481   9.112
  728    HG3  GLU 118           HG3      GLU 118   0.025  12.855   8.826
  729    H    TYR 119           H        TYR 119  -0.181  14.883   4.299
  730    HA   TYR 119           HA       TYR 119   0.547  16.296   2.726
  731    HB2  TYR 119           HB2      TYR 119  -1.461  17.441   2.845
  732    HB3  TYR 119           HB3      TYR 119  -1.042  18.267   4.327
  733    HD1  TYR 119           HD1      TYR 119  -0.071  18.029   0.718
  734    HD2  TYR 119           HD2      TYR 119  -0.158  20.441   4.287
  735    HE1  TYR 119           HE1      TYR 119   0.817  19.964  -0.573
  736    HE2  TYR 119           HE2      TYR 119   0.673  22.392   2.983
  737    HH   TYR 119           HH       TYR 119   1.528  23.112   0.996
  738    H    ALA 120           H        ALA 120   2.379  17.348   2.070
  739    HA   ALA 120           HA       ALA 120   4.439  17.150   4.090
  740    HB1  ALA 120           HB1      ALA 120   4.489  16.003   1.905
  741    HB2  ALA 120           HB2      ALA 120   5.924  17.013   2.172
  742    HB3  ALA 120           HB3      ALA 120   4.637  17.575   1.088
  743    H    TYR 121           H        TYR 121   3.255  19.412   4.913
  744    HA   TYR 121           HA       TYR 121   5.428  21.397   4.565
  745    HB2  TYR 121           HB2      TYR 121   3.576  21.982   2.964
  746    HB3  TYR 121           HB3      TYR 121   2.495  22.122   4.348
  747    HD1  TYR 121           HD1      TYR 121   5.710  23.470   2.947
  748    HD2  TYR 121           HD2      TYR 121   2.288  24.196   5.469
  749    HE1  TYR 121           HE1      TYR 121   6.355  25.878   3.137
  750    HE2  TYR 121           HE2      TYR 121   2.913  26.594   5.632
  751    HH   TYR 121           HH       TYR 121   4.286  28.228   4.867
  752    H1   ACE   6           H1       ACE   6  10.553   9.155  -9.837
  753    H2   ACE   6           H2       ACE   6  10.266  10.048  -8.323
  754    H3   ACE   6           H3       ACE   6  11.574  10.552  -9.416
  755    H    THR   7           H        THR   7  10.416   7.768  -7.536
  756    HA   THR   7           HA       THR   7  13.046   6.494  -7.517
  757    HB   THR   7           HB       THR   7  13.269   8.070  -5.653
  758    HG1  THR   7           HG1      THR   7  13.789   6.427  -4.108
  759   HG21  THR   7          HG21      THR   7  10.900   8.231  -4.906
  760   HG22  THR   7          HG22      THR   7  10.986   6.555  -4.319
  761   HG23  THR   7          HG23      THR   7  12.001   7.811  -3.588
  762    H    THR   8           H        THR   8  13.003   4.305  -6.806
  763    HA   THR   8           HA       THR   8  10.416   3.152  -5.979
  764    HB   THR   8           HB       THR   8  10.467   3.191  -8.479
  765    HG1  THR   8           HG1      THR   8  10.208   0.730  -7.112
  766   HG21  THR   8          HG21      THR   8  12.422   0.880  -8.193
  767   HG22  THR   8          HG22      THR   8  12.808   2.490  -8.850
  768   HG23  THR   8          HG23      THR   8  11.640   1.455  -9.676
  769    HA   PRO   9           HA       PRO   9  13.639  -0.210  -5.298
  770    HB2  PRO   9           HB2      PRO   9  16.254   0.227  -4.907
  771    HB3  PRO   9           HB3      PRO   9  15.441   0.312  -6.505
  772    HG2  PRO   9           HG2      PRO   9  16.045   2.628  -4.623
  773    HG3  PRO   9           HG3      PRO   9  16.551   2.468  -6.340
  774    HD2  PRO   9           HD2      PRO   9  14.296   3.782  -5.603
  775    HD3  PRO   9           HD3      PRO   9  14.356   2.798  -7.109
  776    H    ASP  10           H        ASP  10  12.170   0.160  -3.593
  777    HA   ASP  10           HA       ASP  10  13.523  -0.416  -1.015
  778    HB2  ASP  10           HB2      ASP  10  11.273   1.599  -1.273
  779    HB3  ASP  10           HB3      ASP  10  11.634   0.755   0.227
  780    H2   TYS  11           H2       TYS  11  13.141  -2.511  -1.908
  781    HA   TYS  11           HA       TYS  11  10.444  -3.431  -2.599
  782    HB2  TYS  11           HB2      TYS  11  13.174  -4.528  -3.274
  783    HB3  TYS  11           HB3      TYS  11  11.747  -5.542  -3.310
  784    HD1  TYS  11           HD1      TYS  11   9.875  -5.190  -4.740
  785    HD2  TYS  11           HD2      TYS  11  13.125  -2.377  -4.716
  786    HE1  TYS  11           HE1      TYS  11   9.094  -4.312  -6.805
  787    HE2  TYS  11           HE2      TYS  11  12.138  -1.288  -6.684
  788    H    GLY  12           H        GLY  12  10.157  -2.926  -0.725
  789    HA2  GLY  12           HA2      GLY  12   8.713  -3.488   0.916
  790    HA3  GLY  12           HA3      GLY  12   8.815  -5.124   0.266
  791    H    HIS  13           H        HIS  13   8.328  -4.672   3.016
  792    HA   HIS  13           HA       HIS  13  10.406  -6.480   3.994
  793    HB2  HIS  13           HB2      HIS  13  10.864  -5.216   6.028
  794    HB3  HIS  13           HB3      HIS  13  11.530  -4.423   4.606
  795    HD1  HIS  13           HD1      HIS  13   9.883  -2.285   3.599
  796    HD2  HIS  13           HD2      HIS  13   9.130  -3.764   7.499
  797    HE1  HIS  13           HE1      HIS  13   8.268  -0.664   4.714
  798    HE2  HIS  13           HE2      HIS  13   8.112  -1.350   7.198
  799    H2   TYS  14           H2       TYS  14   9.787  -7.564   5.917
  800    HA   TYS  14           HA       TYS  14   6.884  -7.274   6.558
  801    HB2  TYS  14           HB2      TYS  14   8.844  -9.529   7.127
  802    HB3  TYS  14           HB3      TYS  14   7.221  -9.441   7.745
  803    HD1  TYS  14           HD1      TYS  14   8.893  -9.308   4.237
  804    HD2  TYS  14           HD2      TYS  14   5.501 -10.521   6.645
  805    HE1  TYS  14           HE1      TYS  14   8.261 -10.858   2.561
  806    HE2  TYS  14           HE2      TYS  14   4.843 -12.062   4.895
  807    H    ASP  15           H        ASP  15   6.098  -6.946   8.530
  808    HA   ASP  15           HA       ASP  15   7.829  -6.003  10.688
  809    HB2  ASP  15           HB2      ASP  15   7.690  -4.101   8.941
  810    HB3  ASP  15           HB3      ASP  15   6.031  -3.924   9.396
  811    H    ASP  16           H        ASP  16   6.442  -5.180  12.471
  812    HA   ASP  16           HA       ASP  16   3.680  -6.310  12.539
  813    HB2  ASP  16           HB2      ASP  16   5.553  -7.978  13.390
  814    HB3  ASP  16           HB3      ASP  16   5.550  -6.957  14.826
  815    H    LYS  17           H        LYS  17   6.048  -4.006  13.662
  816    HA   LYS  17           HA       LYS  17   4.464  -2.964  15.878
  817    HB2  LYS  17           HB2      LYS  17   6.977  -3.077  15.757
  818    HB3  LYS  17           HB3      LYS  17   6.946  -1.888  14.444
  819    HG2  LYS  17           HG2      LYS  17   5.820  -0.283  15.987
  820    HG3  LYS  17           HG3      LYS  17   5.900  -1.514  17.269
  821    HD2  LYS  17           HD2      LYS  17   8.416  -1.524  17.019
  822    HD3  LYS  17           HD3      LYS  17   8.268  -0.246  15.810
  823    HE2  LYS  17           HE2      LYS  17   8.870   0.782  17.882
  824    HE3  LYS  17           HE3      LYS  17   7.196   1.232  17.529
  825    HZ1  LYS  17           HZ1      LYS  17   6.454  -0.379  19.150
  826    HZ2  LYS  17           HZ2      LYS  17   7.944  -1.020  19.314
  827    HZ3  LYS  17           HZ3      LYS  17   7.637   0.506  19.872
  828    H    ASP  18           H        ASP  18   5.411  -1.802  12.617
  829    HA   ASP  18           HA       ASP  18   3.919   0.652  12.816
  830    HB2  ASP  18           HB2      ASP  18   5.963   0.052  11.327
  831    HB3  ASP  18           HB3      ASP  18   4.790  -0.626  10.202
  832    H    THR  19           H        THR  19   2.763  -2.473  12.214
  833    HA   THR  19           HA       THR  19   1.199  -2.448   9.998
  834    HB   THR  19           HB       THR  19   1.481  -4.484  11.384
  835    HG1  THR  19           HG1      THR  19  -0.006  -4.620   9.978
  836   HG21  THR  19          HG21      THR  19  -0.608  -3.421  13.246
  837   HG22  THR  19          HG22      THR  19   1.122  -3.373  13.623
  838   HG23  THR  19          HG23      THR  19   0.357  -4.937  13.322
  839    H    LEU  20           H        LEU  20  -0.964  -2.229   9.395
  840    HA   LEU  20           HA       LEU  20  -2.624  -0.360  10.986
  841    HB2  LEU  20           HB2      LEU  20  -2.257   0.404   8.670
  842    HB3  LEU  20           HB3      LEU  20  -2.700  -1.197   8.058
  843    HG   LEU  20           HG       LEU  20  -4.991  -0.849   9.040
  844   HD11  LEU  20          HD11      LEU  20  -4.453   0.921  10.709
  845   HD12  LEU  20          HD12      LEU  20  -5.706   1.433   9.576
  846   HD13  LEU  20          HD13      LEU  20  -4.042   2.030   9.383
  847   HD21  LEU  20          HD21      LEU  20  -5.690   0.644   7.212
  848   HD22  LEU  20          HD22      LEU  20  -4.440  -0.502   6.719
  849   HD23  LEU  20          HD23      LEU  20  -4.003   1.193   7.004
  850    H    ASP  21           H        ASP  21  -4.146  -1.281  12.098
  851    HA   ASP  21           HA       ASP  21  -5.019  -4.065  11.692
  852    HB2  ASP  21           HB2      ASP  21  -5.937  -3.854  13.954
  853    HB3  ASP  21           HB3      ASP  21  -4.206  -3.553  13.864
  854    H    LEU  22           H        LEU  22  -6.512  -4.261  10.251
  855    HA   LEU  22           HA       LEU  22  -8.689  -2.387   9.676
  856    HB2  LEU  22           HB2      LEU  22  -7.462  -4.859   8.498
  857    HB3  LEU  22           HB3      LEU  22  -9.172  -4.666   8.189
  858    HG   LEU  22           HG       LEU  22  -8.804  -2.542   7.084
  859   HD11  LEU  22          HD11      LEU  22  -6.948  -1.603   8.291
  860   HD12  LEU  22          HD12      LEU  22  -6.441  -1.831   6.609
  861   HD13  LEU  22          HD13      LEU  22  -5.894  -2.974   7.866
  862   HD21  LEU  22          HD21      LEU  22  -7.451  -3.387   5.188
  863   HD22  LEU  22          HD22      LEU  22  -8.541  -4.643   5.810
  864   HD23  LEU  22          HD23      LEU  22  -6.808  -4.684   6.222
  865    H    ASN  23           H        ASN  23  -8.705  -3.632  12.436
  866    HA   ASN  23           HA       ASN  23 -11.366  -4.899  12.369
  867    HB2  ASN  23           HB2      ASN  23 -10.613  -6.620  13.956
  868    HB3  ASN  23           HB3      ASN  23  -9.881  -6.777  12.372
  869   HD21  ASN  23          HD21      ASN  23  -7.657  -6.899  12.283
  870   HD22  ASN  23          HD22      ASN  23  -6.638  -6.779  13.687
  871    H    THR  24           H        THR  24 -12.601  -4.335  13.901
  872    HA   THR  24           HA       THR  24 -11.730  -2.569  16.132
  873    HB   THR  24           HB       THR  24 -13.251  -0.915  15.507
  874    HG1  THR  24           HG1      THR  24 -14.821  -1.135  14.061
  875   HG21  THR  24          HG21      THR  24 -12.709  -0.218  13.261
  876   HG22  THR  24          HG22      THR  24 -11.260  -0.956  13.963
  877   HG23  THR  24          HG23      THR  24 -12.254  -1.867  12.795
  878    HA   PRO  25           HA       PRO  25 -16.095  -3.871  17.311
  879    HB2  PRO  25           HB2      PRO  25 -17.295  -6.148  16.444
  880    HB3  PRO  25           HB3      PRO  25 -17.223  -4.638  15.487
  881    HG2  PRO  25           HG2      PRO  25 -15.434  -7.069  15.252
  882    HG3  PRO  25           HG3      PRO  25 -16.220  -6.120  13.933
  883    HD2  PRO  25           HD2      PRO  25 -13.642  -5.738  14.674
  884    HD3  PRO  25           HD3      PRO  25 -14.690  -4.450  14.020
  885    H    VAL  26           H        VAL  26 -16.919  -4.932  19.092
  886    HA   VAL  26           HA       VAL  26 -15.460  -7.259  20.234
  887    HB   VAL  26           HB       VAL  26 -14.300  -5.110  20.787
  888   HG11  VAL  26          HG11      VAL  26 -15.178  -3.581  22.427
  889   HG12  VAL  26          HG12      VAL  26 -16.686  -4.498  22.569
  890   HG13  VAL  26          HG13      VAL  26 -16.295  -3.641  21.059
  891   HG21  VAL  26          HG21      VAL  26 -13.985  -5.587  23.166
  892   HG22  VAL  26          HG22      VAL  26 -13.992  -7.057  22.184
  893   HG23  VAL  26          HG23      VAL  26 -15.415  -6.632  23.170
  894    H    ASP  27           H        ASP  27 -16.569  -8.412  21.834
  895    HA   ASP  27           HA       ASP  27 -19.400  -8.539  21.540
  896    HB2  ASP  27           HB2      ASP  27 -17.543  -9.748  23.622
  897    HB3  ASP  27           HB3      ASP  27 -19.267 -10.101  23.537
  898    H    LYS  28           H        LYS  28 -17.461  -7.048  24.089
  899    HA   LYS  28           HA       LYS  28 -19.424  -5.037  24.550
  900    HB2  LYS  28           HB2      LYS  28 -19.790  -5.265  26.928
  901    HB3  LYS  28           HB3      LYS  28 -20.418  -6.676  26.093
  902    HG2  LYS  28           HG2      LYS  28 -18.494  -8.026  26.843
  903    HG3  LYS  28           HG3      LYS  28 -17.735  -6.596  27.556
  904    HD2  LYS  28           HD2      LYS  28 -18.723  -7.802  29.358
  905    HD3  LYS  28           HD3      LYS  28 -19.692  -6.348  29.094
  906    HE2  LYS  28           HE2      LYS  28 -21.218  -7.847  27.630
  907    HE3  LYS  28           HE3      LYS  28 -20.335  -9.223  28.299
  908    HZ1  LYS  28           HZ1      LYS  28 -22.346  -8.758  29.559
  909    HZ2  LYS  28           HZ2      LYS  28 -21.045  -8.436  30.533
  910    HZ3  LYS  28           HZ3      LYS  28 -21.889  -7.211  29.828
  911    HN1  NH2  29           HN1      NH2  29 -16.771  -3.104  25.831
  912    HN2  NH2  29           HN2      NH2  29 -18.517  -3.194  25.649
  Start of MODEL   23
    1    H1   ASN  31           H1       ASN  31   5.556  13.485 -23.012
    2    H2   ASN  31           H2       ASN  31   6.754  12.481 -23.524
    3    H3   ASN  31           H3       ASN  31   6.477  12.680 -21.915
    4    HA   ASN  31           HA       ASN  31   4.301  11.659 -22.116
    5    HB2  ASN  31           HB2      ASN  31   5.178  11.327 -25.011
    6    HB3  ASN  31           HB3      ASN  31   3.892  10.381 -24.274
    7   HD21  ASN  31          HD21      ASN  31   3.222  11.865 -26.443
    8   HD22  ASN  31          HD22      ASN  31   2.200  13.206 -25.939
    9    H    SER  32           H        SER  32   4.980  10.193 -20.616
   10    HA   SER  32           HA       SER  32   5.958   7.668 -21.659
   11    HB2  SER  32           HB2      SER  32   8.136   8.873 -21.269
   12    HB3  SER  32           HB3      SER  32   7.717   8.970 -19.546
   13    HG   SER  32           HG       SER  32   8.871   7.123 -19.744
   14    H    GLY  33           H        GLY  33   5.115   9.600 -18.757
   15    HA2  GLY  33           HA2      GLY  33   3.057   8.422 -17.712
   16    HA3  GLY  33           HA3      GLY  33   4.197   7.150 -17.318
   17    H    LEU  34           H        LEU  34   2.591   9.347 -15.831
   18    HA   LEU  34           HA       LEU  34   4.582   9.801 -13.690
   19    HB2  LEU  34           HB2      LEU  34   2.912  11.990 -14.995
   20    HB3  LEU  34           HB3      LEU  34   3.667  12.155 -13.416
   21    HG   LEU  34           HG       LEU  34   5.209  11.727 -16.009
   22   HD11  LEU  34          HD11      LEU  34   5.797  14.103 -15.778
   23   HD12  LEU  34          HD12      LEU  34   4.755  14.240 -14.344
   24   HD13  LEU  34          HD13      LEU  34   4.052  13.898 -15.942
   25   HD21  LEU  34          HD21      LEU  34   6.132  12.460 -13.190
   26   HD22  LEU  34          HD22      LEU  34   7.157  12.441 -14.637
   27   HD23  LEU  34          HD23      LEU  34   6.471  10.933 -14.034
   28    HA   PRO  35           HA       PRO  35   0.661   7.818 -12.962
   29    HB2  PRO  35           HB2      PRO  35   1.197   6.202 -10.841
   30    HB3  PRO  35           HB3      PRO  35   1.803   5.886 -12.499
   31    HG2  PRO  35           HG2      PRO  35   3.314   7.218 -10.234
   32    HG3  PRO  35           HG3      PRO  35   3.882   5.930 -11.338
   33    HD2  PRO  35           HD2      PRO  35   4.467   8.567 -11.760
   34    HD3  PRO  35           HD3      PRO  35   4.164   7.468 -13.131
   35    H    THR  36           H        THR  36  -0.989   8.807 -12.204
   36    HA   THR  36           HA       THR  36  -1.161   9.568  -9.326
   37    HB   THR  36           HB       THR  36  -0.752  11.557 -10.751
   38    HG1  THR  36           HG1      THR  36  -3.209  12.140  -9.800
   39   HG21  THR  36          HG21      THR  36  -2.115  10.966 -12.752
   40   HG22  THR  36          HG22      THR  36  -2.535  12.543 -12.068
   41   HG23  THR  36          HG23      THR  36  -3.593  11.146 -11.782
   42    H    THR  37           H        THR  37  -2.003   7.199 -11.027
   43    HA   THR  37           HA       THR  37  -4.768   7.112  -9.943
   44    HB   THR  37           HB       THR  37  -5.482   5.683 -11.857
   45    HG1  THR  37           HG1      THR  37  -4.316   5.523 -13.621
   46   HG21  THR  37          HG21      THR  37  -5.920   7.510 -13.436
   47   HG22  THR  37          HG22      THR  37  -4.728   8.536 -12.606
   48   HG23  THR  37          HG23      THR  37  -6.204   8.014 -11.765
   49    H    LEU  38           H        LEU  38  -5.384   5.263  -9.017
   50    HA   LEU  38           HA       LEU  38  -3.406   3.609  -7.916
   51    HB2  LEU  38           HB2      LEU  38  -6.004   4.106  -7.423
   52    HB3  LEU  38           HB3      LEU  38  -6.177   2.522  -8.181
   53    HG   LEU  38           HG       LEU  38  -4.693   3.298  -5.678
   54   HD11  LEU  38          HD11      LEU  38  -7.043   1.437  -6.205
   55   HD12  LEU  38          HD12      LEU  38  -7.104   3.042  -5.440
   56   HD13  LEU  38          HD13      LEU  38  -6.283   1.705  -4.624
   57   HD21  LEU  38          HD21      LEU  38  -3.303   1.554  -6.686
   58   HD22  LEU  38          HD22      LEU  38  -4.738   0.555  -7.012
   59   HD23  LEU  38          HD23      LEU  38  -4.199   0.859  -5.346
   60    H    GLY  39           H        GLY  39  -5.357   3.003 -10.866
   61    HA2  GLY  39           HA2      GLY  39  -4.728   0.361 -11.441
   62    HA3  GLY  39           HA3      GLY  39  -4.891   1.624 -12.667
   63    H    LYS  40           H        LYS  40  -2.474   3.129 -11.856
   64    HA   LYS  40           HA       LYS  40  -0.411   1.403 -13.126
   65    HB2  LYS  40           HB2      LYS  40  -0.347   4.336 -12.281
   66    HB3  LYS  40           HB3      LYS  40   0.959   3.465 -13.096
   67    HG2  LYS  40           HG2      LYS  40  -0.691   2.977 -14.990
   68    HG3  LYS  40           HG3      LYS  40  -1.783   4.144 -14.221
   69    HD2  LYS  40           HD2      LYS  40   0.030   5.889 -14.404
   70    HD3  LYS  40           HD3      LYS  40   1.047   4.693 -15.240
   71    HE2  LYS  40           HE2      LYS  40  -0.841   4.430 -16.933
   72    HE3  LYS  40           HE3      LYS  40  -1.645   5.796 -16.145
   73    HZ1  LYS  40           HZ1      LYS  40   1.025   5.877 -17.439
   74    HZ2  LYS  40           HZ2      LYS  40   0.302   7.168 -16.716
   75    HZ3  LYS  40           HZ3      LYS  40  -0.352   6.504 -18.069
   76    H    LEU  41           H        LEU  41  -1.146   2.773  -9.951
   77    HA   LEU  41           HA       LEU  41   1.439   2.159  -8.787
   78    HB2  LEU  41           HB2      LEU  41  -0.218   3.872  -7.927
   79    HB3  LEU  41           HB3      LEU  41  -1.253   2.532  -7.426
   80    HG   LEU  41           HG       LEU  41   0.757   1.687  -6.034
   81   HD11  LEU  41          HD11      LEU  41   2.553   3.029  -7.069
   82   HD12  LEU  41          HD12      LEU  41   2.377   3.433  -5.363
   83   HD13  LEU  41          HD13      LEU  41   1.726   4.529  -6.592
   84   HD21  LEU  41          HD21      LEU  41  -0.415   4.379  -5.282
   85   HD22  LEU  41          HD22      LEU  41   0.292   3.144  -4.201
   86   HD23  LEU  41          HD23      LEU  41  -1.215   2.799  -5.071
   87    H    ASP  42           H        ASP  42  -1.701   0.449  -8.884
   88    HA   ASP  42           HA       ASP  42  -1.070  -1.821  -7.292
   89    HB2  ASP  42           HB2      ASP  42  -3.331  -1.240  -7.991
   90    HB3  ASP  42           HB3      ASP  42  -2.904  -1.403  -9.695
   91    H    GLU  43           H        GLU  43  -0.484  -1.234 -10.741
   92    HA   GLU  43           HA       GLU  43   0.562  -3.813 -11.423
   93    HB2  GLU  43           HB2      GLU  43  -0.210  -1.869 -12.943
   94    HB3  GLU  43           HB3      GLU  43   1.373  -1.148 -12.630
   95    HG2  GLU  43           HG2      GLU  43   2.385  -3.357 -13.488
   96    HG3  GLU  43           HG3      GLU  43   0.750  -3.798 -14.000
   97    H    ARG  44           H        ARG  44   2.050  -0.934  -9.981
   98    HA   ARG  44           HA       ARG  44   4.730  -2.104  -9.960
   99    HB2  ARG  44           HB2      ARG  44   3.712   0.503  -9.647
  100    HB3  ARG  44           HB3      ARG  44   4.166   0.053  -8.009
  101    HG2  ARG  44           HG2      ARG  44   6.152   0.934  -8.764
  102    HG3  ARG  44           HG3      ARG  44   6.403  -0.773  -9.153
  103    HD2  ARG  44           HD2      ARG  44   5.493   1.370 -11.094
  104    HD3  ARG  44           HD3      ARG  44   7.143   0.753 -10.934
  105    HE   ARG  44           HE       ARG  44   6.341  -1.470 -11.667
  106   HH11  ARG  44          HH11      ARG  44   4.453   1.282 -12.819
  107   HH12  ARG  44          HH12      ARG  44   3.627   0.289 -13.975
  108   HH21  ARG  44          HH21      ARG  44   5.382  -2.556 -13.163
  109   HH22  ARG  44          HH22      ARG  44   4.108  -1.837 -14.177
  110    H    LEU  45           H        LEU  45   2.202  -1.636  -7.435
  111    HA   LEU  45           HA       LEU  45   3.683  -2.842  -5.348
  112    HB2  LEU  45           HB2      LEU  45   0.707  -2.499  -5.798
  113    HB3  LEU  45           HB3      LEU  45   1.373  -3.147  -4.301
  114    HG   LEU  45           HG       LEU  45   2.106  -0.400  -5.419
  115   HD11  LEU  45          HD11      LEU  45   0.175  -1.197  -3.210
  116   HD12  LEU  45          HD12      LEU  45  -0.259  -0.491  -4.784
  117   HD13  LEU  45          HD13      LEU  45   0.674   0.460  -3.610
  118   HD21  LEU  45          HD21      LEU  45   2.645  -1.723  -2.726
  119   HD22  LEU  45          HD22      LEU  45   2.918  -0.015  -3.087
  120   HD23  LEU  45          HD23      LEU  45   3.860  -1.235  -3.938
  121    H    ARG  46           H        ARG  46   1.512  -4.499  -7.700
  122    HA   ARG  46           HA       ARG  46   1.777  -7.099  -6.387
  123    HB2  ARG  46           HB2      ARG  46   0.972  -6.391  -9.242
  124    HB3  ARG  46           HB3      ARG  46   0.913  -8.016  -8.536
  125    HG2  ARG  46           HG2      ARG  46  -0.604  -7.101  -6.719
  126    HG3  ARG  46           HG3      ARG  46  -0.657  -5.579  -7.608
  127    HD2  ARG  46           HD2      ARG  46  -1.451  -7.050  -9.623
  128    HD3  ARG  46           HD3      ARG  46  -1.742  -8.281  -8.397
  129    HE   ARG  46           HE       ARG  46  -2.909  -5.490  -8.348
  130   HH11  ARG  46          HH11      ARG  46  -3.873  -8.930  -8.153
  131   HH12  ARG  46          HH12      ARG  46  -5.399  -8.402  -7.503
  132   HH21  ARG  46          HH21      ARG  46  -4.654  -5.119  -7.331
  133   HH22  ARG  46          HH22      ARG  46  -5.748  -6.417  -6.790
  134    H    ASN  47           H        ASN  47   3.776  -5.324  -8.615
  135    HA   ASN  47           HA       ASN  47   5.680  -7.580  -8.959
  136    HB2  ASN  47           HB2      ASN  47   5.619  -4.681  -9.863
  137    HB3  ASN  47           HB3      ASN  47   7.102  -5.623  -9.899
  138   HD21  ASN  47          HD21      ASN  47   4.059  -5.088 -11.504
  139   HD22  ASN  47          HD22      ASN  47   4.279  -6.394 -12.676
  140    H    TYR  48           H        TYR  48   5.494  -4.660  -6.853
  141    HA   TYR  48           HA       TYR  48   7.955  -5.111  -5.600
  142    HB2  TYR  48           HB2      TYR  48   5.407  -3.899  -4.504
  143    HB3  TYR  48           HB3      TYR  48   6.871  -4.011  -3.646
  144    HD1  TYR  48           HD1      TYR  48   7.259  -3.023  -7.207
  145    HD2  TYR  48           HD2      TYR  48   6.834  -1.738  -3.140
  146    HE1  TYR  48           HE1      TYR  48   8.061  -0.756  -7.814
  147    HE2  TYR  48           HE2      TYR  48   7.470   0.581  -3.780
  148    HH   TYR  48           HH       TYR  48   7.808   2.003  -5.589
  149    H    LEU  49           H        LEU  49   4.814  -6.650  -4.859
  150    HA   LEU  49           HA       LEU  49   5.706  -8.166  -2.634
  151    HB2  LEU  49           HB2      LEU  49   3.627  -8.542  -4.795
  152    HB3  LEU  49           HB3      LEU  49   3.983  -9.907  -3.747
  153    HG   LEU  49           HG       LEU  49   3.353  -7.204  -2.566
  154   HD11  LEU  49          HD11      LEU  49   1.002  -8.044  -2.298
  155   HD12  LEU  49          HD12      LEU  49   1.395  -9.419  -3.333
  156   HD13  LEU  49          HD13      LEU  49   1.435  -7.767  -3.997
  157   HD21  LEU  49          HD21      LEU  49   2.616  -8.574  -0.641
  158   HD22  LEU  49          HD22      LEU  49   4.304  -8.854  -1.058
  159   HD23  LEU  49          HD23      LEU  49   3.078 -10.050  -1.520
  160    H    LYS  50           H        LYS  50   6.324  -8.903  -6.092
  161    HA   LYS  50           HA       LYS  50   7.469 -11.517  -5.456
  162    HB2  LYS  50           HB2      LYS  50   7.767  -9.800  -7.951
  163    HB3  LYS  50           HB3      LYS  50   8.329 -11.465  -7.720
  164    HG2  LYS  50           HG2      LYS  50   6.063 -12.282  -7.424
  165    HG3  LYS  50           HG3      LYS  50   5.395 -10.651  -7.554
  166    HD2  LYS  50           HD2      LYS  50   7.012 -11.972  -9.779
  167    HD3  LYS  50           HD3      LYS  50   5.252 -12.099  -9.659
  168    HE2  LYS  50           HE2      LYS  50   5.000  -9.666  -9.798
  169    HE3  LYS  50           HE3      LYS  50   6.752  -9.459  -9.765
  170    HZ1  LYS  50           HZ1      LYS  50   5.194 -10.706 -11.963
  171    HZ2  LYS  50           HZ2      LYS  50   6.838 -10.692 -11.903
  172    HZ3  LYS  50           HZ3      LYS  50   6.013  -9.284 -12.004
  173    H    LYS  51           H        LYS  51   8.887  -8.330  -6.244
  174    HA   LYS  51           HA       LYS  51  11.654  -8.953  -5.692
  175    HB2  LYS  51           HB2      LYS  51  10.055  -6.416  -5.686
  176    HB3  LYS  51           HB3      LYS  51  11.795  -6.463  -5.351
  177    HG2  LYS  51           HG2      LYS  51  11.645  -7.854  -7.741
  178    HG3  LYS  51           HG3      LYS  51  10.296  -6.720  -7.908
  179    HD2  LYS  51           HD2      LYS  51  11.953  -4.867  -7.218
  180    HD3  LYS  51           HD3      LYS  51  13.229  -6.081  -7.365
  181    HE2  LYS  51           HE2      LYS  51  12.398  -6.518  -9.731
  182    HE3  LYS  51           HE3      LYS  51  11.309  -5.133  -9.528
  183    HZ1  LYS  51           HZ1      LYS  51  13.263  -3.741  -9.167
  184    HZ2  LYS  51           HZ2      LYS  51  13.375  -4.476 -10.625
  185    HZ3  LYS  51           HZ3      LYS  51  14.278  -5.035  -9.369
  186    H    GLY  52           H        GLY  52   9.011  -8.318  -3.565
  187    HA2  GLY  52           HA2      GLY  52  10.771  -7.456  -1.373
  188    HA3  GLY  52           HA3      GLY  52   9.069  -7.141  -1.652
  189    H    THR  53           H        THR  53   8.664 -10.229  -2.085
  190    HA   THR  53           HA       THR  53   8.956 -11.150   0.732
  191    HB   THR  53           HB       THR  53   6.864 -12.199   0.619
  192    HG1  THR  53           HG1      THR  53   6.641 -11.314  -2.108
  193   HG21  THR  53          HG21      THR  53   5.219 -10.476   0.292
  194   HG22  THR  53          HG22      THR  53   6.410  -9.471  -0.576
  195   HG23  THR  53          HG23      THR  53   6.637  -9.870   1.140
  196    H    LYS  54           H        LYS  54   8.878 -13.507   1.028
  197    HA   LYS  54           HA       LYS  54  10.357 -15.021  -0.931
  198    HB2  LYS  54           HB2      LYS  54   8.639 -15.972   1.387
  199    HB3  LYS  54           HB3      LYS  54   9.731 -16.993   0.462
  200    HG2  LYS  54           HG2      LYS  54  11.677 -15.994   1.345
  201    HG3  LYS  54           HG3      LYS  54  10.817 -14.539   1.864
  202    HD2  LYS  54           HD2      LYS  54   9.513 -15.965   3.477
  203    HD3  LYS  54           HD3      LYS  54  10.614 -17.312   3.113
  204    HE2  LYS  54           HE2      LYS  54  12.506 -16.060   3.998
  205    HE3  LYS  54           HE3      LYS  54  11.575 -14.560   3.990
  206    HZ1  LYS  54           HZ1      LYS  54  11.173 -16.838   5.844
  207    HZ2  LYS  54           HZ2      LYS  54  10.068 -15.642   5.647
  208    HZ3  LYS  54           HZ3      LYS  54  11.549 -15.275   6.205
  209    H    ASN  55           H        ASN  55   6.891 -14.800  -0.077
  210    HA   ASN  55           HA       ASN  55   6.095 -15.876  -2.693
  211    HB2  ASN  55           HB2      ASN  55   6.484 -17.884  -1.334
  212    HB3  ASN  55           HB3      ASN  55   5.632 -17.167   0.034
  213   HD21  ASN  55          HD21      ASN  55   4.386 -19.085   0.110
  214   HD22  ASN  55          HD22      ASN  55   2.989 -19.256  -0.941
  215    H    SER  56           H        SER  56   4.901 -14.231  -3.325
  216    HA   SER  56           HA       SER  56   3.127 -12.617  -1.863
  217    HB2  SER  56           HB2      SER  56   4.051 -12.170  -4.112
  218    HB3  SER  56           HB3      SER  56   3.034 -13.447  -4.794
  219    HG   SER  56           HG       SER  56   2.135 -11.328  -5.013
  220    H    ALA  57           H        ALA  57   2.519 -15.923  -2.966
  221    HA   ALA  57           HA       ALA  57  -0.241 -15.641  -3.544
  222    HB1  ALA  57           HB1      ALA  57  -0.222 -18.046  -3.787
  223    HB2  ALA  57           HB2      ALA  57   1.258 -18.189  -2.819
  224    HB3  ALA  57           HB3      ALA  57   1.303 -17.406  -4.418
  225    H    GLN  58           H        GLN  58   1.030 -15.523  -0.432
  226    HA   GLN  58           HA       GLN  58  -1.259 -16.801   0.924
  227    HB2  GLN  58           HB2      GLN  58  -0.087 -16.192   2.952
  228    HB3  GLN  58           HB3      GLN  58   1.012 -17.001   1.837
  229    HG2  GLN  58           HG2      GLN  58   1.926 -14.758   1.147
  230    HG3  GLN  58           HG3      GLN  58   0.874 -13.982   2.315
  231   HE21  GLN  58          HE21      GLN  58   4.035 -14.786   1.948
  232   HE22  GLN  58          HE22      GLN  58   4.393 -15.173   3.611
  233    H    PHE  59           H        PHE  59  -0.495 -13.628  -0.351
  234    HA   PHE  59           HA       PHE  59  -2.119 -12.191   1.621
  235    HB2  PHE  59           HB2      PHE  59  -0.640 -11.246  -0.833
  236    HB3  PHE  59           HB3      PHE  59  -1.498 -10.210   0.302
  237    HD1  PHE  59           HD1      PHE  59  -0.771 -10.153   2.752
  238    HD2  PHE  59           HD2      PHE  59   1.621 -11.971  -0.324
  239    HE1  PHE  59           HE1      PHE  59   1.206 -10.068   4.242
  240    HE2  PHE  59           HE2      PHE  59   3.588 -11.939   1.185
  241    HZ   PHE  59           HZ       PHE  59   3.394 -10.963   3.450
  242    H    GLU  60           H        GLU  60  -4.036 -11.080   1.292
  243    HA   GLU  60           HA       GLU  60  -5.630 -11.919  -1.102
  244    HB2  GLU  60           HB2      GLU  60  -7.549 -12.289   0.140
  245    HB3  GLU  60           HB3      GLU  60  -6.255 -13.244   0.876
  246    HG2  GLU  60           HG2      GLU  60  -6.064 -11.615   2.677
  247    HG3  GLU  60           HG3      GLU  60  -7.260 -10.558   1.931
  248    H    LYS  61           H        LYS  61  -4.846  -9.314   1.100
  249    HA   LYS  61           HA       LYS  61  -5.665  -7.496  -0.998
  250    HB2  LYS  61           HB2      LYS  61  -7.203  -6.127   0.120
  251    HB3  LYS  61           HB3      LYS  61  -7.785  -7.761   0.329
  252    HG2  LYS  61           HG2      LYS  61  -7.079  -7.766   2.679
  253    HG3  LYS  61           HG3      LYS  61  -6.265  -6.209   2.476
  254    HD2  LYS  61           HD2      LYS  61  -8.286  -5.049   2.088
  255    HD3  LYS  61           HD3      LYS  61  -9.215  -6.524   1.849
  256    HE2  LYS  61           HE2      LYS  61  -7.816  -5.872   4.459
  257    HE3  LYS  61           HE3      LYS  61  -9.434  -5.270   4.099
  258    HZ1  LYS  61           HZ1      LYS  61  -8.667  -8.132   4.310
  259    HZ2  LYS  61           HZ2      LYS  61 -10.178  -7.601   3.879
  260    HZ3  LYS  61           HZ3      LYS  61  -9.592  -7.302   5.358
  261    H    MET  62           H        MET  62  -5.317  -5.224  -0.374
  262    HA   MET  62           HA       MET  62  -3.095  -4.680   1.471
  263    HB2  MET  62           HB2      MET  62  -1.680  -3.655  -0.202
  264    HB3  MET  62           HB3      MET  62  -1.994  -5.331  -0.637
  265    HG2  MET  62           HG2      MET  62  -3.653  -4.629  -2.308
  266    HG3  MET  62           HG3      MET  62  -3.429  -2.937  -1.847
  267    HE1  MET  62           HE1      MET  62  -3.291  -3.990  -4.836
  268    HE2  MET  62           HE2      MET  62  -1.876  -3.114  -5.449
  269    HE3  MET  62           HE3      MET  62  -3.043  -2.282  -4.400
  270    H    VAL  63           H        VAL  63  -2.682  -2.388   1.767
  271    HA   VAL  63           HA       VAL  63  -4.780  -0.545   0.820
  272    HB   VAL  63           HB       VAL  63  -5.514  -1.503   2.973
  273   HG11  VAL  63          HG11      VAL  63  -4.471  -1.414   4.904
  274   HG12  VAL  63          HG12      VAL  63  -3.441   0.000   4.482
  275   HG13  VAL  63          HG13      VAL  63  -3.072  -1.609   3.856
  276   HG21  VAL  63          HG21      VAL  63  -4.863   1.469   3.119
  277   HG22  VAL  63          HG22      VAL  63  -6.073   0.607   4.089
  278   HG23  VAL  63          HG23      VAL  63  -6.285   0.743   2.337
  279    H    ILE  64           H        ILE  64  -3.923   1.256   0.058
  280    HA   ILE  64           HA       ILE  64  -1.072   1.937   0.606
  281    HB   ILE  64           HB       ILE  64  -2.957   3.073  -1.505
  282   HG12  ILE  64          HG12      ILE  64  -1.310   1.712  -3.048
  283   HG13  ILE  64          HG13      ILE  64  -1.091   0.690  -1.646
  284   HG21  ILE  64          HG21      ILE  64   0.080   3.184  -1.284
  285   HG22  ILE  64          HG22      ILE  64  -1.015   4.527  -0.884
  286   HG23  ILE  64          HG23      ILE  64  -0.936   3.950  -2.528
  287   HD11  ILE  64          HD11      ILE  64  -2.767  -0.110  -3.321
  288   HD12  ILE  64          HD12      ILE  64  -3.773   1.305  -2.962
  289   HD13  ILE  64          HD13      ILE  64  -3.472   0.072  -1.710
  290    H    LEU  65           H        LEU  65  -0.516   3.773   1.701
  291    HA   LEU  65           HA       LEU  65  -2.620   5.800   2.295
  292    HB2  LEU  65           HB2      LEU  65  -0.268   5.209   4.107
  293    HB3  LEU  65           HB3      LEU  65  -1.627   6.288   4.398
  294    HG   LEU  65           HG       LEU  65  -1.662   3.252   4.389
  295   HD11  LEU  65          HD11      LEU  65  -2.226   3.465   6.719
  296   HD12  LEU  65          HD12      LEU  65  -2.468   5.214   6.571
  297   HD13  LEU  65          HD13      LEU  65  -0.838   4.535   6.444
  298   HD21  LEU  65          HD21      LEU  65  -4.045   3.454   5.131
  299   HD22  LEU  65          HD22      LEU  65  -3.816   3.915   3.455
  300   HD23  LEU  65          HD23      LEU  65  -4.000   5.184   4.676
  301    H    THR  66           H        THR  66  -2.198   7.741   1.430
  302    HA   THR  66           HA       THR  66   0.537   8.231   0.301
  303    HB   THR  66           HB       THR  66  -0.520   9.579  -1.387
  304    HG1  THR  66           HG1      THR  66  -2.267  10.403  -0.307
  305   HG21  THR  66          HG21      THR  66  -0.376   7.142  -1.822
  306   HG22  THR  66          HG22      THR  66  -1.738   7.916  -2.651
  307   HG23  THR  66          HG23      THR  66  -2.032   6.949  -1.191
  308    H    GLU  67           H        GLU  67   1.014  10.677  -0.104
  309    HA   GLU  67           HA       GLU  67   0.643  12.376   2.165
  310    HB2  GLU  67           HB2      GLU  67   0.587  13.551  -0.594
  311    HB3  GLU  67           HB3      GLU  67   1.254  14.209   0.867
  312    HG2  GLU  67           HG2      GLU  67   3.213  12.849   0.714
  313    HG3  GLU  67           HG3      GLU  67   2.524  11.849  -0.567
  314    H    ASN  68           H        ASN  68  -0.748  14.400   2.128
  315    HA   ASN  68           HA       ASN  68  -2.816  15.311   2.394
  316    HB2  ASN  68           HB2      ASN  68  -3.185  14.285  -0.435
  317    HB3  ASN  68           HB3      ASN  68  -4.078  15.603   0.292
  318   HD21  ASN  68          HD21      ASN  68  -1.545  14.967  -1.727
  319   HD22  ASN  68          HD22      ASN  68  -0.471  16.311  -1.337
  320    H    LYS  69           H        LYS  69  -2.573  12.719   3.492
  321    HA   LYS  69           HA       LYS  69  -3.781  11.228   4.649
  322    HB2  LYS  69           HB2      LYS  69  -6.095  13.169   4.276
  323    HB3  LYS  69           HB3      LYS  69  -5.897  11.970   5.561
  324    HG2  LYS  69           HG2      LYS  69  -3.742  13.148   6.213
  325    HG3  LYS  69           HG3      LYS  69  -4.175  14.449   5.098
  326    HD2  LYS  69           HD2      LYS  69  -5.788  13.543   7.501
  327    HD3  LYS  69           HD3      LYS  69  -4.723  14.957   7.431
  328    HE2  LYS  69           HE2      LYS  69  -6.212  15.864   5.573
  329    HE3  LYS  69           HE3      LYS  69  -7.317  14.518   5.895
  330    HZ1  LYS  69           HZ1      LYS  69  -6.532  16.606   7.866
  331    HZ2  LYS  69           HZ2      LYS  69  -7.520  15.365   8.206
  332    HZ3  LYS  69           HZ3      LYS  69  -7.990  16.503   7.118
  333    H    GLY  70           H        GLY  70  -3.827  10.895   1.637
  334    HA2  GLY  70           HA2      GLY  70  -6.286   9.570   0.951
  335    HA3  GLY  70           HA3      GLY  70  -4.750   9.366   0.131
  336    H    TYR  71           H        TYR  71  -6.883   7.511   0.990
  337    HA   TYR  71           HA       TYR  71  -5.273   5.322   2.174
  338    HB2  TYR  71           HB2      TYR  71  -6.409   6.358   4.079
  339    HB3  TYR  71           HB3      TYR  71  -7.936   6.362   3.227
  340    HD1  TYR  71           HD1      TYR  71  -8.941   3.988   2.559
  341    HD2  TYR  71           HD2      TYR  71  -6.035   4.649   5.701
  342    HE1  TYR  71           HE1      TYR  71  -9.710   1.938   3.724
  343    HE2  TYR  71           HE2      TYR  71  -6.878   2.669   6.882
  344    HH   TYR  71           HH       TYR  71  -8.502   1.116   6.986
  345    H    TYR  72           H        TYR  72  -5.566   3.593   0.835
  346    HA   TYR  72           HA       TYR  72  -8.086   3.322  -0.780
  347    HB2  TYR  72           HB2      TYR  72  -5.240   3.153  -1.848
  348    HB3  TYR  72           HB3      TYR  72  -6.725   2.928  -2.753
  349    HD1  TYR  72           HD1      TYR  72  -8.117   4.828  -3.415
  350    HD2  TYR  72           HD2      TYR  72  -4.445   5.376  -1.207
  351    HE1  TYR  72           HE1      TYR  72  -8.145   7.238  -3.966
  352    HE2  TYR  72           HE2      TYR  72  -4.490   7.817  -1.747
  353    HH   TYR  72           HH       TYR  72  -7.210   9.266  -3.559
  354    H    THR  73           H        THR  73  -8.893   1.317  -0.263
  355    HA   THR  73           HA       THR  73  -6.992  -0.933   0.228
  356    HB   THR  73           HB       THR  73  -8.877  -0.472   1.811
  357    HG1  THR  73           HG1      THR  73  -9.184  -2.617   2.126
  358   HG21  THR  73          HG21      THR  73 -10.616  -1.883  -0.254
  359   HG22  THR  73          HG22      THR  73 -10.716  -0.146   0.097
  360   HG23  THR  73          HG23      THR  73 -11.074  -1.323   1.368
  361    H    VAL  74           H        VAL  74  -6.818  -2.710  -1.039
  362    HA   VAL  74           HA       VAL  74  -8.453  -3.046  -3.506
  363    HB   VAL  74           HB       VAL  74  -5.406  -2.782  -3.513
  364   HG11  VAL  74          HG11      VAL  74  -7.362  -3.437  -5.756
  365   HG12  VAL  74          HG12      VAL  74  -6.085  -4.496  -5.110
  366   HG13  VAL  74          HG13      VAL  74  -5.641  -3.041  -5.989
  367   HG21  VAL  74          HG21      VAL  74  -5.812  -0.913  -5.118
  368   HG22  VAL  74          HG22      VAL  74  -6.396  -0.561  -3.493
  369   HG23  VAL  74          HG23      VAL  74  -7.551  -1.018  -4.767
  370    H    TYR  75           H        TYR  75  -8.730  -5.245  -4.007
  371    HA   TYR  75           HA       TYR  75  -7.498  -7.153  -2.119
  372    HB2  TYR  75           HB2      TYR  75  -9.791  -7.357  -4.057
  373    HB3  TYR  75           HB3      TYR  75  -9.080  -8.760  -3.272
  374    HD1  TYR  75           HD1      TYR  75 -10.799  -5.499  -2.599
  375    HD2  TYR  75           HD2      TYR  75  -9.568  -9.309  -0.991
  376    HE1  TYR  75           HE1      TYR  75 -12.117  -5.058  -0.529
  377    HE2  TYR  75           HE2      TYR  75 -10.919  -8.888   1.043
  378    HH   TYR  75           HH       TYR  75 -12.213  -7.403   2.181
  379    H    LEU  76           H        LEU  76  -6.370  -8.903  -2.676
  380    HA   LEU  76           HA       LEU  76  -4.747  -8.727  -5.177
  381    HB2  LEU  76           HB2      LEU  76  -4.146  -9.743  -2.376
  382    HB3  LEU  76           HB3      LEU  76  -3.065  -9.975  -3.736
  383    HG   LEU  76           HG       LEU  76  -3.922  -7.243  -2.691
  384   HD11  LEU  76          HD11      LEU  76  -1.580  -7.150  -1.911
  385   HD12  LEU  76          HD12      LEU  76  -1.357  -8.848  -2.373
  386   HD13  LEU  76          HD13      LEU  76  -2.511  -8.414  -1.087
  387   HD21  LEU  76          HD21      LEU  76  -3.338  -7.062  -5.045
  388   HD22  LEU  76          HD22      LEU  76  -1.902  -8.094  -4.816
  389   HD23  LEU  76          HD23      LEU  76  -1.976  -6.470  -4.104
  390    H    ASN  77           H        ASN  77  -7.184 -10.633  -3.869
  391    HA   ASN  77           HA       ASN  77  -6.428 -13.228  -4.879
  392    HB2  ASN  77           HB2      ASN  77  -9.169 -11.938  -4.556
  393    HB3  ASN  77           HB3      ASN  77  -8.883 -13.657  -4.800
  394   HD21  ASN  77          HD21      ASN  77 -10.225 -12.264  -2.608
  395   HD22  ASN  77          HD22      ASN  77  -9.366 -12.781  -1.155
  396    H    THR  78           H        THR  78  -7.677 -10.316  -6.463
  397    HA   THR  78           HA       THR  78  -7.371 -11.577  -9.103
  398    HB   THR  78           HB       THR  78  -9.477 -10.910  -9.946
  399    HG1  THR  78           HG1      THR  78 -10.943  -9.957  -8.173
  400   HG21  THR  78          HG21      THR  78  -9.644 -12.951  -8.451
  401   HG22  THR  78          HG22      THR  78 -11.143 -12.048  -8.674
  402   HG23  THR  78          HG23      THR  78 -10.227 -11.874  -7.156
  403    HA   PRO  79           HA       PRO  79  -5.765  -7.441 -10.059
  404    HB2  PRO  79           HB2      PRO  79  -7.018  -7.958 -12.748
  405    HB3  PRO  79           HB3      PRO  79  -5.381  -7.341 -12.344
  406    HG2  PRO  79           HG2      PRO  79  -5.669  -9.927 -13.080
  407    HG3  PRO  79           HG3      PRO  79  -4.642  -9.511 -11.667
  408    HD2  PRO  79           HD2      PRO  79  -7.515 -10.471 -11.661
  409    HD3  PRO  79           HD3      PRO  79  -6.117 -11.060 -10.714
  410    H    LEU  80           H        LEU  80  -6.590  -5.419  -9.821
  411    HA   LEU  80           HA       LEU  80  -9.157  -5.288  -8.778
  412    HB2  LEU  80           HB2      LEU  80  -8.657  -3.166  -8.046
  413    HB3  LEU  80           HB3      LEU  80  -7.110  -3.987  -8.119
  414    HG   LEU  80           HG       LEU  80  -8.162  -1.878 -10.058
  415   HD11  LEU  80          HD11      LEU  80  -5.796  -1.829  -8.144
  416   HD12  LEU  80          HD12      LEU  80  -7.370  -1.100  -7.803
  417   HD13  LEU  80          HD13      LEU  80  -6.389  -0.488  -9.148
  418   HD21  LEU  80          HD21      LEU  80  -5.532  -3.410 -10.072
  419   HD22  LEU  80          HD22      LEU  80  -5.816  -1.927 -10.998
  420   HD23  LEU  80          HD23      LEU  80  -6.752  -3.384 -11.361
  421    H    ALA  81           H        ALA  81 -10.970  -4.018  -9.115
  422    HA   ALA  81           HA       ALA  81 -12.107  -4.178 -11.657
  423    HB1  ALA  81           HB1      ALA  81 -12.981  -2.569  -9.216
  424    HB2  ALA  81           HB2      ALA  81 -13.349  -4.281  -9.539
  425    HB3  ALA  81           HB3      ALA  81 -14.024  -3.020 -10.580
  426    H    GLU  82           H        GLU  82 -13.082  -2.595 -13.031
  427    HA   GLU  82           HA       GLU  82 -11.268  -0.748 -14.091
  428    HB2  GLU  82           HB2      GLU  82 -14.264  -1.049 -14.449
  429    HB3  GLU  82           HB3      GLU  82 -13.318   0.150 -15.346
  430    HG2  GLU  82           HG2      GLU  82 -11.864  -1.607 -16.249
  431    HG3  GLU  82           HG3      GLU  82 -12.775  -2.839 -15.373
  432    H    ASP  83           H        ASP  83 -13.864   0.061 -11.722
  433    HA   ASP  83           HA       ASP  83 -13.485   2.937 -12.015
  434    HB2  ASP  83           HB2      ASP  83 -14.735   1.174  -9.885
  435    HB3  ASP  83           HB3      ASP  83 -14.520   2.902  -9.639
  436    H    ARG  84           H        ARG  84 -11.979   0.419 -10.029
  437    HA   ARG  84           HA       ARG  84 -10.396   2.289  -8.387
  438    HB2  ARG  84           HB2      ARG  84 -10.442  -0.757  -8.674
  439    HB3  ARG  84           HB3      ARG  84  -9.274   0.125  -7.685
  440    HG2  ARG  84           HG2      ARG  84 -11.092   1.161  -6.397
  441    HG3  ARG  84           HG3      ARG  84 -12.294   0.235  -7.303
  442    HD2  ARG  84           HD2      ARG  84 -11.564  -1.831  -6.385
  443    HD3  ARG  84           HD3      ARG  84 -10.035  -1.150  -5.814
  444    HE   ARG  84           HE       ARG  84 -11.455   0.272  -4.240
  445   HH11  ARG  84          HH11      ARG  84 -12.439  -3.074  -4.990
  446   HH12  ARG  84          HH12      ARG  84 -13.170  -3.192  -3.388
  447   HH21  ARG  84          HH21      ARG  84 -12.639  -0.053  -2.367
  448   HH22  ARG  84          HH22      ARG  84 -13.207  -1.688  -2.050
  449    H    LYS  85           H        LYS  85  -9.906   0.428 -11.377
  450    HA   LYS  85           HA       LYS  85  -7.103   1.041 -11.704
  451    HB2  LYS  85           HB2      LYS  85  -9.357   0.506 -13.672
  452    HB3  LYS  85           HB3      LYS  85  -7.721   0.893 -14.203
  453    HG2  LYS  85           HG2      LYS  85  -6.826  -1.030 -12.942
  454    HG3  LYS  85           HG3      LYS  85  -8.471  -1.478 -12.444
  455    HD2  LYS  85           HD2      LYS  85  -9.157  -1.841 -14.718
  456    HD3  LYS  85           HD3      LYS  85  -7.651  -1.181 -15.363
  457    HE2  LYS  85           HE2      LYS  85  -7.637  -3.633 -13.572
  458    HE3  LYS  85           HE3      LYS  85  -8.031  -3.759 -15.286
  459    HZ1  LYS  85           HZ1      LYS  85  -5.699  -4.124 -14.995
  460    HZ2  LYS  85           HZ2      LYS  85  -5.457  -2.678 -14.252
  461    HZ3  LYS  85           HZ3      LYS  85  -5.901  -2.734 -15.829
  462    H    ASN  86           H        ASN  86  -9.898   3.067 -11.876
  463    HA   ASN  86           HA       ASN  86  -8.353   5.284 -13.151
  464    HB2  ASN  86           HB2      ASN  86 -11.249   4.371 -13.442
  465    HB3  ASN  86           HB3      ASN  86 -10.651   5.907 -14.044
  466   HD21  ASN  86          HD21      ASN  86 -10.881   2.539 -14.734
  467   HD22  ASN  86          HD22      ASN  86  -9.966   2.622 -16.244
  468    H    VAL  87           H        VAL  87  -8.884   4.604 -10.110
  469    HA   VAL  87           HA       VAL  87 -10.179   7.158  -9.344
  470    HB   VAL  87           HB       VAL  87 -10.475   4.952  -8.087
  471   HG11  VAL  87          HG11      VAL  87  -8.940   4.373  -6.349
  472   HG12  VAL  87          HG12      VAL  87  -7.800   5.641  -6.854
  473   HG13  VAL  87          HG13      VAL  87  -8.156   4.262  -7.931
  474   HG21  VAL  87          HG21      VAL  87 -11.211   7.151  -7.238
  475   HG22  VAL  87          HG22      VAL  87  -9.604   7.415  -6.521
  476   HG23  VAL  87          HG23      VAL  87 -10.646   6.100  -5.934
  477    H    GLU  88           H        GLU  88  -9.033   8.953  -8.664
  478    HA   GLU  88           HA       GLU  88  -6.176   8.938  -9.391
  479    HB2  GLU  88           HB2      GLU  88  -8.119  11.182  -8.783
  480    HB3  GLU  88           HB3      GLU  88  -6.385  11.423  -9.019
  481    HG2  GLU  88           HG2      GLU  88  -6.515  10.372 -11.260
  482    HG3  GLU  88           HG3      GLU  88  -8.256  10.138 -11.058
  483    H    LEU  89           H        LEU  89  -4.527   9.731  -8.092
  484    HA   LEU  89           HA       LEU  89  -4.771   8.859  -5.272
  485    HB2  LEU  89           HB2      LEU  89  -2.436   9.442  -7.135
  486    HB3  LEU  89           HB3      LEU  89  -2.227   8.962  -5.460
  487    HG   LEU  89           HG       LEU  89  -3.612   7.276  -7.595
  488   HD11  LEU  89          HD11      LEU  89  -1.588   5.897  -7.548
  489   HD12  LEU  89          HD12      LEU  89  -0.835   7.005  -6.376
  490   HD13  LEU  89          HD13      LEU  89  -1.190   7.553  -8.023
  491   HD21  LEU  89          HD21      LEU  89  -3.325   5.426  -5.945
  492   HD22  LEU  89          HD22      LEU  89  -4.410   6.679  -5.339
  493   HD23  LEU  89          HD23      LEU  89  -2.732   6.597  -4.751
  494    H    LEU  90           H        LEU  90  -4.997  10.269  -3.664
  495    HA   LEU  90           HA       LEU  90  -4.937  13.091  -3.893
  496    HB2  LEU  90           HB2      LEU  90  -4.897  11.133  -1.585
  497    HB3  LEU  90           HB3      LEU  90  -4.828  12.859  -1.273
  498    HG   LEU  90           HG       LEU  90  -7.029  11.708  -3.022
  499   HD11  LEU  90          HD11      LEU  90  -7.026  12.020   0.006
  500   HD12  LEU  90          HD12      LEU  90  -7.158  10.502  -0.917
  501   HD13  LEU  90          HD13      LEU  90  -8.458  11.690  -1.000
  502   HD21  LEU  90          HD21      LEU  90  -6.846  14.212  -1.288
  503   HD22  LEU  90          HD22      LEU  90  -8.237  13.720  -2.276
  504   HD23  LEU  90          HD23      LEU  90  -6.722  14.171  -3.060
  505    H    GLY  91           H        GLY  91  -2.251  10.935  -3.278
  506    HA2  GLY  91           HA2      GLY  91  -0.343  13.060  -3.745
  507    HA3  GLY  91           HA3      GLY  91  -0.377  12.543  -2.064
  508    H    LYS  92           H        LYS  92   1.923  12.188  -2.866
  509    HA   LYS  92           HA       LYS  92   2.540   9.831  -4.373
  510    HB2  LYS  92           HB2      LYS  92   3.950  12.008  -3.708
  511    HB3  LYS  92           HB3      LYS  92   4.393  11.054  -2.312
  512    HG2  LYS  92           HG2      LYS  92   6.090  10.732  -3.932
  513    HG3  LYS  92           HG3      LYS  92   5.120   9.255  -3.960
  514    HD2  LYS  92           HD2      LYS  92   5.739   9.880  -6.193
  515    HD3  LYS  92           HD3      LYS  92   3.983  10.013  -6.003
  516    HE2  LYS  92           HE2      LYS  92   4.128  12.440  -5.805
  517    HE3  LYS  92           HE3      LYS  92   5.898  12.367  -5.766
  518    HZ1  LYS  92           HZ1      LYS  92   5.891  11.561  -8.011
  519    HZ2  LYS  92           HZ2      LYS  92   5.063  12.975  -7.954
  520    HZ3  LYS  92           HZ3      LYS  92   4.255  11.535  -8.111
  521    H    MET  93           H        MET  93   3.742   7.953  -3.602
  522    HA   MET  93           HA       MET  93   2.064   6.486  -1.763
  523    HB2  MET  93           HB2      MET  93   2.964   5.655  -4.015
  524    HB3  MET  93           HB3      MET  93   4.529   5.481  -3.240
  525    HG2  MET  93           HG2      MET  93   3.082   4.100  -1.428
  526    HG3  MET  93           HG3      MET  93   1.951   3.989  -2.761
  527    HE1  MET  93           HE1      MET  93   6.041   1.882  -2.338
  528    HE2  MET  93           HE2      MET  93   5.093   2.645  -1.038
  529    HE3  MET  93           HE3      MET  93   5.922   3.650  -2.249
  530    H    TYR  94           H        TYR  94   2.908   7.953   0.148
  531    HA   TYR  94           HA       TYR  94   5.422   7.501   1.301
  532    HB2  TYR  94           HB2      TYR  94   3.865   9.213   2.081
  533    HB3  TYR  94           HB3      TYR  94   2.767   7.996   2.668
  534    HD1  TYR  94           HD1      TYR  94   6.385   8.977   3.015
  535    HD2  TYR  94           HD2      TYR  94   2.871   7.421   4.975
  536    HE1  TYR  94           HE1      TYR  94   7.594   8.984   5.185
  537    HE2  TYR  94           HE2      TYR  94   4.079   7.452   7.152
  538    HH   TYR  94           HH       TYR  94   7.419   8.694   7.435
  539    H    LYS  95           H        LYS  95   2.505   5.374   1.760
  540    HA   LYS  95           HA       LYS  95   4.316   3.176   2.441
  541    HB2  LYS  95           HB2      LYS  95   3.599   4.775   4.540
  542    HB3  LYS  95           HB3      LYS  95   2.245   3.676   4.576
  543    HG2  LYS  95           HG2      LYS  95   3.540   1.896   5.280
  544    HG3  LYS  95           HG3      LYS  95   4.962   2.394   4.367
  545    HD2  LYS  95           HD2      LYS  95   4.049   3.870   6.845
  546    HD3  LYS  95           HD3      LYS  95   5.208   2.528   6.868
  547    HE2  LYS  95           HE2      LYS  95   6.660   3.777   5.285
  548    HE3  LYS  95           HE3      LYS  95   5.545   5.137   5.303
  549    HZ1  LYS  95           HZ1      LYS  95   7.033   4.115   7.672
  550    HZ2  LYS  95           HZ2      LYS  95   6.016   5.386   7.707
  551    HZ3  LYS  95           HZ3      LYS  95   7.397   5.460   6.803
  552    H    THR  96           H        THR  96   3.303   1.077   2.610
  553    HA   THR  96           HA       THR  96   0.394   0.869   2.059
  554    HB   THR  96           HB       THR  96   2.445  -0.702   0.449
  555    HG1  THR  96           HG1      THR  96   2.049   1.524  -0.060
  556   HG21  THR  96          HG21      THR  96   0.552  -1.479  -0.895
  557   HG22  THR  96          HG22      THR  96  -0.588  -0.613   0.142
  558   HG23  THR  96          HG23      THR  96   0.313  -1.998   0.772
  559    H    TYR  97           H        TYR  97  -0.529  -0.946   2.863
  560    HA   TYR  97           HA       TYR  97   1.125  -2.832   4.506
  561    HB2  TYR  97           HB2      TYR  97  -1.641  -1.965   5.493
  562    HB3  TYR  97           HB3      TYR  97  -0.421  -2.844   6.258
  563    HD1  TYR  97           HD1      TYR  97  -0.981   0.602   4.831
  564    HD2  TYR  97           HD2      TYR  97   1.103  -1.848   7.694
  565    HE1  TYR  97           HE1      TYR  97   0.123   2.620   5.777
  566    HE2  TYR  97           HE2      TYR  97   2.152   0.173   8.661
  567    HH   TYR  97           HH       TYR  97   1.556   3.481   7.418
  568    H    PHE  98           H        PHE  98   0.515  -4.959   4.560
  569    HA   PHE  98           HA       PHE  98  -1.607  -5.855   2.610
  570    HB2  PHE  98           HB2      PHE  98   1.197  -6.879   3.076
  571    HB3  PHE  98           HB3      PHE  98   0.023  -7.662   2.044
  572    HD1  PHE  98           HD1      PHE  98   1.963  -4.446   2.401
  573    HD2  PHE  98           HD2      PHE  98  -0.143  -7.141  -0.208
  574    HE1  PHE  98           HE1      PHE  98   2.655  -3.100   0.459
  575    HE2  PHE  98           HE2      PHE  98   0.552  -5.770  -2.173
  576    HZ   PHE  98           HZ       PHE  98   1.939  -3.754  -1.841
  577    H    PHE  99           H        PHE  99  -2.562  -7.889   2.915
  578    HA   PHE  99           HA       PHE  99  -2.433  -8.969   5.708
  579    HB2  PHE  99           HB2      PHE  99  -4.921  -8.278   4.101
  580    HB3  PHE  99           HB3      PHE  99  -4.857  -8.834   5.765
  581    HD1  PHE  99           HD1      PHE  99  -4.162  -5.981   3.489
  582    HD2  PHE  99           HD2      PHE  99  -4.364  -7.261   7.595
  583    HE1  PHE  99           HE1      PHE  99  -3.843  -3.660   4.218
  584    HE2  PHE  99           HE2      PHE  99  -4.140  -4.897   8.324
  585    HZ   PHE  99           HZ       PHE  99  -3.771  -3.104   6.650
  586    H    LYS 100           H        LYS 100  -2.490 -11.164   5.885
  587    HA   LYS 100           HA       LYS 100  -2.519 -12.787   3.445
  588    HB2  LYS 100           HB2      LYS 100  -2.316 -13.741   6.311
  589    HB3  LYS 100           HB3      LYS 100  -2.200 -14.729   4.851
  590    HG2  LYS 100           HG2      LYS 100  -0.061 -14.545   5.331
  591    HG3  LYS 100           HG3      LYS 100  -0.237 -13.262   4.129
  592    HD2  LYS 100           HD2      LYS 100  -0.154 -11.562   5.869
  593    HD3  LYS 100           HD3      LYS 100  -0.248 -12.789   7.132
  594    HE2  LYS 100           HE2      LYS 100   2.074 -12.491   5.173
  595    HE3  LYS 100           HE3      LYS 100   2.037 -11.862   6.826
  596    HZ1  LYS 100           HZ1      LYS 100   3.129 -13.866   7.053
  597    HZ2  LYS 100           HZ2      LYS 100   2.172 -14.668   5.983
  598    HZ3  LYS 100           HZ3      LYS 100   1.592 -14.285   7.472
  599    H    LYS 101           H        LYS 101  -3.752 -14.737   3.226
  600    HA   LYS 101           HA       LYS 101  -6.539 -14.374   3.058
  601    HB2  LYS 101           HB2      LYS 101  -6.625 -16.614   2.223
  602    HB3  LYS 101           HB3      LYS 101  -5.322 -15.703   1.492
  603    HG2  LYS 101           HG2      LYS 101  -3.624 -16.906   2.617
  604    HG3  LYS 101           HG3      LYS 101  -4.713 -17.569   3.830
  605    HD2  LYS 101           HD2      LYS 101  -4.924 -18.210   0.869
  606    HD3  LYS 101           HD3      LYS 101  -3.984 -19.186   2.004
  607    HE2  LYS 101           HE2      LYS 101  -5.893 -19.844   3.259
  608    HE3  LYS 101           HE3      LYS 101  -6.906 -18.582   2.549
  609    HZ1  LYS 101           HZ1      LYS 101  -7.439 -20.659   1.539
  610    HZ2  LYS 101           HZ2      LYS 101  -6.724 -19.696   0.413
  611    HZ3  LYS 101           HZ3      LYS 101  -5.855 -20.925   1.079
  612    H    GLY 102           H        GLY 102  -6.540 -13.756   5.491
  613    HA2  GLY 102           HA2      GLY 102  -8.542 -14.884   6.872
  614    HA3  GLY 102           HA3      GLY 102  -7.233 -15.977   7.314
  615    H    GLU 103           H        GLU 103  -6.595 -12.496   6.782
  616    HA   GLU 103           HA       GLU 103  -6.248 -12.020   9.705
  617    HB2  GLU 103           HB2      GLU 103  -4.116 -11.929   7.532
  618    HB3  GLU 103           HB3      GLU 103  -3.967 -11.054   9.055
  619    HG2  GLU 103           HG2      GLU 103  -4.148 -13.150  10.333
  620    HG3  GLU 103           HG3      GLU 103  -4.356 -14.059   8.830
  621    H    SER 104           H        SER 104  -6.003  -9.826  10.277
  622    HA   SER 104           HA       SER 104  -6.790  -7.779   8.260
  623    HB2  SER 104           HB2      SER 104  -8.341  -8.264  10.785
  624    HB3  SER 104           HB3      SER 104  -8.660  -6.996   9.596
  625    HG   SER 104           HG       SER 104  -9.483  -8.426   8.232
  626    H    LYS 105           H        LYS 105  -4.550  -8.456  10.471
  627    HA   LYS 105           HA       LYS 105  -3.950  -5.538  10.604
  628    HB2  LYS 105           HB2      LYS 105  -4.321  -6.232  12.916
  629    HB3  LYS 105           HB3      LYS 105  -3.125  -7.538  12.739
  630    HG2  LYS 105           HG2      LYS 105  -1.322  -6.027  12.615
  631    HG3  LYS 105           HG3      LYS 105  -2.334  -4.662  12.231
  632    HD2  LYS 105           HD2      LYS 105  -1.748  -4.272  14.463
  633    HD3  LYS 105           HD3      LYS 105  -3.387  -4.925  14.574
  634    HE2  LYS 105           HE2      LYS 105  -2.474  -7.152  15.109
  635    HE3  LYS 105           HE3      LYS 105  -0.830  -6.494  14.999
  636    HZ1  LYS 105           HZ1      LYS 105  -1.565  -6.561  17.285
  637    HZ2  LYS 105           HZ2      LYS 105  -2.882  -5.612  16.972
  638    HZ3  LYS 105           HZ3      LYS 105  -1.388  -4.988  16.839
  639    H    SER 106           H        SER 106  -2.128  -5.070   9.583
  640    HA   SER 106           HA       SER 106  -1.191  -7.015   7.742
  641    HB2  SER 106           HB2      SER 106  -1.243  -4.570   7.379
  642    HB3  SER 106           HB3      SER 106   0.143  -4.382   8.480
  643    HG   SER 106           HG       SER 106   0.063  -6.008   6.151
  644    H    SER 107           H        SER 107   0.844  -7.936   7.408
  645    HA   SER 107           HA       SER 107   2.928  -7.882   9.558
  646    HB2  SER 107           HB2      SER 107   2.043 -10.345   8.045
  647    HB3  SER 107           HB3      SER 107   3.418 -10.253   9.158
  648    HG   SER 107           HG       SER 107   2.005  -9.849  10.844
  649    H    TYR 108           H        TYR 108   2.276  -6.939   6.517
  650    HA   TYR 108           HA       TYR 108   5.087  -7.043   5.714
  651    HB2  TYR 108           HB2      TYR 108   4.297  -9.051   4.636
  652    HB3  TYR 108           HB3      TYR 108   2.862  -8.227   4.033
  653    HD1  TYR 108           HD1      TYR 108   6.604  -8.074   3.865
  654    HD2  TYR 108           HD2      TYR 108   2.898  -7.302   1.858
  655    HE1  TYR 108           HE1      TYR 108   7.842  -7.484   1.783
  656    HE2  TYR 108           HE2      TYR 108   4.105  -6.549  -0.150
  657    HH   TYR 108           HH       TYR 108   6.166  -6.308  -1.154
  658    H    VAL 109           H        VAL 109   5.666  -5.226   4.849
  659    HA   VAL 109           HA       VAL 109   3.704  -3.207   3.902
  660    HB   VAL 109           HB       VAL 109   5.073  -1.575   5.449
  661   HG11  VAL 109          HG11      VAL 109   3.084  -3.495   6.679
  662   HG12  VAL 109          HG12      VAL 109   2.737  -1.983   5.793
  663   HG13  VAL 109          HG13      VAL 109   3.610  -1.919   7.337
  664   HG21  VAL 109          HG21      VAL 109   6.010  -2.464   7.418
  665   HG22  VAL 109          HG22      VAL 109   6.631  -3.486   6.088
  666   HG23  VAL 109          HG23      VAL 109   5.325  -4.084   7.106
  667    H    ILE 110           H        ILE 110   4.644  -1.334   3.105
  668    HA   ILE 110           HA       ILE 110   7.352  -1.539   1.862
  669    HB   ILE 110           HB       ILE 110   4.661  -1.118   0.532
  670   HG12  ILE 110          HG12      ILE 110   6.594  -3.436   0.405
  671   HG13  ILE 110          HG13      ILE 110   4.950  -3.489   0.999
  672   HG21  ILE 110          HG21      ILE 110   7.303  -1.337  -0.912
  673   HG22  ILE 110          HG22      ILE 110   6.625   0.232  -0.452
  674   HG23  ILE 110          HG23      ILE 110   5.724  -0.807  -1.548
  675   HD11  ILE 110          HD11      ILE 110   5.007  -4.590  -1.089
  676   HD12  ILE 110          HD12      ILE 110   5.776  -3.219  -1.888
  677   HD13  ILE 110          HD13      ILE 110   4.122  -3.056  -1.309
  678    H    ASN 111           H        ASN 111   8.298   0.514   1.791
  679    HA   ASN 111           HA       ASN 111   6.581   2.848   2.601
  680    HB2  ASN 111           HB2      ASN 111   9.530   2.936   3.067
  681    HB3  ASN 111           HB3      ASN 111   8.258   3.834   3.840
  682   HD21  ASN 111          HD21      ASN 111  10.607   1.906   4.566
  683   HD22  ASN 111          HD22      ASN 111   9.905   1.084   5.965
  684    H    GLY 112           H        GLY 112   7.056   4.839   1.548
  685    HA2  GLY 112           HA2      GLY 112   8.968   4.804  -0.730
  686    HA3  GLY 112           HA3      GLY 112   7.253   4.828  -1.123
  687    HA   PRO 113           HA       PRO 113   8.892   9.121  -0.674
  688    HB2  PRO 113           HB2      PRO 113   8.120  10.131  -3.086
  689    HB3  PRO 113           HB3      PRO 113   9.600   9.160  -2.861
  690    HG2  PRO 113           HG2      PRO 113   6.911   8.214  -3.876
  691    HG3  PRO 113           HG3      PRO 113   8.512   7.882  -4.544
  692    HD2  PRO 113           HD2      PRO 113   7.132   6.184  -2.875
  693    HD3  PRO 113           HD3      PRO 113   8.916   6.252  -2.901
  694    H    GLY 114           H        GLY 114   7.817  10.671   0.204
  695    HA2  GLY 114           HA2      GLY 114   5.543  12.028  -0.370
  696    HA3  GLY 114           HA3      GLY 114   4.899  10.678   0.569
  697    H    LYS 115           H        LYS 115   7.652  10.873   2.137
  698    HA   LYS 115           HA       LYS 115   8.405  11.634   4.072
  699    HB2  LYS 115           HB2      LYS 115   8.590  13.723   2.617
  700    HB3  LYS 115           HB3      LYS 115   7.196  14.357   3.489
  701    HG2  LYS 115           HG2      LYS 115   8.383  14.310   5.586
  702    HG3  LYS 115           HG3      LYS 115   9.705  13.354   4.890
  703    HD2  LYS 115           HD2      LYS 115  10.350  15.234   3.441
  704    HD3  LYS 115           HD3      LYS 115   9.013  16.214   4.089
  705    HE2  LYS 115           HE2      LYS 115   9.981  16.083   6.346
  706    HE3  LYS 115           HE3      LYS 115  11.264  15.012   5.769
  707    HZ1  LYS 115           HZ1      LYS 115  12.179  16.785   4.476
  708    HZ2  LYS 115           HZ2      LYS 115  11.917  17.396   5.971
  709    HZ3  LYS 115           HZ3      LYS 115  10.889  17.766   4.724
  710    H    THR 116           H        THR 116   4.932  12.185   3.714
  711    HA   THR 116           HA       THR 116   4.397  11.107   6.309
  712    HB   THR 116           HB       THR 116   5.005  13.372   7.073
  713    HG1  THR 116           HG1      THR 116   3.184  12.238   7.972
  714   HG21  THR 116          HG21      THR 116   2.778  14.436   5.278
  715   HG22  THR 116          HG22      THR 116   4.515  14.689   5.015
  716   HG23  THR 116          HG23      THR 116   3.734  15.362   6.452
  717    H    ASN 117           H        ASN 117   2.060  10.754   6.591
  718    HA   ASN 117           HA       ASN 117   0.474  10.940   4.117
  719    HB2  ASN 117           HB2      ASN 117  -0.152  10.011   6.963
  720    HB3  ASN 117           HB3      ASN 117  -1.311  10.005   5.633
  721   HD21  ASN 117          HD21      ASN 117  -0.053   9.083   3.510
  722   HD22  ASN 117          HD22      ASN 117   0.737   7.540   3.772
  723    H    GLU 118           H        GLU 118   0.962  12.852   6.993
  724    HA   GLU 118           HA       GLU 118  -1.666  14.122   6.889
  725    HB2  GLU 118           HB2      GLU 118   0.688  14.517   8.758
  726    HB3  GLU 118           HB3      GLU 118  -0.961  15.058   9.038
  727    HG2  GLU 118           HG2      GLU 118  -0.109  12.139   8.840
  728    HG3  GLU 118           HG3      GLU 118  -0.330  13.049  10.318
  729    H    TYR 119           H        TYR 119  -0.472  14.768   4.633
  730    HA   TYR 119           HA       TYR 119   0.416  16.174   3.184
  731    HB2  TYR 119           HB2      TYR 119  -0.353  18.550   3.229
  732    HB3  TYR 119           HB3      TYR 119  -1.534  17.270   3.154
  733    HD1  TYR 119           HD1      TYR 119   0.100  19.496   5.749
  734    HD2  TYR 119           HD2      TYR 119  -3.439  17.414   4.432
  735    HE1  TYR 119           HE1      TYR 119  -1.174  20.426   7.674
  736    HE2  TYR 119           HE2      TYR 119  -4.720  18.402   6.311
  737    HH   TYR 119           HH       TYR 119  -3.134  20.344   8.860
  738    H    ALA 120           H        ALA 120   2.189  16.973   2.513
  739    HA   ALA 120           HA       ALA 120   4.321  17.679   4.387
  740    HB1  ALA 120           HB1      ALA 120   4.691  16.177   2.478
  741    HB2  ALA 120           HB2      ALA 120   5.690  17.640   2.338
  742    HB3  ALA 120           HB3      ALA 120   4.223  17.459   1.348
  743    H    TYR 121           H        TYR 121   3.563  19.609   5.304
  744    HA   TYR 121           HA       TYR 121   4.168  22.023   3.709
  745    HB2  TYR 121           HB2      TYR 121   1.673  21.664   3.633
  746    HB3  TYR 121           HB3      TYR 121   1.629  21.817   5.377
  747    HD1  TYR 121           HD1      TYR 121   2.421  24.015   6.441
  748    HD2  TYR 121           HD2      TYR 121   1.731  23.589   2.211
  749    HE1  TYR 121           HE1      TYR 121   2.427  26.488   6.196
  750    HE2  TYR 121           HE2      TYR 121   1.722  26.067   1.959
  751    HH   TYR 121           HH       TYR 121   1.993  28.067   2.998
  752    H1   ACE   6           H1       ACE   6  21.784   4.363  -6.107
  753    H2   ACE   6           H2       ACE   6  21.187   3.012  -7.093
  754    H3   ACE   6           H3       ACE   6  20.634   4.667  -7.431
  755    H    THR   7           H        THR   7  19.932   5.703  -5.093
  756    HA   THR   7           HA       THR   7  18.582   4.204  -3.164
  757    HB   THR   7           HB       THR   7  19.058   6.628  -3.049
  758    HG1  THR   7           HG1      THR   7  16.465   6.765  -2.451
  759   HG21  THR   7          HG21      THR   7  18.150   7.349  -5.263
  760   HG22  THR   7          HG22      THR   7  16.509   7.023  -4.671
  761   HG23  THR   7          HG23      THR   7  17.509   8.271  -3.896
  762    H    THR   8           H        THR   8  16.344   3.740  -2.737
  763    HA   THR   8           HA       THR   8  14.404   3.688  -4.966
  764    HB   THR   8           HB       THR   8  15.435   1.101  -3.696
  765    HG1  THR   8           HG1      THR   8  16.390   2.515  -5.711
  766   HG21  THR   8          HG21      THR   8  14.184  -0.050  -5.493
  767   HG22  THR   8          HG22      THR   8  13.094   0.844  -4.447
  768   HG23  THR   8          HG23      THR   8  13.538   1.494  -6.051
  769    HA   PRO   9           HA       PRO   9  11.404   3.599  -1.452
  770    HB2  PRO   9           HB2      PRO   9  10.157   1.566  -3.326
  771    HB3  PRO   9           HB3      PRO   9   9.339   2.798  -2.313
  772    HG2  PRO   9           HG2      PRO   9   9.733   3.293  -4.935
  773    HG3  PRO   9           HG3      PRO   9  10.094   4.575  -3.737
  774    HD2  PRO   9           HD2      PRO   9  11.986   2.743  -5.168
  775    HD3  PRO   9           HD3      PRO   9  12.168   4.475  -4.790
  776    H    ASP  10           H        ASP  10  10.637   2.008   0.118
  777    HA   ASP  10           HA       ASP  10  12.522  -0.261   0.522
  778    HB2  ASP  10           HB2      ASP  10  10.298   0.941   2.223
  779    HB3  ASP  10           HB3      ASP  10  11.215  -0.480   2.690
  780    H2   TYS  11           H2       TYS  11  11.996  -1.850  -0.899
  781    HA   TYS  11           HA       TYS  11   9.649  -1.944  -2.350
  782    HB2  TYS  11           HB2      TYS  11  12.116  -3.610  -2.164
  783    HB3  TYS  11           HB3      TYS  11  10.735  -4.621  -2.376
  784    HD1  TYS  11           HD1      TYS  11   9.643  -4.800  -4.409
  785    HD2  TYS  11           HD2      TYS  11  12.099  -1.373  -3.652
  786    HE1  TYS  11           HE1      TYS  11   9.368  -4.156  -6.668
  787    HE2  TYS  11           HE2      TYS  11  11.666  -0.589  -5.884
  788    H    GLY  12           H        GLY  12  10.538  -3.739   0.276
  789    HA2  GLY  12           HA2      GLY  12   7.963  -4.943   0.872
  790    HA3  GLY  12           HA3      GLY  12   9.040  -5.982  -0.028
  791    H    HIS  13           H        HIS  13   8.145  -5.024   3.100
  792    HA   HIS  13           HA       HIS  13  10.113  -6.939   4.128
  793    HB2  HIS  13           HB2      HIS  13  10.805  -5.526   5.988
  794    HB3  HIS  13           HB3      HIS  13  11.371  -4.887   4.448
  795    HD1  HIS  13           HD1      HIS  13  10.010  -2.736   3.459
  796    HD2  HIS  13           HD2      HIS  13   8.966  -3.974   7.366
  797    HE1  HIS  13           HE1      HIS  13   8.368  -0.949   4.448
  798    HE2  HIS  13           HE2      HIS  13   8.066  -1.542   6.907
  799    H2   TYS  14           H2       TYS  14   9.643  -7.818   6.102
  800    HA   TYS  14           HA       TYS  14   6.781  -7.615   6.852
  801    HB2  TYS  14           HB2      TYS  14   8.869  -9.805   7.218
  802    HB3  TYS  14           HB3      TYS  14   7.282  -9.861   7.931
  803    HD1  TYS  14           HD1      TYS  14   8.805  -9.555   4.361
  804    HD2  TYS  14           HD2      TYS  14   5.478 -10.826   6.850
  805    HE1  TYS  14           HE1      TYS  14   8.012 -10.958   2.616
  806    HE2  TYS  14           HE2      TYS  14   4.669 -12.177   5.032
  807    H    ASP  15           H        ASP  15   6.060  -7.078   8.734
  808    HA   ASP  15           HA       ASP  15   8.115  -5.759  10.470
  809    HB2  ASP  15           HB2      ASP  15   6.965  -3.888  10.409
  810    HB3  ASP  15           HB3      ASP  15   6.342  -4.523   8.919
  811    H    ASP  16           H        ASP  16   7.418  -5.137  12.644
  812    HA   ASP  16           HA       ASP  16   5.382  -6.865  13.895
  813    HB2  ASP  16           HB2      ASP  16   8.135  -6.501  15.122
  814    HB3  ASP  16           HB3      ASP  16   6.860  -7.579  15.683
  815    H    LYS  17           H        LYS  17   5.509  -3.923  13.266
  816    HA   LYS  17           HA       LYS  17   5.025  -2.658  15.853
  817    HB2  LYS  17           HB2      LYS  17   7.050  -1.186  15.848
  818    HB3  LYS  17           HB3      LYS  17   7.381  -2.870  16.217
  819    HG2  LYS  17           HG2      LYS  17   8.263  -3.269  13.974
  820    HG3  LYS  17           HG3      LYS  17   7.795  -1.638  13.451
  821    HD2  LYS  17           HD2      LYS  17   9.326  -0.622  15.018
  822    HD3  LYS  17           HD3      LYS  17   9.749  -2.189  15.730
  823    HE2  LYS  17           HE2      LYS  17  10.218  -1.451  12.809
  824    HE3  LYS  17           HE3      LYS  17  11.420  -1.201  14.081
  825    HZ1  LYS  17           HZ1      LYS  17  11.671  -3.332  12.834
  826    HZ2  LYS  17           HZ2      LYS  17  10.292  -3.892  13.440
  827    HZ3  LYS  17           HZ3      LYS  17  11.554  -3.560  14.448
  828    H    ASP  18           H        ASP  18   5.205  -2.332  12.426
  829    HA   ASP  18           HA       ASP  18   4.405   0.565  12.539
  830    HB2  ASP  18           HB2      ASP  18   5.676  -1.162  10.391
  831    HB3  ASP  18           HB3      ASP  18   4.886   0.361  10.020
  832    H    THR  19           H        THR  19   3.229  -2.622  11.753
  833    HA   THR  19           HA       THR  19   1.457  -2.557   9.842
  834    HB   THR  19           HB       THR  19   1.597  -4.538  11.197
  835    HG1  THR  19           HG1      THR  19  -0.121  -5.097  10.634
  836   HG21  THR  19          HG21      THR  19   0.104  -3.123  13.395
  837   HG22  THR  19          HG22      THR  19   1.825  -3.578  13.446
  838   HG23  THR  19          HG23      THR  19   0.597  -4.834  13.336
  839    H    LEU  20           H        LEU  20  -0.696  -2.195   9.288
  840    HA   LEU  20           HA       LEU  20  -2.215  -0.196  10.849
  841    HB2  LEU  20           HB2      LEU  20  -1.933   0.431   8.486
  842    HB3  LEU  20           HB3      LEU  20  -2.458  -1.183   7.983
  843    HG   LEU  20           HG       LEU  20  -4.707  -0.726   8.959
  844   HD11  LEU  20          HD11      LEU  20  -4.192   0.964  10.663
  845   HD12  LEU  20          HD12      LEU  20  -5.295   1.654   9.470
  846   HD13  LEU  20          HD13      LEU  20  -3.570   2.074   9.416
  847   HD21  LEU  20          HD21      LEU  20  -5.364   0.853   7.172
  848   HD22  LEU  20          HD22      LEU  20  -4.197  -0.357   6.647
  849   HD23  LEU  20          HD23      LEU  20  -3.651   1.302   6.940
  850    H    ASP  21           H        ASP  21  -3.547  -1.085  12.160
  851    HA   ASP  21           HA       ASP  21  -4.753  -3.762  11.934
  852    HB2  ASP  21           HB2      ASP  21  -5.856  -3.052  14.049
  853    HB3  ASP  21           HB3      ASP  21  -4.111  -2.943  14.125
  854    H    LEU  22           H        LEU  22  -6.624  -4.109  10.951
  855    HA   LEU  22           HA       LEU  22  -7.997  -1.812   9.695
  856    HB2  LEU  22           HB2      LEU  22  -6.639  -4.022   8.725
  857    HB3  LEU  22           HB3      LEU  22  -8.299  -4.578   8.647
  858    HG   LEU  22           HG       LEU  22  -8.796  -2.459   7.280
  859   HD11  LEU  22          HD11      LEU  22  -5.747  -2.333   7.426
  860   HD12  LEU  22          HD12      LEU  22  -6.884  -1.074   7.939
  861   HD13  LEU  22          HD13      LEU  22  -6.723  -1.463   6.213
  862   HD21  LEU  22          HD21      LEU  22  -6.639  -4.375   6.299
  863   HD22  LEU  22          HD22      LEU  22  -7.702  -3.396   5.259
  864   HD23  LEU  22          HD23      LEU  22  -8.394  -4.680   6.282
  865    H    ASN  23           H        ASN  23  -8.949  -3.903  12.184
  866    HA   ASN  23           HA       ASN  23 -11.803  -3.561  11.506
  867    HB2  ASN  23           HB2      ASN  23 -12.363  -5.802  11.209
  868    HB3  ASN  23           HB3      ASN  23 -10.936  -5.578  10.205
  869   HD21  ASN  23          HD21      ASN  23  -8.894  -5.853  12.396
  870   HD22  ASN  23          HD22      ASN  23  -8.981  -7.553  12.775
  871    H    THR  24           H        THR  24  -9.638  -3.828  14.100
  872    HA   THR  24           HA       THR  24  -9.879  -4.454  16.326
  873    HB   THR  24           HB       THR  24 -10.130  -2.129  16.228
  874    HG1  THR  24           HG1      THR  24 -12.230  -3.141  17.794
  875   HG21  THR  24          HG21      THR  24 -12.452  -1.091  16.108
  876   HG22  THR  24          HG22      THR  24 -11.805  -1.768  14.598
  877   HG23  THR  24          HG23      THR  24 -13.020  -2.674  15.499
  878    HA   PRO  25           HA       PRO  25 -13.610  -7.212  15.884
  879    HB2  PRO  25           HB2      PRO  25 -12.411  -9.663  16.042
  880    HB3  PRO  25           HB3      PRO  25 -12.462  -8.666  14.559
  881    HG2  PRO  25           HG2      PRO  25 -10.192  -9.016  16.521
  882    HG3  PRO  25           HG3      PRO  25 -10.147  -8.899  14.725
  883    HD2  PRO  25           HD2      PRO  25  -9.593  -6.793  16.417
  884    HD3  PRO  25           HD3      PRO  25 -10.177  -6.625  14.746
  885    H    VAL  26           H        VAL  26 -14.622  -8.870  17.192
  886    HA   VAL  26           HA       VAL  26 -13.638  -9.402  19.892
  887    HB   VAL  26           HB       VAL  26 -14.706  -7.121  20.003
  888   HG11  VAL  26          HG11      VAL  26 -17.106  -6.860  20.000
  889   HG12  VAL  26          HG12      VAL  26 -17.356  -8.573  19.635
  890   HG13  VAL  26          HG13      VAL  26 -16.601  -7.505  18.431
  891   HG21  VAL  26          HG21      VAL  26 -14.489  -8.588  22.009
  892   HG22  VAL  26          HG22      VAL  26 -16.147  -9.174  21.723
  893   HG23  VAL  26          HG23      VAL  26 -15.856  -7.469  22.082
  894    H    ASP  27           H        ASP  27 -14.721 -11.113  20.908
  895    HA   ASP  27           HA       ASP  27 -17.084 -12.372  19.550
  896    HB2  ASP  27           HB2      ASP  27 -14.578 -13.721  20.646
  897    HB3  ASP  27           HB3      ASP  27 -16.069 -14.580  20.270
  898    H    LYS  28           H        LYS  28 -15.386 -11.635  22.536
  899    HA   LYS  28           HA       LYS  28 -17.786 -12.037  24.190
  900    HB2  LYS  28           HB2      LYS  28 -16.571 -14.258  24.127
  901    HB3  LYS  28           HB3      LYS  28 -15.112 -13.445  24.682
  902    HG2  LYS  28           HG2      LYS  28 -16.014 -14.456  26.591
  903    HG3  LYS  28           HG3      LYS  28 -16.430 -12.749  26.770
  904    HD2  LYS  28           HD2      LYS  28 -18.720 -13.343  25.777
  905    HD3  LYS  28           HD3      LYS  28 -18.253 -15.041  25.901
  906    HE2  LYS  28           HE2      LYS  28 -18.476 -13.025  28.184
  907    HE3  LYS  28           HE3      LYS  28 -19.636 -14.296  27.798
  908    HZ1  LYS  28           HZ1      LYS  28 -18.265 -15.025  29.571
  909    HZ2  LYS  28           HZ2      LYS  28 -16.869 -14.690  28.787
  910    HZ3  LYS  28           HZ3      LYS  28 -17.823 -15.923  28.256
  911    HN1  NH2  29           HN1      NH2  29 -16.533  -9.092  25.658
  912    HN2  NH2  29           HN2      NH2  29 -17.913 -10.036  25.128
  Start of MODEL   24
    1    H1   ASN  31           H1       ASN  31   8.733  14.134 -11.303
    2    H2   ASN  31           H2       ASN  31   9.965  13.046 -11.373
    3    H3   ASN  31           H3       ASN  31   8.439  12.538 -11.032
    4    HA   ASN  31           HA       ASN  31  10.127  14.282  -9.379
    5    HB2  ASN  31           HB2      ASN  31   7.423  13.125  -8.589
    6    HB3  ASN  31           HB3      ASN  31   8.471  14.124  -7.608
    7   HD21  ASN  31          HD21      ASN  31   5.655  14.689  -8.448
    8   HD22  ASN  31          HD22      ASN  31   5.726  16.122  -9.452
    9    H    SER  32           H        SER  32   8.477  11.052  -9.251
   10    HA   SER  32           HA       SER  32  10.973   9.825  -8.201
   11    HB2  SER  32           HB2      SER  32   8.338  10.070  -6.717
   12    HB3  SER  32           HB3      SER  32   9.429   8.708  -6.408
   13    HG   SER  32           HG       SER  32  11.013   9.998  -5.819
   14    H    GLY  33           H        GLY  33   9.529   9.621 -10.761
   15    HA2  GLY  33           HA2      GLY  33   8.749   8.071 -12.254
   16    HA3  GLY  33           HA3      GLY  33   9.758   6.929 -11.358
   17    H    LEU  34           H        LEU  34   6.719   8.560 -10.297
   18    HA   LEU  34           HA       LEU  34   5.451   5.882 -10.042
   19    HB2  LEU  34           HB2      LEU  34   6.495   7.366  -7.876
   20    HB3  LEU  34           HB3      LEU  34   4.747   7.548  -7.792
   21    HG   LEU  34           HG       LEU  34   6.255   4.925  -7.841
   22   HD11  LEU  34          HD11      LEU  34   5.406   4.712  -5.536
   23   HD12  LEU  34          HD12      LEU  34   4.649   6.320  -5.661
   24   HD13  LEU  34          HD13      LEU  34   6.421   6.144  -5.724
   25   HD21  LEU  34          HD21      LEU  34   4.070   3.882  -7.328
   26   HD22  LEU  34          HD22      LEU  34   4.065   4.600  -8.931
   27   HD23  LEU  34          HD23      LEU  34   3.258   5.447  -7.593
   28    HA   PRO  35           HA       PRO  35   2.194   8.238 -12.221
   29    HB2  PRO  35           HB2      PRO  35   1.014   5.502 -11.691
   30    HB3  PRO  35           HB3      PRO  35   0.825   6.542 -13.138
   31    HG2  PRO  35           HG2      PRO  35   2.597   4.511 -13.189
   32    HG3  PRO  35           HG3      PRO  35   3.078   6.118 -13.828
   33    HD2  PRO  35           HD2      PRO  35   3.721   4.891 -11.138
   34    HD3  PRO  35           HD3      PRO  35   4.776   5.820 -12.244
   35    H    THR  36           H        THR  36  -0.110   8.650 -11.821
   36    HA   THR  36           HA       THR  36  -0.705   8.828  -8.895
   37    HB   THR  36           HB       THR  36  -0.046  10.919  -9.914
   38    HG1  THR  36           HG1      THR  36  -2.776  10.916  -9.289
   39   HG21  THR  36          HG21      THR  36  -1.592  12.154 -11.380
   40   HG22  THR  36          HG22      THR  36  -2.585  10.693 -11.589
   41   HG23  THR  36          HG23      THR  36  -0.912  10.747 -12.186
   42    H    THR  37           H        THR  37  -1.671   6.658 -10.841
   43    HA   THR  37           HA       THR  37  -4.518   6.808  -9.965
   44    HB   THR  37           HB       THR  37  -5.205   5.652 -12.046
   45    HG1  THR  37           HG1      THR  37  -3.805   5.062 -13.448
   46   HG21  THR  37          HG21      THR  37  -5.125   7.560 -13.551
   47   HG22  THR  37          HG22      THR  37  -3.830   8.317 -12.605
   48   HG23  THR  37          HG23      THR  37  -5.447   8.116 -11.902
   49    H    LEU  38           H        LEU  38  -5.432   4.902  -9.223
   50    HA   LEU  38           HA       LEU  38  -3.569   2.997  -8.184
   51    HB2  LEU  38           HB2      LEU  38  -6.591   3.025  -8.307
   52    HB3  LEU  38           HB3      LEU  38  -5.724   1.615  -7.728
   53    HG   LEU  38           HG       LEU  38  -5.610   4.372  -6.469
   54   HD11  LEU  38          HD11      LEU  38  -7.731   3.032  -6.116
   55   HD12  LEU  38          HD12      LEU  38  -6.819   3.324  -4.637
   56   HD13  LEU  38          HD13      LEU  38  -6.749   1.733  -5.424
   57   HD21  LEU  38          HD21      LEU  38  -4.294   1.735  -5.640
   58   HD22  LEU  38          HD22      LEU  38  -4.409   3.182  -4.614
   59   HD23  LEU  38          HD23      LEU  38  -3.459   3.236  -6.095
   60    H    GLY  39           H        GLY  39  -5.415   2.852 -11.211
   61    HA2  GLY  39           HA2      GLY  39  -5.079   0.138 -11.852
   62    HA3  GLY  39           HA3      GLY  39  -5.070   1.446 -13.037
   63    H    LYS  40           H        LYS  40  -2.630   2.646 -11.856
   64    HA   LYS  40           HA       LYS  40  -0.575   0.856 -13.077
   65    HB2  LYS  40           HB2      LYS  40  -0.534   3.817 -12.380
   66    HB3  LYS  40           HB3      LYS  40   0.784   2.914 -13.153
   67    HG2  LYS  40           HG2      LYS  40  -0.750   2.364 -15.055
   68    HG3  LYS  40           HG3      LYS  40  -2.005   3.359 -14.316
   69    HD2  LYS  40           HD2      LYS  40  -0.573   5.334 -14.445
   70    HD3  LYS  40           HD3      LYS  40   0.725   4.384 -15.203
   71    HE2  LYS  40           HE2      LYS  40  -0.634   3.952 -17.157
   72    HE3  LYS  40           HE3      LYS  40  -2.082   4.600 -16.369
   73    HZ1  LYS  40           HZ1      LYS  40  -1.056   6.220 -17.904
   74    HZ2  LYS  40           HZ2      LYS  40   0.318   6.226 -17.023
   75    HZ3  LYS  40           HZ3      LYS  40  -1.089   6.783 -16.368
   76    H    LEU  41           H        LEU  41  -1.355   2.471  -9.983
   77    HA   LEU  41           HA       LEU  41   1.139   1.656  -8.751
   78    HB2  LEU  41           HB2      LEU  41  -0.130   3.559  -7.869
   79    HB3  LEU  41           HB3      LEU  41  -1.497   2.500  -7.495
   80    HG   LEU  41           HG       LEU  41  -0.121   1.251  -5.873
   81   HD11  LEU  41          HD11      LEU  41   2.041   2.062  -5.143
   82   HD12  LEU  41          HD12      LEU  41   2.026   3.349  -6.364
   83   HD13  LEU  41          HD13      LEU  41   2.157   1.631  -6.838
   84   HD21  LEU  41          HD21      LEU  41   0.106   2.934  -4.143
   85   HD22  LEU  41          HD22      LEU  41  -1.401   3.160  -5.056
   86   HD23  LEU  41          HD23      LEU  41  -0.014   4.233  -5.359
   87    H    ASP  42           H        ASP  42  -2.140   0.189  -8.775
   88    HA   ASP  42           HA       ASP  42  -1.597  -1.983  -6.974
   89    HB2  ASP  42           HB2      ASP  42  -3.821  -1.030  -7.697
   90    HB3  ASP  42           HB3      ASP  42  -3.571  -1.735  -9.295
   91    H    GLU  43           H        GLU  43  -1.154  -1.654 -10.444
   92    HA   GLU  43           HA       GLU  43  -0.309  -4.301 -11.123
   93    HB2  GLU  43           HB2      GLU  43  -0.920  -2.373 -12.671
   94    HB3  GLU  43           HB3      GLU  43   0.607  -1.616 -12.249
   95    HG2  GLU  43           HG2      GLU  43   0.982  -2.646 -14.306
   96    HG3  GLU  43           HG3      GLU  43   1.726  -3.734 -13.139
   97    H    ARG  44           H        ARG  44   1.499  -1.427  -9.960
   98    HA   ARG  44           HA       ARG  44   4.060  -2.758  -9.864
   99    HB2  ARG  44           HB2      ARG  44   3.462  -0.202  -9.967
  100    HB3  ARG  44           HB3      ARG  44   3.360  -0.314  -8.210
  101    HG2  ARG  44           HG2      ARG  44   5.678  -1.243  -8.154
  102    HG3  ARG  44           HG3      ARG  44   5.767  -1.137  -9.907
  103    HD2  ARG  44           HD2      ARG  44   5.292   1.278  -8.139
  104    HD3  ARG  44           HD3      ARG  44   6.894   0.726  -8.664
  105    HE   ARG  44           HE       ARG  44   5.095   1.043 -10.922
  106   HH11  ARG  44          HH11      ARG  44   7.202   2.926  -8.800
  107   HH12  ARG  44          HH12      ARG  44   7.463   4.112 -10.080
  108   HH21  ARG  44          HH21      ARG  44   5.789   2.406 -12.477
  109   HH22  ARG  44          HH22      ARG  44   6.774   3.781 -12.084
  110    H    LEU  45           H        LEU  45   1.635  -2.045  -7.315
  111    HA   LEU  45           HA       LEU  45   3.169  -3.124  -5.158
  112    HB2  LEU  45           HB2      LEU  45   0.208  -2.616  -5.543
  113    HB3  LEU  45           HB3      LEU  45   0.876  -3.208  -4.030
  114    HG   LEU  45           HG       LEU  45   1.665  -0.572  -5.345
  115   HD11  LEU  45          HD11      LEU  45   0.398   0.456  -3.509
  116   HD12  LEU  45          HD12      LEU  45  -0.058  -1.147  -2.906
  117   HD13  LEU  45          HD13      LEU  45  -0.653  -0.595  -4.482
  118   HD21  LEU  45          HD21      LEU  45   2.396  -1.724  -2.622
  119   HD22  LEU  45          HD22      LEU  45   2.690  -0.061  -3.139
  120   HD23  LEU  45          HD23      LEU  45   3.516  -1.375  -3.967
  121    H    ARG  46           H        ARG  46   0.941  -4.767  -7.404
  122    HA   ARG  46           HA       ARG  46   1.046  -7.387  -6.135
  123    HB2  ARG  46           HB2      ARG  46   0.631  -6.430  -8.998
  124    HB3  ARG  46           HB3      ARG  46   0.591  -8.147  -8.561
  125    HG2  ARG  46           HG2      ARG  46  -1.313  -7.857  -7.143
  126    HG3  ARG  46           HG3      ARG  46  -1.160  -6.097  -7.167
  127    HD2  ARG  46           HD2      ARG  46  -1.569  -6.285  -9.722
  128    HD3  ARG  46           HD3      ARG  46  -2.142  -7.927  -9.375
  129    HE   ARG  46           HE       ARG  46  -3.184  -5.428  -8.046
  130   HH11  ARG  46          HH11      ARG  46  -4.073  -8.592  -9.390
  131   HH12  ARG  46          HH12      ARG  46  -5.706  -8.411  -8.783
  132   HH21  ARG  46          HH21      ARG  46  -5.223  -5.207  -7.628
  133   HH22  ARG  46          HH22      ARG  46  -6.360  -6.565  -7.816
  134    H    ASN  47           H        ASN  47   3.170  -5.676  -8.428
  135    HA   ASN  47           HA       ASN  47   5.048  -7.923  -8.568
  136    HB2  ASN  47           HB2      ASN  47   5.269  -5.008  -9.387
  137    HB3  ASN  47           HB3      ASN  47   6.599  -6.133  -9.487
  138   HD21  ASN  47          HD21      ASN  47   5.011  -4.687 -11.561
  139   HD22  ASN  47          HD22      ASN  47   4.535  -5.963 -12.672
  140    H    TYR  48           H        TYR  48   4.845  -5.068  -6.377
  141    HA   TYR  48           HA       TYR  48   7.360  -5.322  -5.238
  142    HB2  TYR  48           HB2      TYR  48   4.795  -4.211  -4.293
  143    HB3  TYR  48           HB3      TYR  48   5.938  -4.580  -3.085
  144    HD1  TYR  48           HD1      TYR  48   5.254  -2.388  -5.988
  145    HD2  TYR  48           HD2      TYR  48   7.832  -3.208  -2.675
  146    HE1  TYR  48           HE1      TYR  48   6.273  -0.136  -6.245
  147    HE2  TYR  48           HE2      TYR  48   8.899  -0.947  -2.960
  148    HH   TYR  48           HH       TYR  48   7.908   1.298  -5.560
  149    H    LEU  49           H        LEU  49   4.515  -7.269  -4.335
  150    HA   LEU  49           HA       LEU  49   5.938  -8.620  -2.209
  151    HB2  LEU  49           HB2      LEU  49   3.563  -9.458  -3.917
  152    HB3  LEU  49           HB3      LEU  49   4.172 -10.420  -2.564
  153    HG   LEU  49           HG       LEU  49   3.238  -7.566  -2.263
  154   HD11  LEU  49          HD11      LEU  49   1.366  -8.917  -3.045
  155   HD12  LEU  49          HD12      LEU  49   1.156  -8.663  -1.302
  156   HD13  LEU  49          HD13      LEU  49   1.776 -10.215  -1.909
  157   HD21  LEU  49          HD21      LEU  49   3.024  -8.120   0.119
  158   HD22  LEU  49          HD22      LEU  49   4.689  -8.323  -0.425
  159   HD23  LEU  49          HD23      LEU  49   3.650  -9.749  -0.193
  160    H    LYS  50           H        LYS  50   5.499  -9.570  -5.676
  161    HA   LYS  50           HA       LYS  50   7.018 -11.995  -5.415
  162    HB2  LYS  50           HB2      LYS  50   6.879 -10.235  -7.885
  163    HB3  LYS  50           HB3      LYS  50   7.302 -11.951  -7.764
  164    HG2  LYS  50           HG2      LYS  50   4.998 -12.489  -7.046
  165    HG3  LYS  50           HG3      LYS  50   4.536 -10.788  -7.211
  166    HD2  LYS  50           HD2      LYS  50   5.616 -12.533  -9.466
  167    HD3  LYS  50           HD3      LYS  50   3.903 -12.214  -9.186
  168    HE2  LYS  50           HE2      LYS  50   4.148  -9.863  -9.670
  169    HE3  LYS  50           HE3      LYS  50   5.909  -9.964  -9.646
  170    HZ1  LYS  50           HZ1      LYS  50   4.199 -11.280 -11.681
  171    HZ2  LYS  50           HZ2      LYS  50   5.854 -11.309 -11.622
  172    HZ3  LYS  50           HZ3      LYS  50   5.056  -9.897 -11.886
  173    H    LYS  51           H        LYS  51   8.028  -8.761  -6.436
  174    HA   LYS  51           HA       LYS  51  10.861  -9.130  -6.670
  175    HB2  LYS  51           HB2      LYS  51   9.073  -6.760  -6.214
  176    HB3  LYS  51           HB3      LYS  51  10.823  -6.602  -6.436
  177    HG2  LYS  51           HG2      LYS  51  10.690  -7.532  -8.657
  178    HG3  LYS  51           HG3      LYS  51   8.942  -7.841  -8.474
  179    HD2  LYS  51           HD2      LYS  51   8.511  -5.486  -8.194
  180    HD3  LYS  51           HD3      LYS  51  10.236  -5.091  -8.284
  181    HE2  LYS  51           HE2      LYS  51   8.938  -6.591 -10.557
  182    HE3  LYS  51           HE3      LYS  51   8.562  -4.875 -10.341
  183    HZ1  LYS  51           HZ1      LYS  51  10.402  -5.134 -11.810
  184    HZ2  LYS  51           HZ2      LYS  51  10.930  -4.387 -10.422
  185    HZ3  LYS  51           HZ3      LYS  51  11.292  -5.968 -10.698
  186    H    GLY  52           H        GLY  52   8.995  -9.066  -3.790
  187    HA2  GLY  52           HA2      GLY  52  11.190  -7.796  -2.207
  188    HA3  GLY  52           HA3      GLY  52   9.458  -7.663  -1.975
  189    H    THR  53           H        THR  53   8.628 -10.328  -2.019
  190    HA   THR  53           HA       THR  53   9.520 -11.246   0.639
  191    HB   THR  53           HB       THR  53   7.464 -12.440   0.712
  192    HG1  THR  53           HG1      THR  53   6.935 -11.584  -1.977
  193   HG21  THR  53          HG21      THR  53   5.693 -10.786   0.298
  194   HG22  THR  53          HG22      THR  53   6.898  -9.697  -0.431
  195   HG23  THR  53          HG23      THR  53   7.039 -10.207   1.264
  196    H    LYS  54           H        LYS  54   9.337 -13.690   1.012
  197    HA   LYS  54           HA       LYS  54  10.767 -15.259  -0.998
  198    HB2  LYS  54           HB2      LYS  54   9.430 -16.144   1.585
  199    HB3  LYS  54           HB3      LYS  54  10.477 -17.129   0.575
  200    HG2  LYS  54           HG2      LYS  54  12.407 -15.775   1.043
  201    HG3  LYS  54           HG3      LYS  54  11.436 -14.529   1.824
  202    HD2  LYS  54           HD2      LYS  54  10.786 -16.143   3.600
  203    HD3  LYS  54           HD3      LYS  54  11.859 -17.358   2.865
  204    HE2  LYS  54           HE2      LYS  54  13.800 -15.854   3.190
  205    HE3  LYS  54           HE3      LYS  54  12.722 -14.588   3.813
  206    HZ1  LYS  54           HZ1      LYS  54  13.174 -17.221   5.108
  207    HZ2  LYS  54           HZ2      LYS  54  12.138 -16.054   5.636
  208    HZ3  LYS  54           HZ3      LYS  54  13.740 -15.753   5.648
  209    H    ASN  55           H        ASN  55   7.346 -14.951   0.102
  210    HA   ASN  55           HA       ASN  55   6.538 -16.092  -2.476
  211    HB2  ASN  55           HB2      ASN  55   6.698 -18.032  -0.865
  212    HB3  ASN  55           HB3      ASN  55   5.595 -17.190   0.214
  213   HD21  ASN  55          HD21      ASN  55   4.150 -19.001   0.061
  214   HD22  ASN  55          HD22      ASN  55   3.137 -19.191  -1.366
  215    H    SER  56           H        SER  56   5.398 -14.453  -3.281
  216    HA   SER  56           HA       SER  56   3.637 -12.685  -1.938
  217    HB2  SER  56           HB2      SER  56   4.590 -12.415  -4.251
  218    HB3  SER  56           HB3      SER  56   3.518 -13.709  -4.815
  219    HG   SER  56           HG       SER  56   2.171 -12.110  -5.133
  220    H    ALA  57           H        ALA  57   3.086 -16.033  -3.028
  221    HA   ALA  57           HA       ALA  57   0.332 -15.724  -3.556
  222    HB1  ALA  57           HB1      ALA  57   0.338 -18.140  -3.832
  223    HB2  ALA  57           HB2      ALA  57   1.882 -18.269  -2.966
  224    HB3  ALA  57           HB3      ALA  57   1.810 -17.450  -4.539
  225    H    GLN  58           H        GLN  58   1.635 -15.794  -0.400
  226    HA   GLN  58           HA       GLN  58  -0.808 -16.985   0.778
  227    HB2  GLN  58           HB2      GLN  58   0.233 -16.606   2.923
  228    HB3  GLN  58           HB3      GLN  58   1.271 -17.557   1.866
  229    HG2  GLN  58           HG2      GLN  58   2.687 -15.604   1.427
  230    HG3  GLN  58           HG3      GLN  58   1.643 -14.566   2.371
  231   HE21  GLN  58          HE21      GLN  58   4.581 -15.267   2.748
  232   HE22  GLN  58          HE22      GLN  58   4.612 -15.801   4.425
  233    H    PHE  59           H        PHE  59   0.128 -13.930  -0.472
  234    HA   PHE  59           HA       PHE  59  -1.420 -12.343   1.451
  235    HB2  PHE  59           HB2      PHE  59   0.171 -11.593  -0.980
  236    HB3  PHE  59           HB3      PHE  59  -0.746 -10.453  -0.007
  237    HD1  PHE  59           HD1      PHE  59  -0.164 -10.003   2.367
  238    HD2  PHE  59           HD2      PHE  59   2.283 -12.574  -0.071
  239    HE1  PHE  59           HE1      PHE  59   1.654  -9.867   4.044
  240    HE2  PHE  59           HE2      PHE  59   4.100 -12.436   1.592
  241    HZ   PHE  59           HZ       PHE  59   3.792 -11.074   3.648
  242    H    GLU  60           H        GLU  60  -3.135 -10.980   0.940
  243    HA   GLU  60           HA       GLU  60  -4.984 -12.047  -1.173
  244    HB2  GLU  60           HB2      GLU  60  -5.317 -13.332   0.847
  245    HB3  GLU  60           HB3      GLU  60  -5.376 -11.868   1.837
  246    HG2  GLU  60           HG2      GLU  60  -7.461 -11.175   0.752
  247    HG3  GLU  60           HG3      GLU  60  -7.389 -12.584  -0.327
  248    H    LYS  61           H        LYS  61  -4.316  -9.404   1.169
  249    HA   LYS  61           HA       LYS  61  -5.398  -7.491  -0.768
  250    HB2  LYS  61           HB2      LYS  61  -7.045  -6.481   0.597
  251    HB3  LYS  61           HB3      LYS  61  -7.391  -8.202   0.593
  252    HG2  LYS  61           HG2      LYS  61  -6.344  -8.392   2.853
  253    HG3  LYS  61           HG3      LYS  61  -6.016  -6.647   2.845
  254    HD2  LYS  61           HD2      LYS  61  -8.399  -6.168   2.687
  255    HD3  LYS  61           HD3      LYS  61  -8.765  -7.874   2.506
  256    HE2  LYS  61           HE2      LYS  61  -7.370  -6.654   4.927
  257    HE3  LYS  61           HE3      LYS  61  -9.122  -6.854   4.826
  258    HZ1  LYS  61           HZ1      LYS  61  -7.216  -9.135   4.678
  259    HZ2  LYS  61           HZ2      LYS  61  -8.809  -9.242   4.638
  260    HZ3  LYS  61           HZ3      LYS  61  -8.067  -8.733   6.024
  261    H    MET  62           H        MET  62  -5.352  -5.277   0.199
  262    HA   MET  62           HA       MET  62  -3.060  -4.652   1.899
  263    HB2  MET  62           HB2      MET  62  -1.743  -3.492   0.218
  264    HB3  MET  62           HB3      MET  62  -1.948  -5.180  -0.238
  265    HG2  MET  62           HG2      MET  62  -3.690  -4.572  -1.856
  266    HG3  MET  62           HG3      MET  62  -3.589  -2.875  -1.362
  267    HE1  MET  62           HE1      MET  62  -2.086  -3.025  -5.021
  268    HE2  MET  62           HE2      MET  62  -3.308  -2.241  -3.997
  269    HE3  MET  62           HE3      MET  62  -3.412  -3.983  -4.346
  270    H    VAL  63           H        VAL  63  -2.721  -2.353   2.227
  271    HA   VAL  63           HA       VAL  63  -4.887  -0.541   1.378
  272    HB   VAL  63           HB       VAL  63  -5.560  -1.567   3.547
  273   HG11  VAL  63          HG11      VAL  63  -4.447  -1.201   5.554
  274   HG12  VAL  63          HG12      VAL  63  -3.269  -0.072   4.805
  275   HG13  VAL  63          HG13      VAL  63  -3.218  -1.794   4.438
  276   HG21  VAL  63          HG21      VAL  63  -6.378   0.664   2.971
  277   HG22  VAL  63          HG22      VAL  63  -4.949   1.403   3.740
  278   HG23  VAL  63          HG23      VAL  63  -6.118   0.481   4.711
  279    H    ILE  64           H        ILE  64  -4.208   1.512   1.030
  280    HA   ILE  64           HA       ILE  64  -1.246   2.006   1.149
  281    HB   ILE  64           HB       ILE  64  -3.284   2.820  -0.955
  282   HG12  ILE  64          HG12      ILE  64  -1.163   0.715  -1.453
  283   HG13  ILE  64          HG13      ILE  64  -2.734   0.243  -0.817
  284   HG21  ILE  64          HG21      ILE  64  -0.229   2.925  -0.985
  285   HG22  ILE  64          HG22      ILE  64  -1.316   4.325  -0.834
  286   HG23  ILE  64          HG23      ILE  64  -1.293   3.394  -2.324
  287   HD11  ILE  64          HD11      ILE  64  -3.864   1.295  -2.748
  288   HD12  ILE  64          HD12      ILE  64  -2.768  -0.026  -3.189
  289   HD13  ILE  64          HD13      ILE  64  -2.268   1.652  -3.454
  290    H    LEU  65           H        LEU  65  -0.583   3.986   1.941
  291    HA   LEU  65           HA       LEU  65  -2.669   6.048   2.513
  292    HB2  LEU  65           HB2      LEU  65  -0.271   5.732   4.309
  293    HB3  LEU  65           HB3      LEU  65  -1.769   6.575   4.597
  294    HG   LEU  65           HG       LEU  65  -1.443   3.539   4.562
  295   HD11  LEU  65          HD11      LEU  65  -1.734   3.688   6.968
  296   HD12  LEU  65          HD12      LEU  65  -1.931   5.453   6.878
  297   HD13  LEU  65          HD13      LEU  65  -0.369   4.714   6.491
  298   HD21  LEU  65          HD21      LEU  65  -3.751   4.171   3.938
  299   HD22  LEU  65          HD22      LEU  65  -3.822   5.295   5.303
  300   HD23  LEU  65          HD23      LEU  65  -3.714   3.536   5.582
  301    H    THR  66           H        THR  66  -2.165   8.101   1.923
  302    HA   THR  66           HA       THR  66   0.465   8.487   0.570
  303    HB   THR  66           HB       THR  66  -0.689   9.673  -1.199
  304    HG1  THR  66           HG1      THR  66  -2.389  10.567  -0.128
  305   HG21  THR  66          HG21      THR  66  -0.536   7.202  -1.405
  306   HG22  THR  66          HG22      THR  66  -1.906   7.909  -2.276
  307   HG23  THR  66          HG23      THR  66  -2.184   7.063  -0.737
  308    H    GLU  67           H        GLU  67   0.886  10.887  -0.059
  309    HA   GLU  67           HA       GLU  67   0.575  12.768   2.057
  310    HB2  GLU  67           HB2      GLU  67   0.422  13.674  -0.822
  311    HB3  GLU  67           HB3      GLU  67   1.040  14.518   0.560
  312    HG2  GLU  67           HG2      GLU  67   3.028  13.215   0.595
  313    HG3  GLU  67           HG3      GLU  67   2.413  12.049  -0.571
  314    H    ASN  68           H        ASN  68  -0.891  14.627   2.125
  315    HA   ASN  68           HA       ASN  68  -2.941  15.604   2.277
  316    HB2  ASN  68           HB2      ASN  68  -3.312  14.403  -0.473
  317    HB3  ASN  68           HB3      ASN  68  -4.098  15.836   0.142
  318   HD21  ASN  68          HD21      ASN  68  -2.454  15.593  -2.229
  319   HD22  ASN  68          HD22      ASN  68  -1.245  16.861  -1.967
  320    H    LYS  69           H        LYS  69  -2.806  13.162   3.552
  321    HA   LYS  69           HA       LYS  69  -3.994  11.717   4.765
  322    HB2  LYS  69           HB2      LYS  69  -6.280  13.641   4.245
  323    HB3  LYS  69           HB3      LYS  69  -6.167  12.477   5.574
  324    HG2  LYS  69           HG2      LYS  69  -4.054  13.585   6.347
  325    HG3  LYS  69           HG3      LYS  69  -4.265  14.821   5.104
  326    HD2  LYS  69           HD2      LYS  69  -6.156  14.287   7.424
  327    HD3  LYS  69           HD3      LYS  69  -4.990  15.614   7.260
  328    HE2  LYS  69           HE2      LYS  69  -6.210  16.291   5.129
  329    HE3  LYS  69           HE3      LYS  69  -7.474  15.133   5.561
  330    HZ1  LYS  69           HZ1      LYS  69  -7.752  16.386   7.656
  331    HZ2  LYS  69           HZ2      LYS  69  -7.979  17.384   6.353
  332    HZ3  LYS  69           HZ3      LYS  69  -6.590  17.457   7.180
  333    H    GLY  70           H        GLY  70  -4.054  11.214   1.764
  334    HA2  GLY  70           HA2      GLY  70  -6.421   9.709   1.225
  335    HA3  GLY  70           HA3      GLY  70  -4.878   9.496   0.419
  336    H    TYR  71           H        TYR  71  -6.949   7.683   1.441
  337    HA   TYR  71           HA       TYR  71  -5.249   5.550   2.550
  338    HB2  TYR  71           HB2      TYR  71  -6.243   6.418   4.578
  339    HB3  TYR  71           HB3      TYR  71  -7.819   6.555   3.828
  340    HD1  TYR  71           HD1      TYR  71  -8.962   4.292   3.017
  341    HD2  TYR  71           HD2      TYR  71  -5.873   4.528   6.051
  342    HE1  TYR  71           HE1      TYR  71  -9.719   2.157   3.969
  343    HE2  TYR  71           HE2      TYR  71  -6.711   2.440   7.037
  344    HH   TYR  71           HH       TYR  71  -8.376   0.838   7.001
  345    H    TYR  72           H        TYR  72  -5.635   3.802   1.241
  346    HA   TYR  72           HA       TYR  72  -8.282   3.493  -0.131
  347    HB2  TYR  72           HB2      TYR  72  -5.546   3.292  -1.453
  348    HB3  TYR  72           HB3      TYR  72  -7.091   2.971  -2.213
  349    HD1  TYR  72           HD1      TYR  72  -8.650   4.822  -2.768
  350    HD2  TYR  72           HD2      TYR  72  -4.726   5.565  -1.132
  351    HE1  TYR  72           HE1      TYR  72  -8.777   7.177  -3.538
  352    HE2  TYR  72           HE2      TYR  72  -4.854   7.936  -1.910
  353    HH   TYR  72           HH       TYR  72  -7.775   9.203  -3.553
  354    H    THR  73           H        THR  73  -9.026   1.401   0.052
  355    HA   THR  73           HA       THR  73  -7.058  -0.760   0.721
  356    HB   THR  73           HB       THR  73  -8.899  -0.444   2.324
  357    HG1  THR  73           HG1      THR  73  -9.487  -2.731   2.209
  358   HG21  THR  73          HG21      THR  73 -10.703  -1.543   0.123
  359   HG22  THR  73          HG22      THR  73 -10.774   0.112   0.775
  360   HG23  THR  73          HG23      THR  73 -11.131  -1.271   1.820
  361    H    VAL  74           H        VAL  74  -6.876  -2.625  -0.449
  362    HA   VAL  74           HA       VAL  74  -8.442  -3.004  -2.939
  363    HB   VAL  74           HB       VAL  74  -5.400  -2.907  -2.925
  364   HG11  VAL  74          HG11      VAL  74  -7.422  -3.403  -5.148
  365   HG12  VAL  74          HG12      VAL  74  -6.233  -4.566  -4.518
  366   HG13  VAL  74          HG13      VAL  74  -5.681  -3.151  -5.400
  367   HG21  VAL  74          HG21      VAL  74  -7.379  -0.972  -4.190
  368   HG22  VAL  74          HG22      VAL  74  -5.629  -1.000  -4.503
  369   HG23  VAL  74          HG23      VAL  74  -6.220  -0.609  -2.890
  370    H    TYR  75           H        TYR  75  -9.089  -5.077  -2.992
  371    HA   TYR  75           HA       TYR  75  -7.591  -7.245  -1.639
  372    HB2  TYR  75           HB2      TYR  75 -10.164  -7.079  -3.203
  373    HB3  TYR  75           HB3      TYR  75  -9.338  -8.615  -3.026
  374    HD1  TYR  75           HD1      TYR  75 -10.482  -5.733  -0.849
  375    HD2  TYR  75           HD2      TYR  75  -9.823  -9.987  -1.202
  376    HE1  TYR  75           HE1      TYR  75 -11.511  -6.085   1.383
  377    HE2  TYR  75           HE2      TYR  75 -10.889 -10.333   1.011
  378    HH   TYR  75           HH       TYR  75 -11.937  -9.359   2.796
  379    H    LEU  76           H        LEU  76  -5.974  -8.303  -2.524
  380    HA   LEU  76           HA       LEU  76  -5.031  -7.752  -5.267
  381    HB2  LEU  76           HB2      LEU  76  -4.017  -9.431  -2.928
  382    HB3  LEU  76           HB3      LEU  76  -3.168  -9.316  -4.457
  383    HG   LEU  76           HG       LEU  76  -3.830  -6.804  -2.865
  384   HD11  LEU  76          HD11      LEU  76  -1.608  -6.939  -1.880
  385   HD12  LEU  76          HD12      LEU  76  -1.346  -8.541  -2.610
  386   HD13  LEU  76          HD13      LEU  76  -2.596  -8.313  -1.363
  387   HD21  LEU  76          HD21      LEU  76  -1.657  -7.522  -4.883
  388   HD22  LEU  76          HD22      LEU  76  -1.834  -5.958  -4.087
  389   HD23  LEU  76          HD23      LEU  76  -3.081  -6.502  -5.212
  390    H    ASN  77           H        ASN  77  -6.732 -10.265  -3.555
  391    HA   ASN  77           HA       ASN  77  -5.961 -12.463  -5.183
  392    HB2  ASN  77           HB2      ASN  77  -6.702 -12.415  -2.730
  393    HB3  ASN  77           HB3      ASN  77  -8.362 -12.278  -3.316
  394   HD21  ASN  77          HD21      ASN  77  -8.886 -14.320  -2.307
  395   HD22  ASN  77          HD22      ASN  77  -8.297 -15.822  -2.998
  396    H    THR  78           H        THR  78  -7.391 -10.202  -6.636
  397    HA   THR  78           HA       THR  78  -8.990 -11.871  -8.434
  398    HB   THR  78           HB       THR  78 -10.779 -10.197  -8.658
  399    HG1  THR  78           HG1      THR  78 -10.960  -8.538  -7.209
  400   HG21  THR  78          HG21      THR  78 -10.584 -10.982  -5.724
  401   HG22  THR  78          HG22      THR  78 -11.166 -12.048  -7.020
  402   HG23  THR  78          HG23      THR  78 -12.048 -10.561  -6.642
  403    HA   PRO  79           HA       PRO  79  -6.944  -9.166 -11.473
  404    HB2  PRO  79           HB2      PRO  79  -9.618  -9.211 -12.875
  405    HB3  PRO  79           HB3      PRO  79  -7.982  -9.461 -13.558
  406    HG2  PRO  79           HG2      PRO  79  -9.554 -11.599 -13.093
  407    HG3  PRO  79           HG3      PRO  79  -7.829 -11.646 -12.583
  408    HD2  PRO  79           HD2      PRO  79 -10.242 -11.042 -10.861
  409    HD3  PRO  79           HD3      PRO  79  -8.886 -12.173 -10.563
  410    H    LEU  80           H        LEU  80  -6.958  -6.979 -12.212
  411    HA   LEU  80           HA       LEU  80  -7.878  -5.004 -10.431
  412    HB2  LEU  80           HB2      LEU  80  -5.891  -4.893 -11.849
  413    HB3  LEU  80           HB3      LEU  80  -6.886  -4.984 -13.299
  414    HG   LEU  80           HG       LEU  80  -7.799  -2.724 -12.857
  415   HD11  LEU  80          HD11      LEU  80  -7.576  -2.586 -10.401
  416   HD12  LEU  80          HD12      LEU  80  -6.692  -1.279 -11.202
  417   HD13  LEU  80          HD13      LEU  80  -5.809  -2.673 -10.549
  418   HD21  LEU  80          HD21      LEU  80  -5.755  -3.162 -14.212
  419   HD22  LEU  80          HD22      LEU  80  -4.760  -2.914 -12.775
  420   HD23  LEU  80          HD23      LEU  80  -5.715  -1.565 -13.434
  421    H    ALA  81           H        ALA  81  -9.444  -3.395 -10.575
  422    HA   ALA  81           HA       ALA  81 -11.673  -3.785 -12.529
  423    HB1  ALA  81           HB1      ALA  81 -11.676  -2.538  -9.751
  424    HB2  ALA  81           HB2      ALA  81 -12.252  -4.170 -10.157
  425    HB3  ALA  81           HB3      ALA  81 -13.081  -2.747 -10.819
  426    H    GLU  82           H        GLU  82 -12.270  -2.088 -13.832
  427    HA   GLU  82           HA       GLU  82 -10.497   0.057 -14.196
  428    HB2  GLU  82           HB2      GLU  82 -11.861   0.833 -15.927
  429    HB3  GLU  82           HB3      GLU  82 -11.845  -0.926 -15.964
  430    HG2  GLU  82           HG2      GLU  82 -14.105  -0.926 -14.867
  431    HG3  GLU  82           HG3      GLU  82 -14.119   0.839 -14.959
  432    H    ASP  83           H        ASP  83 -12.658  -0.032 -11.670
  433    HA   ASP  83           HA       ASP  83 -13.228   2.787 -11.270
  434    HB2  ASP  83           HB2      ASP  83 -12.613   0.523  -9.323
  435    HB3  ASP  83           HB3      ASP  83 -13.187   2.117  -8.853
  436    H    ARG  84           H        ARG  84 -10.520   0.647 -10.373
  437    HA   ARG  84           HA       ARG  84  -8.876   2.670  -9.119
  438    HB2  ARG  84           HB2      ARG  84  -8.389  -0.157 -10.147
  439    HB3  ARG  84           HB3      ARG  84  -7.126   0.794  -9.379
  440    HG2  ARG  84           HG2      ARG  84  -8.503   0.997  -7.333
  441    HG3  ARG  84           HG3      ARG  84  -9.798   0.085  -8.094
  442    HD2  ARG  84           HD2      ARG  84  -7.313  -1.428  -8.311
  443    HD3  ARG  84           HD3      ARG  84  -7.538  -0.918  -6.639
  444    HE   ARG  84           HE       ARG  84  -9.977  -1.848  -7.018
  445   HH11  ARG  84          HH11      ARG  84  -6.995  -3.533  -8.013
  446   HH12  ARG  84          HH12      ARG  84  -7.898  -5.043  -7.967
  447   HH21  ARG  84          HH21      ARG  84 -10.871  -3.762  -7.054
  448   HH22  ARG  84          HH22      ARG  84  -9.918  -5.200  -7.441
  449    H    LYS  85           H        LYS  85  -9.193   1.467 -12.397
  450    HA   LYS  85           HA       LYS  85  -6.744   2.553 -13.475
  451    HB2  LYS  85           HB2      LYS  85  -9.369   1.899 -14.854
  452    HB3  LYS  85           HB3      LYS  85  -7.882   2.369 -15.678
  453    HG2  LYS  85           HG2      LYS  85  -6.703   0.408 -14.646
  454    HG3  LYS  85           HG3      LYS  85  -8.248  -0.131 -13.966
  455    HD2  LYS  85           HD2      LYS  85  -9.194  -0.206 -16.303
  456    HD3  LYS  85           HD3      LYS  85  -7.601   0.270 -16.919
  457    HE2  LYS  85           HE2      LYS  85  -6.618  -1.786 -15.869
  458    HE3  LYS  85           HE3      LYS  85  -8.245  -2.278 -15.359
  459    HZ1  LYS  85           HZ1      LYS  85  -7.641  -3.335 -17.435
  460    HZ2  LYS  85           HZ2      LYS  85  -7.345  -1.875 -18.153
  461    HZ3  LYS  85           HZ3      LYS  85  -8.876  -2.283 -17.725
  462    H    ASN  86           H        ASN  86  -9.588   4.149 -12.448
  463    HA   ASN  86           HA       ASN  86  -8.858   6.604 -14.003
  464    HB2  ASN  86           HB2      ASN  86 -11.552   5.355 -13.314
  465    HB3  ASN  86           HB3      ASN  86 -11.369   6.985 -13.954
  466   HD21  ASN  86          HD21      ASN  86 -11.330   3.589 -14.787
  467   HD22  ASN  86          HD22      ASN  86 -10.887   3.856 -16.478
  468    H    VAL  87           H        VAL  87  -9.303   5.441 -10.764
  469    HA   VAL  87           HA       VAL  87 -10.066   7.965  -9.581
  470    HB   VAL  87           HB       VAL  87 -10.281   5.611  -8.622
  471   HG11  VAL  87          HG11      VAL  87  -8.568   4.673  -7.307
  472   HG12  VAL  87          HG12      VAL  87  -7.456   6.024  -7.608
  473   HG13  VAL  87          HG13      VAL  87  -7.903   4.927  -8.932
  474   HG21  VAL  87          HG21      VAL  87  -9.089   7.759  -6.824
  475   HG22  VAL  87          HG22      VAL  87 -10.094   6.382  -6.317
  476   HG23  VAL  87          HG23      VAL  87 -10.788   7.648  -7.341
  477    H    GLU  88           H        GLU  88  -8.833   9.675  -8.899
  478    HA   GLU  88           HA       GLU  88  -5.936   9.702  -9.594
  479    HB2  GLU  88           HB2      GLU  88  -7.809  11.902  -8.611
  480    HB3  GLU  88           HB3      GLU  88  -6.107  12.103  -9.032
  481    HG2  GLU  88           HG2      GLU  88  -6.594  11.419 -11.369
  482    HG3  GLU  88           HG3      GLU  88  -8.299  11.206 -10.958
  483    H    LEU  89           H        LEU  89  -4.414   9.297  -8.045
  484    HA   LEU  89           HA       LEU  89  -5.049   8.916  -5.257
  485    HB2  LEU  89           HB2      LEU  89  -2.405   9.424  -6.683
  486    HB3  LEU  89           HB3      LEU  89  -2.540   8.998  -4.997
  487    HG   LEU  89           HG       LEU  89  -3.481   7.198  -7.271
  488   HD11  LEU  89          HD11      LEU  89  -1.526   5.828  -6.734
  489   HD12  LEU  89          HD12      LEU  89  -1.026   6.988  -5.478
  490   HD13  LEU  89          HD13      LEU  89  -1.004   7.455  -7.183
  491   HD21  LEU  89          HD21      LEU  89  -4.736   6.722  -5.223
  492   HD22  LEU  89          HD22      LEU  89  -3.239   6.753  -4.259
  493   HD23  LEU  89          HD23      LEU  89  -3.509   5.472  -5.446
  494    H    LEU  90           H        LEU  90  -5.307  10.331  -3.690
  495    HA   LEU  90           HA       LEU  90  -5.244  13.136  -3.915
  496    HB2  LEU  90           HB2      LEU  90  -5.060  11.253  -1.548
  497    HB3  LEU  90           HB3      LEU  90  -5.093  12.998  -1.327
  498    HG   LEU  90           HG       LEU  90  -7.275  11.537  -2.872
  499   HD11  LEU  90          HD11      LEU  90  -8.621  11.746  -0.790
  500   HD12  LEU  90          HD12      LEU  90  -7.165  12.286   0.079
  501   HD13  LEU  90          HD13      LEU  90  -7.252  10.647  -0.621
  502   HD21  LEU  90          HD21      LEU  90  -7.178  13.945  -3.311
  503   HD22  LEU  90          HD22      LEU  90  -7.168  14.278  -1.564
  504   HD23  LEU  90          HD23      LEU  90  -8.593  13.551  -2.333
  505    H    GLY  91           H        GLY  91  -2.533  11.017  -3.326
  506    HA2  GLY  91           HA2      GLY  91  -0.553  13.081  -3.713
  507    HA3  GLY  91           HA3      GLY  91  -0.721  12.580  -2.028
  508    H    LYS  92           H        LYS  92   1.673  12.159  -2.837
  509    HA   LYS  92           HA       LYS  92   2.213   9.741  -4.269
  510    HB2  LYS  92           HB2      LYS  92   3.695  11.923  -3.439
  511    HB3  LYS  92           HB3      LYS  92   4.238  10.736  -2.304
  512    HG2  LYS  92           HG2      LYS  92   5.738  10.542  -4.124
  513    HG3  LYS  92           HG3      LYS  92   4.573   9.243  -4.488
  514    HD2  LYS  92           HD2      LYS  92   3.275  10.997  -5.828
  515    HD3  LYS  92           HD3      LYS  92   4.653  12.080  -5.596
  516    HE2  LYS  92           HE2      LYS  92   6.107  10.652  -6.849
  517    HE3  LYS  92           HE3      LYS  92   4.918   9.328  -6.834
  518    HZ1  LYS  92           HZ1      LYS  92   4.477  11.930  -8.182
  519    HZ2  LYS  92           HZ2      LYS  92   3.453  10.638  -8.189
  520    HZ3  LYS  92           HZ3      LYS  92   4.878  10.530  -8.968
  521    H    MET  93           H        MET  93   3.297   7.843  -3.569
  522    HA   MET  93           HA       MET  93   1.798   6.380  -1.596
  523    HB2  MET  93           HB2      MET  93   2.585   5.514  -3.854
  524    HB3  MET  93           HB3      MET  93   4.215   5.468  -3.198
  525    HG2  MET  93           HG2      MET  93   3.074   3.975  -1.294
  526    HG3  MET  93           HG3      MET  93   1.788   3.818  -2.474
  527    HE1  MET  93           HE1      MET  93   5.387   2.829  -1.371
  528    HE2  MET  93           HE2      MET  93   5.845   3.790  -2.800
  529    HE3  MET  93           HE3      MET  93   6.066   2.028  -2.808
  530    H    TYR  94           H        TYR  94   2.714   7.930   0.234
  531    HA   TYR  94           HA       TYR  94   5.292   7.523   1.285
  532    HB2  TYR  94           HB2      TYR  94   3.941   9.334   2.030
  533    HB3  TYR  94           HB3      TYR  94   2.658   8.265   2.564
  534    HD1  TYR  94           HD1      TYR  94   6.370   8.701   3.218
  535    HD2  TYR  94           HD2      TYR  94   2.451   7.932   4.851
  536    HE1  TYR  94           HE1      TYR  94   7.326   8.664   5.519
  537    HE2  TYR  94           HE2      TYR  94   3.408   7.854   7.120
  538    HH   TYR  94           HH       TYR  94   6.887   8.401   7.750
  539    H    LYS  95           H        LYS  95   2.398   5.497   1.918
  540    HA   LYS  95           HA       LYS  95   4.127   3.337   3.039
  541    HB2  LYS  95           HB2      LYS  95   1.798   4.709   4.432
  542    HB3  LYS  95           HB3      LYS  95   2.244   3.062   4.818
  543    HG2  LYS  95           HG2      LYS  95   4.154   5.390   5.175
  544    HG3  LYS  95           HG3      LYS  95   3.027   4.816   6.407
  545    HD2  LYS  95           HD2      LYS  95   4.095   2.496   6.124
  546    HD3  LYS  95           HD3      LYS  95   5.369   3.299   5.217
  547    HE2  LYS  95           HE2      LYS  95   4.574   3.684   8.144
  548    HE3  LYS  95           HE3      LYS  95   6.072   3.003   7.516
  549    HZ1  LYS  95           HZ1      LYS  95   6.420   5.320   6.520
  550    HZ2  LYS  95           HZ2      LYS  95   5.257   5.810   7.617
  551    HZ3  LYS  95           HZ3      LYS  95   6.635   5.144   8.149
  552    H    THR  96           H        THR  96   3.298   1.281   2.794
  553    HA   THR  96           HA       THR  96   0.406   0.917   2.199
  554    HB   THR  96           HB       THR  96   2.484  -0.817   0.817
  555    HG1  THR  96           HG1      THR  96   2.447   1.346   0.222
  556   HG21  THR  96          HG21      THR  96   0.568  -1.366  -0.701
  557   HG22  THR  96          HG22      THR  96  -0.508  -0.448   0.367
  558   HG23  THR  96          HG23      THR  96   0.288  -1.919   0.947
  559    H    TYR  97           H        TYR  97  -0.424  -0.960   3.015
  560    HA   TYR  97           HA       TYR  97   1.326  -2.767   4.641
  561    HB2  TYR  97           HB2      TYR  97  -1.373  -1.704   5.581
  562    HB3  TYR  97           HB3      TYR  97  -0.341  -2.818   6.385
  563    HD1  TYR  97           HD1      TYR  97  -0.655   0.733   5.353
  564    HD2  TYR  97           HD2      TYR  97   1.624  -2.142   7.620
  565    HE1  TYR  97           HE1      TYR  97   0.496   2.578   6.575
  566    HE2  TYR  97           HE2      TYR  97   2.718  -0.301   8.870
  567    HH   TYR  97           HH       TYR  97   2.740   1.979   9.291
  568    H    PHE  98           H        PHE  98   0.708  -4.917   4.671
  569    HA   PHE  98           HA       PHE  98  -1.297  -5.820   2.627
  570    HB2  PHE  98           HB2      PHE  98   1.643  -6.351   2.998
  571    HB3  PHE  98           HB3      PHE  98   0.644  -7.485   2.119
  572    HD1  PHE  98           HD1      PHE  98   2.093  -4.054   2.075
  573    HD2  PHE  98           HD2      PHE  98   0.011  -7.116  -0.125
  574    HE1  PHE  98           HE1      PHE  98   2.662  -2.918  -0.071
  575    HE2  PHE  98           HE2      PHE  98   0.642  -6.008  -2.266
  576    HZ   PHE  98           HZ       PHE  98   1.993  -3.938  -2.229
  577    H    PHE  99           H        PHE  99  -2.183  -7.828   2.884
  578    HA   PHE  99           HA       PHE  99  -1.905  -9.092   5.602
  579    HB2  PHE  99           HB2      PHE  99  -4.396  -8.472   3.949
  580    HB3  PHE  99           HB3      PHE  99  -4.384  -9.164   5.551
  581    HD1  PHE  99           HD1      PHE  99  -3.712  -6.041   3.596
  582    HD2  PHE  99           HD2      PHE  99  -4.319  -7.723   7.522
  583    HE1  PHE  99           HE1      PHE  99  -3.824  -3.807   4.515
  584    HE2  PHE  99           HE2      PHE  99  -4.487  -5.415   8.435
  585    HZ   PHE  99           HZ       PHE  99  -4.113  -3.461   6.961
  586    H    LYS 100           H        LYS 100  -1.823 -11.288   5.652
  587    HA   LYS 100           HA       LYS 100  -1.863 -12.892   3.229
  588    HB2  LYS 100           HB2      LYS 100  -1.771 -13.688   6.133
  589    HB3  LYS 100           HB3      LYS 100  -1.607 -14.813   4.779
  590    HG2  LYS 100           HG2      LYS 100   0.486 -14.222   4.257
  591    HG3  LYS 100           HG3      LYS 100   0.312 -12.531   4.693
  592    HD2  LYS 100           HD2      LYS 100   0.324 -13.157   7.096
  593    HD3  LYS 100           HD3      LYS 100   0.502 -14.866   6.653
  594    HE2  LYS 100           HE2      LYS 100   2.684 -14.273   5.518
  595    HE3  LYS 100           HE3      LYS 100   2.487 -12.617   6.124
  596    HZ1  LYS 100           HZ1      LYS 100   2.802 -15.083   7.757
  597    HZ2  LYS 100           HZ2      LYS 100   2.399 -13.617   8.391
  598    HZ3  LYS 100           HZ3      LYS 100   3.852 -13.846   7.655
  599    H    LYS 101           H        LYS 101  -3.177 -14.856   3.069
  600    HA   LYS 101           HA       LYS 101  -5.969 -14.473   2.891
  601    HB2  LYS 101           HB2      LYS 101  -6.014 -16.895   2.326
  602    HB3  LYS 101           HB3      LYS 101  -4.794 -15.999   1.442
  603    HG2  LYS 101           HG2      LYS 101  -3.007 -16.975   2.558
  604    HG3  LYS 101           HG3      LYS 101  -3.933 -17.349   4.007
  605    HD2  LYS 101           HD2      LYS 101  -4.516 -18.749   1.375
  606    HD3  LYS 101           HD3      LYS 101  -3.212 -19.291   2.447
  607    HE2  LYS 101           HE2      LYS 101  -4.744 -19.598   4.309
  608    HE3  LYS 101           HE3      LYS 101  -6.092 -18.933   3.377
  609    HZ1  LYS 101           HZ1      LYS 101  -6.065 -21.390   3.400
  610    HZ2  LYS 101           HZ2      LYS 101  -4.612 -21.404   2.616
  611    HZ3  LYS 101           HZ3      LYS 101  -5.923 -20.799   1.870
  612    H    GLY 102           H        GLY 102  -5.706 -13.746   5.427
  613    HA2  GLY 102           HA2      GLY 102  -7.753 -14.909   6.877
  614    HA3  GLY 102           HA3      GLY 102  -6.345 -15.869   7.334
  615    H    GLU 103           H        GLU 103  -6.607 -12.286   6.758
  616    HA   GLU 103           HA       GLU 103  -5.726 -11.842   9.577
  617    HB2  GLU 103           HB2      GLU 103  -4.308 -10.798   7.096
  618    HB3  GLU 103           HB3      GLU 103  -3.991 -10.265   8.748
  619    HG2  GLU 103           HG2      GLU 103  -3.538 -12.750   9.280
  620    HG3  GLU 103           HG3      GLU 103  -3.448 -12.981   7.532
  621    H    SER 104           H        SER 104  -5.776  -9.767  10.354
  622    HA   SER 104           HA       SER 104  -7.468  -7.697   9.037
  623    HB2  SER 104           HB2      SER 104  -8.572  -7.360  11.255
  624    HB3  SER 104           HB3      SER 104  -9.030  -8.814  10.378
  625    HG   SER 104           HG       SER 104  -7.731 -10.024  11.809
  626    H    LYS 105           H        LYS 105  -4.560  -8.378  10.638
  627    HA   LYS 105           HA       LYS 105  -3.912  -5.476  10.581
  628    HB2  LYS 105           HB2      LYS 105  -4.284  -6.067  12.931
  629    HB3  LYS 105           HB3      LYS 105  -3.138  -7.415  12.792
  630    HG2  LYS 105           HG2      LYS 105  -1.323  -5.946  12.496
  631    HG3  LYS 105           HG3      LYS 105  -2.312  -4.525  12.297
  632    HD2  LYS 105           HD2      LYS 105  -1.443  -4.434  14.538
  633    HD3  LYS 105           HD3      LYS 105  -3.143  -4.852  14.700
  634    HE2  LYS 105           HE2      LYS 105  -2.601  -7.198  15.012
  635    HE3  LYS 105           HE3      LYS 105  -0.885  -6.873  14.681
  636    HZ1  LYS 105           HZ1      LYS 105  -1.311  -6.990  17.061
  637    HZ2  LYS 105           HZ2      LYS 105  -2.400  -5.741  16.974
  638    HZ3  LYS 105           HZ3      LYS 105  -0.803  -5.490  16.644
  639    H    SER 106           H        SER 106  -2.132  -5.120   9.410
  640    HA   SER 106           HA       SER 106  -1.434  -7.103   7.566
  641    HB2  SER 106           HB2      SER 106   0.012  -5.490   6.580
  642    HB3  SER 106           HB3      SER 106  -1.345  -4.614   7.288
  643    HG   SER 106           HG       SER 106   1.358  -4.739   8.028
  644    H    SER 107           H        SER 107   0.484  -8.085   6.920
  645    HA   SER 107           HA       SER 107   2.567  -8.587   9.028
  646    HB2  SER 107           HB2      SER 107   1.037 -10.550   8.476
  647    HB3  SER 107           HB3      SER 107   1.610 -10.455   6.808
  648    HG   SER 107           HG       SER 107   3.028 -11.133   9.153
  649    H    TYR 108           H        TYR 108   2.044  -7.390   5.878
  650    HA   TYR 108           HA       TYR 108   4.971  -7.033   5.597
  651    HB2  TYR 108           HB2      TYR 108   4.132  -8.826   4.028
  652    HB3  TYR 108           HB3      TYR 108   3.246  -7.618   3.164
  653    HD1  TYR 108           HD1      TYR 108   6.503  -8.846   4.158
  654    HD2  TYR 108           HD2      TYR 108   4.480  -6.153   1.506
  655    HE1  TYR 108           HE1      TYR 108   8.588  -8.643   2.782
  656    HE2  TYR 108           HE2      TYR 108   6.579  -5.972   0.121
  657    HH   TYR 108           HH       TYR 108   8.859  -6.654  -0.115
  658    H    VAL 109           H        VAL 109   5.545  -5.115   4.686
  659    HA   VAL 109           HA       VAL 109   3.583  -2.971   4.185
  660    HB   VAL 109           HB       VAL 109   3.507  -2.746   6.363
  661   HG11  VAL 109          HG11      VAL 109   4.758  -4.366   7.384
  662   HG12  VAL 109          HG12      VAL 109   5.531  -2.898   7.992
  663   HG13  VAL 109          HG13      VAL 109   6.249  -3.796   6.630
  664   HG21  VAL 109          HG21      VAL 109   5.871  -0.964   6.018
  665   HG22  VAL 109          HG22      VAL 109   4.687  -0.923   7.330
  666   HG23  VAL 109          HG23      VAL 109   4.168  -0.571   5.682
  667    H    ILE 110           H        ILE 110   4.462  -1.110   3.295
  668    HA   ILE 110           HA       ILE 110   7.264  -1.378   2.290
  669    HB   ILE 110           HB       ILE 110   4.829  -0.937   0.590
  670   HG12  ILE 110          HG12      ILE 110   6.198  -3.522   1.300
  671   HG13  ILE 110          HG13      ILE 110   4.497  -3.150   1.239
  672   HG21  ILE 110          HG21      ILE 110   6.949   0.024  -0.312
  673   HG22  ILE 110          HG22      ILE 110   6.343  -1.274  -1.325
  674   HG23  ILE 110          HG23      ILE 110   7.706  -1.572  -0.238
  675   HD11  ILE 110          HD11      ILE 110   4.924  -4.650  -0.515
  676   HD12  ILE 110          HD12      ILE 110   6.375  -3.781  -1.028
  677   HD13  ILE 110          HD13      ILE 110   4.757  -3.073  -1.317
  678    H    ASN 111           H        ASN 111   8.307   0.434   2.398
  679    HA   ASN 111           HA       ASN 111   6.944   2.992   2.989
  680    HB2  ASN 111           HB2      ASN 111   9.915   2.315   2.702
  681    HB3  ASN 111           HB3      ASN 111   9.229   3.756   3.453
  682   HD21  ASN 111          HD21      ASN 111   7.673   3.226   5.363
  683   HD22  ASN 111          HD22      ASN 111   8.157   1.866   6.402
  684    H    GLY 112           H        GLY 112   7.155   4.895   1.630
  685    HA2  GLY 112           HA2      GLY 112   8.716   4.742  -0.849
  686    HA3  GLY 112           HA3      GLY 112   6.967   4.722  -1.083
  687    HA   PRO 113           HA       PRO 113   8.606   9.091  -0.854
  688    HB2  PRO 113           HB2      PRO 113   7.811  10.019  -3.267
  689    HB3  PRO 113           HB3      PRO 113   9.261   8.986  -3.098
  690    HG2  PRO 113           HG2      PRO 113   6.459   8.117  -3.883
  691    HG3  PRO 113           HG3      PRO 113   7.993   7.749  -4.711
  692    HD2  PRO 113           HD2      PRO 113   6.786   6.059  -2.906
  693    HD3  PRO 113           HD3      PRO 113   8.561   6.140  -3.069
  694    H    GLY 114           H        GLY 114   7.507  10.692  -0.144
  695    HA2  GLY 114           HA2      GLY 114   5.237  11.982  -0.578
  696    HA3  GLY 114           HA3      GLY 114   4.554  10.582   0.254
  697    H    LYS 115           H        LYS 115   7.158  10.570   1.928
  698    HA   LYS 115           HA       LYS 115   7.903  11.175   3.946
  699    HB2  LYS 115           HB2      LYS 115   7.254  13.900   2.811
  700    HB3  LYS 115           HB3      LYS 115   8.180  13.656   4.295
  701    HG2  LYS 115           HG2      LYS 115   9.905  12.418   3.036
  702    HG3  LYS 115           HG3      LYS 115   8.967  12.615   1.537
  703    HD2  LYS 115           HD2      LYS 115   9.097  15.080   1.766
  704    HD3  LYS 115           HD3      LYS 115  10.009  14.890   3.274
  705    HE2  LYS 115           HE2      LYS 115  11.756  13.613   1.925
  706    HE3  LYS 115           HE3      LYS 115  10.884  14.102   0.460
  707    HZ1  LYS 115           HZ1      LYS 115  11.215  16.437   1.174
  708    HZ2  LYS 115           HZ2      LYS 115  12.659  15.657   0.997
  709    HZ3  LYS 115           HZ3      LYS 115  12.059  15.906   2.498
  710    H    THR 116           H        THR 116   4.605  12.589   3.568
  711    HA   THR 116           HA       THR 116   3.998  11.832   6.319
  712    HB   THR 116           HB       THR 116   5.037  13.977   6.796
  713    HG1  THR 116           HG1      THR 116   3.304  14.975   7.740
  714   HG21  THR 116          HG21      THR 116   3.077  15.257   4.844
  715   HG22  THR 116          HG22      THR 116   4.826  15.097   4.572
  716   HG23  THR 116          HG23      THR 116   4.227  16.100   5.902
  717    H    ASN 117           H        ASN 117   1.765  11.690   6.641
  718    HA   ASN 117           HA       ASN 117   0.090  11.769   4.236
  719    HB2  ASN 117           HB2      ASN 117  -0.534  11.177   7.157
  720    HB3  ASN 117           HB3      ASN 117  -1.626  10.936   5.791
  721   HD21  ASN 117          HD21      ASN 117  -0.465   9.601   3.933
  722   HD22  ASN 117          HD22      ASN 117   0.400   8.178   4.524
  723    H    GLU 118           H        GLU 118   0.977  14.046   6.644
  724    HA   GLU 118           HA       GLU 118  -1.595  15.303   7.026
  725    HB2  GLU 118           HB2      GLU 118   1.171  16.087   7.944
  726    HB3  GLU 118           HB3      GLU 118  -0.343  16.691   8.623
  727    HG2  GLU 118           HG2      GLU 118  -0.919  14.522   9.508
  728    HG3  GLU 118           HG3      GLU 118   0.426  13.741   8.684
  729    H    TYR 119           H        TYR 119  -1.136  15.593   4.334
  730    HA   TYR 119           HA       TYR 119  -1.307  16.985   2.685
  731    HB2  TYR 119           HB2      TYR 119  -2.743  18.196   4.590
  732    HB3  TYR 119           HB3      TYR 119  -1.646  19.507   4.180
  733    HD1  TYR 119           HD1      TYR 119  -1.265  19.825   1.522
  734    HD2  TYR 119           HD2      TYR 119  -4.693  17.917   3.329
  735    HE1  TYR 119           HE1      TYR 119  -2.485  19.995  -0.620
  736    HE2  TYR 119           HE2      TYR 119  -5.941  18.153   1.199
  737    HH   TYR 119           HH       TYR 119  -4.363  19.421  -1.764
  738    H    ALA 120           H        ALA 120   0.515  16.851   1.587
  739    HA   ALA 120           HA       ALA 120   2.520  18.992   1.953
  740    HB1  ALA 120           HB1      ALA 120   3.224  17.018   3.270
  741    HB2  ALA 120           HB2      ALA 120   4.326  17.292   1.919
  742    HB3  ALA 120           HB3      ALA 120   3.109  16.000   1.810
  743    H    TYR 121           H        TYR 121   0.466  18.154  -0.142
  744    HA   TYR 121           HA       TYR 121   2.105  18.966  -2.439
  745    HB2  TYR 121           HB2      TYR 121   2.379  16.532  -2.399
  746    HB3  TYR 121           HB3      TYR 121   0.652  16.295  -2.431
  747    HD1  TYR 121           HD1      TYR 121   3.106  18.372  -4.438
  748    HD2  TYR 121           HD2      TYR 121   0.025  15.355  -4.470
  749    HE1  TYR 121           HE1      TYR 121   3.327  18.165  -6.913
  750    HE2  TYR 121           HE2      TYR 121   0.246  15.151  -6.945
  751    HH   TYR 121           HH       TYR 121   1.301  15.910  -8.821
  752    H1   ACE   6           H1       ACE   6   9.914   4.520 -10.087
  753    H2   ACE   6           H2       ACE   6  11.344   4.031 -11.009
  754    H3   ACE   6           H3       ACE   6   9.784   3.235 -11.320
  755    H    THR   7           H        THR   7  12.094   1.793 -10.713
  756    HA   THR   7           HA       THR   7  11.182   0.270  -8.418
  757    HB   THR   7           HB       THR   7  11.951  -0.697 -10.544
  758    HG1  THR   7           HG1      THR   7  11.775  -2.053  -8.983
  759   HG21  THR   7          HG21      THR   7  14.253  -1.115 -11.028
  760   HG22  THR   7          HG22      THR   7  14.798  -0.219  -9.604
  761   HG23  THR   7          HG23      THR   7  14.010   0.637 -10.948
  762    H    THR   8           H        THR   8  11.966   2.834  -7.577
  763    HA   THR   8           HA       THR   8  14.658   2.833  -6.488
  764    HB   THR   8           HB       THR   8  12.368   4.819  -6.345
  765    HG1  THR   8           HG1      THR   8  13.559   5.856  -7.817
  766   HG21  THR   8          HG21      THR   8  15.209   5.054  -5.284
  767   HG22  THR   8          HG22      THR   8  13.694   5.243  -4.367
  768   HG23  THR   8          HG23      THR   8  14.130   6.439  -5.593
  769    HA   PRO   9           HA       PRO   9  12.567   2.669  -2.144
  770    HB2  PRO   9           HB2      PRO   9  10.101   1.069  -2.798
  771    HB3  PRO   9           HB3      PRO   9  10.342   2.314  -1.530
  772    HG2  PRO   9           HG2      PRO   9   9.012   3.006  -3.753
  773    HG3  PRO   9           HG3      PRO   9  10.294   4.081  -3.134
  774    HD2  PRO   9           HD2      PRO   9  10.558   1.992  -5.331
  775    HD3  PRO   9           HD3      PRO   9  10.996   3.719  -5.362
  776    H    ASP  10           H        ASP  10  12.428   0.735  -0.580
  777    HA   ASP  10           HA       ASP  10  14.225  -1.272  -1.650
  778    HB2  ASP  10           HB2      ASP  10  13.542  -0.107   1.000
  779    HB3  ASP  10           HB3      ASP  10  13.915  -1.797   1.109
  780    H2   TYS  11           H2       TYS  11  11.528  -1.539  -2.348
  781    HA   TYS  11           HA       TYS  11   9.895  -3.135  -2.706
  782    HB2  TYS  11           HB2      TYS  11  12.531  -4.351  -3.317
  783    HB3  TYS  11           HB3      TYS  11  11.142  -5.438  -3.311
  784    HD1  TYS  11           HD1      TYS  11  12.270  -2.114  -4.632
  785    HD2  TYS  11           HD2      TYS  11   9.311  -5.207  -4.801
  786    HE1  TYS  11           HE1      TYS  11  10.949  -0.808  -6.202
  787    HE2  TYS  11           HE2      TYS  11   8.193  -4.080  -6.579
  788    H    GLY  12           H        GLY  12   9.873  -2.506  -0.470
  789    HA2  GLY  12           HA2      GLY  12   8.378  -2.946   1.238
  790    HA3  GLY  12           HA3      GLY  12   8.040  -4.471   0.444
  791    H    HIS  13           H        HIS  13   7.907  -4.434   3.256
  792    HA   HIS  13           HA       HIS  13   9.969  -6.442   3.829
  793    HB2  HIS  13           HB2      HIS  13  10.566  -5.424   5.970
  794    HB3  HIS  13           HB3      HIS  13  11.133  -4.460   4.605
  795    HD1  HIS  13           HD1      HIS  13   9.664  -2.153   4.043
  796    HD2  HIS  13           HD2      HIS  13   8.601  -4.265   7.546
  797    HE1  HIS  13           HE1      HIS  13   7.930  -0.730   5.285
  798    HE2  HIS  13           HE2      HIS  13   7.666  -1.819   7.613
  799    H2   TYS  14           H2       TYS  14   9.527  -7.788   5.535
  800    HA   TYS  14           HA       TYS  14   6.751  -7.879   6.555
  801    HB2  TYS  14           HB2      TYS  14   9.218  -9.614   7.065
  802    HB3  TYS  14           HB3      TYS  14   7.707  -9.843   7.899
  803    HD1  TYS  14           HD1      TYS  14   9.281  -9.991   4.451
  804    HD2  TYS  14           HD2      TYS  14   5.755 -10.848   6.806
  805    HE1  TYS  14           HE1      TYS  14   8.524 -11.497   2.760
  806    HE2  TYS  14           HE2      TYS  14   5.009 -12.395   5.091
  807    H    ASP  15           H        ASP  15   6.045  -7.268   8.506
  808    HA   ASP  15           HA       ASP  15   8.026  -6.523  10.572
  809    HB2  ASP  15           HB2      ASP  15   7.289  -4.469   9.118
  810    HB3  ASP  15           HB3      ASP  15   5.805  -4.553   9.992
  811    H    ASP  16           H        ASP  16   6.705  -5.836  12.618
  812    HA   ASP  16           HA       ASP  16   4.380  -7.630  13.132
  813    HB2  ASP  16           HB2      ASP  16   6.882  -7.499  14.863
  814    HB3  ASP  16           HB3      ASP  16   5.435  -8.447  15.201
  815    H    LYS  17           H        LYS  17   5.648  -4.533  13.397
  816    HA   LYS  17           HA       LYS  17   3.606  -3.800  15.425
  817    HB2  LYS  17           HB2      LYS  17   5.072  -2.539  16.774
  818    HB3  LYS  17           HB3      LYS  17   5.691  -4.177  16.681
  819    HG2  LYS  17           HG2      LYS  17   7.035  -2.684  14.622
  820    HG3  LYS  17           HG3      LYS  17   6.955  -1.634  16.023
  821    HD2  LYS  17           HD2      LYS  17   8.996  -2.789  16.251
  822    HD3  LYS  17           HD3      LYS  17   7.910  -3.580  17.390
  823    HE2  LYS  17           HE2      LYS  17   9.103  -5.318  16.277
  824    HE3  LYS  17           HE3      LYS  17   7.469  -5.348  15.613
  825    HZ1  LYS  17           HZ1      LYS  17   9.818  -4.043  14.337
  826    HZ2  LYS  17           HZ2      LYS  17   8.313  -4.112  13.674
  827    HZ3  LYS  17           HZ3      LYS  17   9.176  -5.490  13.863
  828    H    ASP  18           H        ASP  18   5.790  -2.728  12.853
  829    HA   ASP  18           HA       ASP  18   4.177  -0.283  12.416
  830    HB2  ASP  18           HB2      ASP  18   6.594  -1.514  11.103
  831    HB3  ASP  18           HB3      ASP  18   5.566  -0.424  10.186
  832    H    THR  19           H        THR  19   2.155  -1.317  12.406
  833    HA   THR  19           HA       THR  19   1.447  -2.561   9.806
  834    HB   THR  19           HB       THR  19   1.615  -4.537  11.159
  835    HG1  THR  19           HG1      THR  19  -0.015  -4.623   9.973
  836   HG21  THR  19          HG21      THR  19  -0.004  -3.205  13.307
  837   HG22  THR  19          HG22      THR  19   1.733  -3.585  13.396
  838   HG23  THR  19          HG23      THR  19   0.588  -4.902  13.240
  839    H    LEU  20           H        LEU  20  -0.811  -2.488   9.268
  840    HA   LEU  20           HA       LEU  20  -2.337  -0.255  10.492
  841    HB2  LEU  20           HB2      LEU  20  -1.458   0.063   8.163
  842    HB3  LEU  20           HB3      LEU  20  -2.348  -1.383   7.669
  843    HG   LEU  20           HG       LEU  20  -3.379   0.530   6.874
  844   HD11  LEU  20          HD11      LEU  20  -5.142  -0.244   9.178
  845   HD12  LEU  20          HD12      LEU  20  -4.767  -1.291   7.787
  846   HD13  LEU  20          HD13      LEU  20  -5.585   0.257   7.521
  847   HD21  LEU  20          HD21      LEU  20  -3.663   1.630   9.696
  848   HD22  LEU  20          HD22      LEU  20  -4.209   2.392   8.183
  849   HD23  LEU  20          HD23      LEU  20  -2.477   2.177   8.494
  850    H    ASP  21           H        ASP  21  -3.683  -1.204  11.822
  851    HA   ASP  21           HA       ASP  21  -4.977  -3.791  11.315
  852    HB2  ASP  21           HB2      ASP  21  -6.173  -3.180  13.475
  853    HB3  ASP  21           HB3      ASP  21  -4.494  -3.613  13.541
  854    H    LEU  22           H        LEU  22  -6.812  -4.080  10.582
  855    HA   LEU  22           HA       LEU  22  -8.214  -1.861   9.291
  856    HB2  LEU  22           HB2      LEU  22  -7.466  -4.571   8.744
  857    HB3  LEU  22           HB3      LEU  22  -9.220  -4.515   8.635
  858    HG   LEU  22           HG       LEU  22  -9.092  -2.851   6.853
  859   HD11  LEU  22          HD11      LEU  22  -6.700  -2.366   5.968
  860   HD12  LEU  22          HD12      LEU  22  -6.146  -2.931   7.566
  861   HD13  LEU  22          HD13      LEU  22  -7.196  -1.496   7.427
  862   HD21  LEU  22          HD21      LEU  22  -8.712  -5.295   6.381
  863   HD22  LEU  22          HD22      LEU  22  -6.949  -5.002   6.502
  864   HD23  LEU  22          HD23      LEU  22  -7.895  -4.226   5.214
  865    H    ASN  23           H        ASN  23  -8.911  -3.199  12.267
  866    HA   ASN  23           HA       ASN  23 -11.835  -2.736  12.001
  867    HB2  ASN  23           HB2      ASN  23 -10.709  -5.471  12.818
  868    HB3  ASN  23           HB3      ASN  23 -12.395  -5.006  12.800
  869   HD21  ASN  23          HD21      ASN  23  -9.656  -5.990  10.927
  870   HD22  ASN  23          HD22      ASN  23 -10.569  -6.373   9.467
  871    H    THR  24           H        THR  24 -10.025  -4.642  14.345
  872    HA   THR  24           HA       THR  24 -10.300  -2.747  16.572
  873    HB   THR  24           HB       THR  24 -12.534  -3.805  16.021
  874    HG1  THR  24           HG1      THR  24 -13.040  -4.185  18.137
  875   HG21  THR  24          HG21      THR  24 -12.995  -6.073  16.592
  876   HG22  THR  24          HG22      THR  24 -11.362  -6.327  17.245
  877   HG23  THR  24          HG23      THR  24 -11.595  -6.097  15.501
  878    HA   PRO  25           HA       PRO  25  -8.514  -7.230  17.094
  879    HB2  PRO  25           HB2      PRO  25  -5.868  -7.498  16.218
  880    HB3  PRO  25           HB3      PRO  25  -7.336  -7.900  15.279
  881    HG2  PRO  25           HG2      PRO  25  -5.743  -5.321  15.240
  882    HG3  PRO  25           HG3      PRO  25  -6.366  -6.288  13.851
  883    HD2  PRO  25           HD2      PRO  25  -7.739  -4.144  14.672
  884    HD3  PRO  25           HD3      PRO  25  -8.570  -5.682  14.271
  885    H    VAL  26           H        VAL  26  -7.457  -8.194  18.755
  886    HA   VAL  26           HA       VAL  26  -5.641  -6.697  20.522
  887    HB   VAL  26           HB       VAL  26  -7.967  -5.731  20.767
  888   HG11  VAL  26          HG11      VAL  26  -9.674  -6.914  21.991
  889   HG12  VAL  26          HG12      VAL  26  -8.677  -8.372  22.108
  890   HG13  VAL  26          HG13      VAL  26  -9.283  -7.822  20.530
  891   HG21  VAL  26          HG21      VAL  26  -6.280  -5.512  22.546
  892   HG22  VAL  26          HG22      VAL  26  -6.949  -6.956  23.343
  893   HG23  VAL  26          HG23      VAL  26  -7.952  -5.533  23.130
  894    H    ASP  27           H        ASP  27  -5.257  -7.954  22.604
  895    HA   ASP  27           HA       ASP  27  -5.603 -10.896  22.242
  896    HB2  ASP  27           HB2      ASP  27  -3.176  -9.304  23.129
  897    HB3  ASP  27           HB3      ASP  27  -3.348 -11.029  23.428
  898    H    LYS  28           H        LYS  28  -7.141  -8.801  23.781
  899    HA   LYS  28           HA       LYS  28  -7.690 -10.440  26.157
  900    HB2  LYS  28           HB2      LYS  28  -5.959  -8.855  26.928
  901    HB3  LYS  28           HB3      LYS  28  -6.935  -7.490  26.375
  902    HG2  LYS  28           HG2      LYS  28  -8.697  -8.092  28.032
  903    HG3  LYS  28           HG3      LYS  28  -7.762  -9.515  28.506
  904    HD2  LYS  28           HD2      LYS  28  -7.418  -7.818  30.170
  905    HD3  LYS  28           HD3      LYS  28  -5.907  -8.002  29.269
  906    HE2  LYS  28           HE2      LYS  28  -6.501  -5.992  27.906
  907    HE3  LYS  28           HE3      LYS  28  -7.995  -5.818  28.841
  908    HZ1  LYS  28           HZ1      LYS  28  -6.643  -5.494  30.830
  909    HZ2  LYS  28           HZ2      LYS  28  -6.306  -4.376  29.714
  910    HZ3  LYS  28           HZ3      LYS  28  -5.240  -5.615  29.964
  911    HN1  NH2  29           HN1      NH2  29  -9.862 -10.807  25.849
  912    HN2  NH2  29           HN2      NH2  29 -11.003  -9.547  25.466
  Start of MODEL   25
    1    H1   ASN  31           H1       ASN  31  13.076   5.793  -5.517
    2    H2   ASN  31           H2       ASN  31  13.880   4.447  -6.052
    3    H3   ASN  31           H3       ASN  31  14.534   5.416  -4.898
    4    HA   ASN  31           HA       ASN  31  13.735   3.420  -3.909
    5    HB2  ASN  31           HB2      ASN  31  12.120   5.886  -3.144
    6    HB3  ASN  31           HB3      ASN  31  12.076   4.360  -2.265
    7   HD21  ASN  31          HD21      ASN  31  12.935   5.635  -0.362
    8   HD22  ASN  31          HD22      ASN  31  14.673   5.889  -0.306
    9    H    SER  32           H        SER  32  10.611   5.099  -4.719
   10    HA   SER  32           HA       SER  32   9.604   2.524  -5.814
   11    HB2  SER  32           HB2      SER  32   8.325   3.938  -3.449
   12    HB3  SER  32           HB3      SER  32   7.796   2.428  -4.211
   13    HG   SER  32           HG       SER  32   9.802   1.482  -3.511
   14    H    GLY  33           H        GLY  33   9.955   5.408  -6.848
   15    HA2  GLY  33           HA2      GLY  33   8.979   6.467  -8.613
   16    HA3  GLY  33           HA3      GLY  33   7.694   5.278  -8.607
   17    H    LEU  34           H        LEU  34   7.126   7.757  -9.372
   18    HA   LEU  34           HA       LEU  34   5.431   8.906  -7.191
   19    HB2  LEU  34           HB2      LEU  34   7.274  10.318  -9.118
   20    HB3  LEU  34           HB3      LEU  34   5.930  11.162  -8.359
   21    HG   LEU  34           HG       LEU  34   8.102   9.783  -6.740
   22   HD11  LEU  34          HD11      LEU  34   9.043  12.040  -6.420
   23   HD12  LEU  34          HD12      LEU  34   7.836  12.715  -7.537
   24   HD13  LEU  34          HD13      LEU  34   9.073  11.587  -8.129
   25   HD21  LEU  34          HD21      LEU  34   7.276  11.295  -4.955
   26   HD22  LEU  34          HD22      LEU  34   6.009  10.189  -5.504
   27   HD23  LEU  34          HD23      LEU  34   6.007  11.884  -6.049
   28    HA   PRO  35           HA       PRO  35   2.636   8.130 -10.792
   29    HB2  PRO  35           HB2      PRO  35   0.760   6.657  -9.513
   30    HB3  PRO  35           HB3      PRO  35   2.348   5.958  -9.930
   31    HG2  PRO  35           HG2      PRO  35   1.424   7.035  -7.255
   32    HG3  PRO  35           HG3      PRO  35   2.355   5.545  -7.603
   33    HD2  PRO  35           HD2      PRO  35   3.448   8.014  -6.833
   34    HD3  PRO  35           HD3      PRO  35   4.356   6.721  -7.647
   35    H    THR  36           H        THR  36   0.287   8.767 -11.022
   36    HA   THR  36           HA       THR  36  -0.904  10.284  -8.759
   37    HB   THR  36           HB       THR  36   0.166  11.929 -10.203
   38    HG1  THR  36           HG1      THR  36  -2.646  11.951 -10.213
   39   HG21  THR  36          HG21      THR  36  -0.820  12.521 -12.382
   40   HG22  THR  36          HG22      THR  36  -1.873  11.093 -12.318
   41   HG23  THR  36          HG23      THR  36  -0.109  10.902 -12.435
   42    H    THR  37           H        THR  37  -1.327   7.763 -10.861
   43    HA   THR  37           HA       THR  37  -4.228   7.717 -10.244
   44    HB   THR  37           HB       THR  37  -4.567   6.465 -12.392
   45    HG1  THR  37           HG1      THR  37  -3.028   6.374 -13.870
   46   HG21  THR  37          HG21      THR  37  -5.182   8.859 -12.265
   47   HG22  THR  37          HG22      THR  37  -4.627   8.396 -13.883
   48   HG23  THR  37          HG23      THR  37  -3.547   9.304 -12.804
   49    H    LEU  38           H        LEU  38  -5.008   5.743  -9.568
   50    HA   LEU  38           HA       LEU  38  -3.111   3.814  -8.630
   51    HB2  LEU  38           HB2      LEU  38  -6.118   3.727  -8.902
   52    HB3  LEU  38           HB3      LEU  38  -5.210   2.341  -8.320
   53    HG   LEU  38           HG       LEU  38  -5.180   5.097  -7.021
   54   HD11  LEU  38          HD11      LEU  38  -6.474   2.498  -6.143
   55   HD12  LEU  38          HD12      LEU  38  -7.352   3.887  -6.792
   56   HD13  LEU  38          HD13      LEU  38  -6.499   4.031  -5.249
   57   HD21  LEU  38          HD21      LEU  38  -3.088   3.897  -6.536
   58   HD22  LEU  38          HD22      LEU  38  -3.978   2.414  -6.184
   59   HD23  LEU  38          HD23      LEU  38  -4.125   3.819  -5.108
   60    H    GLY  39           H        GLY  39  -4.767   3.867 -11.784
   61    HA2  GLY  39           HA2      GLY  39  -4.212   1.307 -12.680
   62    HA3  GLY  39           HA3      GLY  39  -4.038   2.745 -13.699
   63    H    LYS  40           H        LYS  40  -1.756   3.850 -12.229
   64    HA   LYS  40           HA       LYS  40   0.359   2.065 -13.312
   65    HB2  LYS  40           HB2      LYS  40   0.547   4.899 -12.216
   66    HB3  LYS  40           HB3      LYS  40   1.858   3.964 -12.957
   67    HG2  LYS  40           HG2      LYS  40   0.338   3.753 -15.036
   68    HG3  LYS  40           HG3      LYS  40  -0.676   4.991 -14.297
   69    HD2  LYS  40           HD2      LYS  40   1.279   6.540 -14.254
   70    HD3  LYS  40           HD3      LYS  40   2.271   5.333 -15.051
   71    HE2  LYS  40           HE2      LYS  40  -0.364   6.271 -16.256
   72    HE3  LYS  40           HE3      LYS  40   1.110   7.218 -16.476
   73    HZ1  LYS  40           HZ1      LYS  40   2.126   5.460 -17.648
   74    HZ2  LYS  40           HZ2      LYS  40   0.613   5.527 -18.282
   75    HZ3  LYS  40           HZ3      LYS  40   1.047   4.349 -17.194
   76    H    LEU  41           H        LEU  41  -0.579   3.504 -10.162
   77    HA   LEU  41           HA       LEU  41   1.634   2.356  -8.733
   78    HB2  LEU  41           HB2      LEU  41   0.432   4.313  -7.868
   79    HB3  LEU  41           HB3      LEU  41  -1.050   3.374  -7.726
   80    HG   LEU  41           HG       LEU  41  -0.031   1.932  -6.003
   81   HD11  LEU  41          HD11      LEU  41   2.099   2.451  -4.976
   82   HD12  LEU  41          HD12      LEU  41   2.396   3.769  -6.124
   83   HD13  LEU  41          HD13      LEU  41   2.375   2.071  -6.669
   84   HD21  LEU  41          HD21      LEU  41  -1.195   3.907  -5.226
   85   HD22  LEU  41          HD22      LEU  41   0.299   4.870  -5.356
   86   HD23  LEU  41          HD23      LEU  41   0.184   3.532  -4.183
   87    H    ASP  42           H        ASP  42  -1.780   1.196  -9.025
   88    HA   ASP  42           HA       ASP  42  -1.451  -0.980  -7.145
   89    HB2  ASP  42           HB2      ASP  42  -3.616   0.121  -7.938
   90    HB3  ASP  42           HB3      ASP  42  -3.435  -0.758  -9.451
   91    H    GLU  43           H        GLU  43  -1.144  -0.747 -10.675
   92    HA   GLU  43           HA       GLU  43  -0.530  -3.472 -11.229
   93    HB2  GLU  43           HB2      GLU  43  -1.121  -1.764 -12.895
   94    HB3  GLU  43           HB3      GLU  43   0.405  -0.921 -12.611
   95    HG2  GLU  43           HG2      GLU  43   1.653  -2.938 -13.385
   96    HG3  GLU  43           HG3      GLU  43   0.126  -3.775 -13.635
   97    H    ARG  44           H        ARG  44   1.585  -0.794 -10.108
   98    HA   ARG  44           HA       ARG  44   4.010  -2.412 -10.126
   99    HB2  ARG  44           HB2      ARG  44   3.211   0.301  -9.005
  100    HB3  ARG  44           HB3      ARG  44   4.630  -0.512  -8.382
  101    HG2  ARG  44           HG2      ARG  44   5.329  -0.813 -10.871
  102    HG3  ARG  44           HG3      ARG  44   4.087   0.397 -11.220
  103    HD2  ARG  44           HD2      ARG  44   6.544   0.728  -9.454
  104    HD3  ARG  44           HD3      ARG  44   6.361   1.321 -11.092
  105    HE   ARG  44           HE       ARG  44   4.906   3.018 -10.406
  106   HH11  ARG  44          HH11      ARG  44   6.020   1.200  -7.589
  107   HH12  ARG  44          HH12      ARG  44   5.988   2.632  -6.605
  108   HH21  ARG  44          HH21      ARG  44   4.957   4.756  -8.988
  109   HH22  ARG  44          HH22      ARG  44   5.374   4.468  -7.298
  110    H    LEU  45           H        LEU  45   1.747  -1.443  -7.464
  111    HA   LEU  45           HA       LEU  45   3.206  -2.852  -5.457
  112    HB2  LEU  45           HB2      LEU  45   0.271  -2.102  -5.640
  113    HB3  LEU  45           HB3      LEU  45   1.008  -2.779  -4.190
  114    HG   LEU  45           HG       LEU  45   1.896  -0.165  -5.490
  115   HD11  LEU  45          HD11      LEU  45   0.158  -0.751  -3.069
  116   HD12  LEU  45          HD12      LEU  45  -0.373  -0.025  -4.597
  117   HD13  LEU  45          HD13      LEU  45   0.746   0.858  -3.535
  118   HD21  LEU  45          HD21      LEU  45   3.725  -1.155  -4.195
  119   HD22  LEU  45          HD22      LEU  45   2.625  -1.441  -2.821
  120   HD23  LEU  45          HD23      LEU  45   3.036   0.212  -3.316
  121    H    ARG  46           H        ARG  46   0.616  -3.982  -7.548
  122    HA   ARG  46           HA       ARG  46   0.205  -6.604  -6.462
  123    HB2  ARG  46           HB2      ARG  46  -1.282  -5.207  -7.885
  124    HB3  ARG  46           HB3      ARG  46  -0.200  -5.454  -9.260
  125    HG2  ARG  46           HG2      ARG  46  -0.730  -7.866  -9.221
  126    HG3  ARG  46           HG3      ARG  46  -1.784  -7.624  -7.812
  127    HD2  ARG  46           HD2      ARG  46  -2.127  -6.252 -10.523
  128    HD3  ARG  46           HD3      ARG  46  -3.005  -7.681 -10.021
  129    HE   ARG  46           HE       ARG  46  -3.282  -4.909  -8.864
  130   HH11  ARG  46          HH11      ARG  46  -4.682  -8.159  -9.017
  131   HH12  ARG  46          HH12      ARG  46  -6.158  -7.600  -8.269
  132   HH21  ARG  46          HH21      ARG  46  -5.012  -4.352  -7.894
  133   HH22  ARG  46          HH22      ARG  46  -6.329  -5.500  -7.539
  134    H    ASN  47           H        ASN  47   2.521  -5.344  -8.825
  135    HA   ASN  47           HA       ASN  47   3.841  -7.962  -9.242
  136    HB2  ASN  47           HB2      ASN  47   4.340  -5.094 -10.100
  137    HB3  ASN  47           HB3      ASN  47   5.642  -6.258 -10.151
  138   HD21  ASN  47          HD21      ASN  47   3.156  -4.976 -11.981
  139   HD22  ASN  47          HD22      ASN  47   3.155  -6.258 -13.217
  140    H    TYR  48           H        TYR  48   4.412  -5.062  -7.170
  141    HA   TYR  48           HA       TYR  48   6.952  -5.724  -6.348
  142    HB2  TYR  48           HB2      TYR  48   4.799  -4.149  -4.971
  143    HB3  TYR  48           HB3      TYR  48   6.292  -4.451  -4.233
  144    HD1  TYR  48           HD1      TYR  48   6.261  -3.576  -7.873
  145    HD2  TYR  48           HD2      TYR  48   6.900  -2.257  -3.837
  146    HE1  TYR  48           HE1      TYR  48   7.225  -1.465  -8.710
  147    HE2  TYR  48           HE2      TYR  48   7.876  -0.139  -4.665
  148    HH   TYR  48           HH       TYR  48   8.515   0.384  -8.107
  149    H    LEU  49           H        LEU  49   3.919  -6.814  -4.837
  150    HA   LEU  49           HA       LEU  49   5.104  -8.003  -2.571
  151    HB2  LEU  49           HB2      LEU  49   2.533  -7.745  -3.682
  152    HB3  LEU  49           HB3      LEU  49   2.792  -9.467  -3.784
  153    HG   LEU  49           HG       LEU  49   2.792  -7.678  -1.347
  154   HD11  LEU  49          HD11      LEU  49   1.115 -10.111  -2.076
  155   HD12  LEU  49          HD12      LEU  49   0.602  -8.415  -2.223
  156   HD13  LEU  49          HD13      LEU  49   0.937  -9.109  -0.620
  157   HD21  LEU  49          HD21      LEU  49   3.505 -10.619  -1.342
  158   HD22  LEU  49          HD22      LEU  49   3.176  -9.600   0.090
  159   HD23  LEU  49          HD23      LEU  49   4.553  -9.248  -0.927
  160    H    LYS  50           H        LYS  50   4.711  -9.456  -5.787
  161    HA   LYS  50           HA       LYS  50   5.769 -12.072  -5.058
  162    HB2  LYS  50           HB2      LYS  50   5.520 -10.688  -7.751
  163    HB3  LYS  50           HB3      LYS  50   5.922 -12.393  -7.480
  164    HG2  LYS  50           HG2      LYS  50   3.754 -12.832  -6.490
  165    HG3  LYS  50           HG3      LYS  50   3.291 -11.127  -6.578
  166    HD2  LYS  50           HD2      LYS  50   3.953 -12.833  -9.015
  167    HD3  LYS  50           HD3      LYS  50   2.317 -12.589  -8.377
  168    HE2  LYS  50           HE2      LYS  50   2.442 -10.190  -8.735
  169    HE3  LYS  50           HE3      LYS  50   4.128 -10.309  -9.268
  170    HZ1  LYS  50           HZ1      LYS  50   1.911 -11.684 -10.682
  171    HZ2  LYS  50           HZ2      LYS  50   3.456 -11.472 -11.206
  172    HZ3  LYS  50           HZ3      LYS  50   2.437 -10.183 -11.080
  173    H    LYS  51           H        LYS  51   7.214  -9.250  -6.710
  174    HA   LYS  51           HA       LYS  51   9.936 -10.304  -6.739
  175    HB2  LYS  51           HB2      LYS  51   8.665  -7.627  -7.189
  176    HB3  LYS  51           HB3      LYS  51  10.431  -7.796  -7.114
  177    HG2  LYS  51           HG2      LYS  51  10.105  -9.643  -8.914
  178    HG3  LYS  51           HG3      LYS  51   8.470  -8.980  -9.087
  179    HD2  LYS  51           HD2      LYS  51   9.701  -7.843 -10.731
  180    HD3  LYS  51           HD3      LYS  51   9.660  -6.693  -9.377
  181    HE2  LYS  51           HE2      LYS  51  11.897  -7.325  -8.692
  182    HE3  LYS  51           HE3      LYS  51  11.959  -8.635  -9.883
  183    HZ1  LYS  51           HZ1      LYS  51  11.662  -5.777 -10.603
  184    HZ2  LYS  51           HZ2      LYS  51  13.118  -6.554 -10.597
  185    HZ3  LYS  51           HZ3      LYS  51  11.926  -7.043 -11.636
  186    H    GLY  52           H        GLY  52   8.107  -8.827  -4.190
  187    HA2  GLY  52           HA2      GLY  52  10.501  -7.876  -2.828
  188    HA3  GLY  52           HA3      GLY  52   8.819  -7.545  -2.449
  189    H    THR  53           H        THR  53   8.115 -10.534  -2.413
  190    HA   THR  53           HA       THR  53   9.274 -11.222   0.249
  191    HB   THR  53           HB       THR  53   7.251 -12.376   0.698
  192    HG1  THR  53           HG1      THR  53   6.248 -11.497  -1.832
  193   HG21  THR  53          HG21      THR  53   5.602 -10.600   0.730
  194   HG22  THR  53          HG22      THR  53   6.590  -9.661  -0.426
  195   HG23  THR  53          HG23      THR  53   7.204 -10.029   1.184
  196    H    LYS  54           H        LYS  54   9.272 -13.554   0.801
  197    HA   LYS  54           HA       LYS  54  10.459 -15.155  -1.317
  198    HB2  LYS  54           HB2      LYS  54   9.808 -15.933   1.545
  199    HB3  LYS  54           HB3      LYS  54  10.857 -16.806   0.430
  200    HG2  LYS  54           HG2      LYS  54  12.412 -14.907   0.304
  201    HG3  LYS  54           HG3      LYS  54  11.395 -13.938   1.362
  202    HD2  LYS  54           HD2      LYS  54  12.822 -16.489   2.136
  203    HD3  LYS  54           HD3      LYS  54  13.323 -14.843   2.540
  204    HE2  LYS  54           HE2      LYS  54  10.721 -16.125   3.475
  205    HE3  LYS  54           HE3      LYS  54  12.215 -16.072   4.415
  206    HZ1  LYS  54           HZ1      LYS  54  10.766 -14.240   5.028
  207    HZ2  LYS  54           HZ2      LYS  54  10.714 -13.679   3.482
  208    HZ3  LYS  54           HZ3      LYS  54  12.112 -13.628   4.309
  209    H    ASN  55           H        ASN  55   7.282 -15.075   0.273
  210    HA   ASN  55           HA       ASN  55   6.225 -16.466  -2.075
  211    HB2  ASN  55           HB2      ASN  55   6.432 -18.358  -0.497
  212    HB3  ASN  55           HB3      ASN  55   5.732 -17.383   0.796
  213   HD21  ASN  55          HD21      ASN  55   3.972 -18.807   1.213
  214   HD22  ASN  55          HD22      ASN  55   2.627 -18.892   0.087
  215    H    SER  56           H        SER  56   4.866 -15.071  -2.888
  216    HA   SER  56           HA       SER  56   3.475 -13.094  -1.277
  217    HB2  SER  56           HB2      SER  56   4.492 -12.664  -3.462
  218    HB3  SER  56           HB3      SER  56   3.304 -13.719  -4.242
  219    HG   SER  56           HG       SER  56   1.872 -12.167  -4.089
  220    H    ALA  57           H        ALA  57   2.603 -16.305  -2.457
  221    HA   ALA  57           HA       ALA  57  -0.171 -15.883  -2.816
  222    HB1  ALA  57           HB1      ALA  57  -0.330 -18.329  -2.820
  223    HB2  ALA  57           HB2      ALA  57   1.285 -18.458  -2.099
  224    HB3  ALA  57           HB3      ALA  57   1.083 -17.794  -3.742
  225    H    GLN  58           H        GLN  58   1.435 -15.901   0.221
  226    HA   GLN  58           HA       GLN  58  -0.812 -16.941   1.760
  227    HB2  GLN  58           HB2      GLN  58   0.461 -16.240   3.691
  228    HB3  GLN  58           HB3      GLN  58   1.466 -17.181   2.590
  229    HG2  GLN  58           HG2      GLN  58   2.510 -15.089   1.750
  230    HG3  GLN  58           HG3      GLN  58   1.533 -14.135   2.835
  231   HE21  GLN  58          HE21      GLN  58   4.601 -14.665   2.655
  232   HE22  GLN  58          HE22      GLN  58   4.954 -15.052   4.334
  233    H    PHE  59           H        PHE  59   0.036 -13.833   0.374
  234    HA   PHE  59           HA       PHE  59  -1.611 -12.282   2.239
  235    HB2  PHE  59           HB2      PHE  59  -0.171 -11.460  -0.283
  236    HB3  PHE  59           HB3      PHE  59  -0.926 -10.383   0.885
  237    HD1  PHE  59           HD1      PHE  59   0.025 -10.229   3.262
  238    HD2  PHE  59           HD2      PHE  59   2.034 -12.335   0.099
  239    HE1  PHE  59           HE1      PHE  59   2.142 -10.179   4.553
  240    HE2  PHE  59           HE2      PHE  59   4.131 -12.340   1.411
  241    HZ   PHE  59           HZ       PHE  59   4.192 -11.220   3.623
  242    H    GLU  60           H        GLU  60  -3.602 -11.388   1.860
  243    HA   GLU  60           HA       GLU  60  -5.057 -12.308  -0.611
  244    HB2  GLU  60           HB2      GLU  60  -6.899 -12.938   0.591
  245    HB3  GLU  60           HB3      GLU  60  -5.560 -13.556   1.571
  246    HG2  GLU  60           HG2      GLU  60  -5.778 -11.569   3.058
  247    HG3  GLU  60           HG3      GLU  60  -7.164 -11.020   2.108
  248    H    LYS  61           H        LYS  61  -4.374  -9.668   1.545
  249    HA   LYS  61           HA       LYS  61  -5.506  -7.883  -0.466
  250    HB2  LYS  61           HB2      LYS  61  -6.963  -6.632   0.889
  251    HB3  LYS  61           HB3      LYS  61  -7.397  -8.311   1.133
  252    HG2  LYS  61           HG2      LYS  61  -6.354  -8.300   3.356
  253    HG3  LYS  61           HG3      LYS  61  -5.711  -6.671   3.080
  254    HD2  LYS  61           HD2      LYS  61  -7.858  -5.688   3.023
  255    HD3  LYS  61           HD3      LYS  61  -8.672  -7.232   2.852
  256    HE2  LYS  61           HE2      LYS  61  -7.070  -6.373   5.292
  257    HE3  LYS  61           HE3      LYS  61  -8.814  -6.165   5.133
  258    HZ1  LYS  61           HZ1      LYS  61  -7.430  -8.807   5.209
  259    HZ2  LYS  61           HZ2      LYS  61  -9.061  -8.581   5.051
  260    HZ3  LYS  61           HZ3      LYS  61  -8.291  -8.111   6.399
  261    H    MET  62           H        MET  62  -5.173  -5.638   0.058
  262    HA   MET  62           HA       MET  62  -2.747  -4.971   1.610
  263    HB2  MET  62           HB2      MET  62  -1.618  -3.921  -0.218
  264    HB3  MET  62           HB3      MET  62  -1.991  -5.585  -0.681
  265    HG2  MET  62           HG2      MET  62  -3.847  -4.837  -2.074
  266    HG3  MET  62           HG3      MET  62  -3.572  -3.157  -1.588
  267    HE1  MET  62           HE1      MET  62  -3.761  -4.153  -4.658
  268    HE2  MET  62           HE2      MET  62  -2.452  -3.183  -5.366
  269    HE3  MET  62           HE3      MET  62  -3.541  -2.458  -4.164
  270    H    VAL  63           H        VAL  63  -2.500  -2.731   2.042
  271    HA   VAL  63           HA       VAL  63  -4.752  -0.937   1.350
  272    HB   VAL  63           HB       VAL  63  -5.227  -2.013   3.564
  273   HG11  VAL  63          HG11      VAL  63  -3.947  -1.866   5.385
  274   HG12  VAL  63          HG12      VAL  63  -3.046  -0.411   4.839
  275   HG13  VAL  63          HG13      VAL  63  -2.692  -1.993   4.154
  276   HG21  VAL  63          HG21      VAL  63  -4.653   0.967   3.822
  277   HG22  VAL  63          HG22      VAL  63  -5.825  -0.012   4.735
  278   HG23  VAL  63          HG23      VAL  63  -6.069   0.285   3.003
  279    H    ILE  64           H        ILE  64  -4.148   1.093   0.951
  280    HA   ILE  64           HA       ILE  64  -1.218   1.732   1.025
  281    HB   ILE  64           HB       ILE  64  -3.338   2.566  -0.980
  282   HG12  ILE  64          HG12      ILE  64  -1.116   0.588  -1.569
  283   HG13  ILE  64          HG13      ILE  64  -2.692   0.035  -1.016
  284   HG21  ILE  64          HG21      ILE  64  -0.299   2.851  -1.057
  285   HG22  ILE  64          HG22      ILE  64  -1.460   4.171  -0.794
  286   HG23  ILE  64          HG23      ILE  64  -1.413   3.343  -2.344
  287   HD11  ILE  64          HD11      ILE  64  -3.794   1.158  -2.912
  288   HD12  ILE  64          HD12      ILE  64  -2.654  -0.113  -3.390
  289   HD13  ILE  64          HD13      ILE  64  -2.193   1.594  -3.567
  290    H    LEU  65           H        LEU  65  -0.652   3.561   2.017
  291    HA   LEU  65           HA       LEU  65  -2.745   5.567   2.777
  292    HB2  LEU  65           HB2      LEU  65  -0.210   4.697   4.227
  293    HB3  LEU  65           HB3      LEU  65  -1.119   6.143   4.624
  294    HG   LEU  65           HG       LEU  65  -2.027   3.255   4.907
  295   HD11  LEU  65          HD11      LEU  65  -1.910   5.469   6.990
  296   HD12  LEU  65          HD12      LEU  65  -0.540   4.414   6.660
  297   HD13  LEU  65          HD13      LEU  65  -2.066   3.717   7.248
  298   HD21  LEU  65          HD21      LEU  65  -3.662   5.799   5.288
  299   HD22  LEU  65          HD22      LEU  65  -4.096   4.224   5.970
  300   HD23  LEU  65          HD23      LEU  65  -4.031   4.430   4.210
  301    H    THR  66           H        THR  66  -2.544   7.452   1.848
  302    HA   THR  66           HA       THR  66   0.116   8.245   0.733
  303    HB   THR  66           HB       THR  66  -0.954   9.457  -1.009
  304    HG1  THR  66           HG1      THR  66  -2.808  10.150   0.001
  305   HG21  THR  66          HG21      THR  66  -0.639   7.029  -1.434
  306   HG22  THR  66          HG22      THR  66  -1.982   7.737  -2.350
  307   HG23  THR  66          HG23      THR  66  -2.318   6.744  -0.916
  308    H    GLU  67           H        GLU  67   0.452  10.618   0.531
  309    HA   GLU  67           HA       GLU  67  -0.290  12.140   2.805
  310    HB2  GLU  67           HB2      GLU  67   0.205  13.286   0.035
  311    HB3  GLU  67           HB3      GLU  67   0.309  14.124   1.578
  312    HG2  GLU  67           HG2      GLU  67   2.168  12.459   2.196
  313    HG3  GLU  67           HG3      GLU  67   2.149  11.964   0.503
  314    H    ASN  68           H        ASN  68  -1.703  14.100   2.808
  315    HA   ASN  68           HA       ASN  68  -3.789  15.030   2.763
  316    HB2  ASN  68           HB2      ASN  68  -3.797  14.094  -0.109
  317    HB3  ASN  68           HB3      ASN  68  -4.788  15.369   0.543
  318   HD21  ASN  68          HD21      ASN  68  -2.395  15.174  -1.493
  319   HD22  ASN  68          HD22      ASN  68  -1.342  16.486  -0.935
  320    H    LYS  69           H        LYS  69  -3.604  12.425   3.800
  321    HA   LYS  69           HA       LYS  69  -4.917  11.036   4.963
  322    HB2  LYS  69           HB2      LYS  69  -7.351  12.543   4.003
  323    HB3  LYS  69           HB3      LYS  69  -7.192  11.562   5.452
  324    HG2  LYS  69           HG2      LYS  69  -5.608  13.186   6.405
  325    HG3  LYS  69           HG3      LYS  69  -5.756  14.209   4.973
  326    HD2  LYS  69           HD2      LYS  69  -7.925  13.565   7.000
  327    HD3  LYS  69           HD3      LYS  69  -7.074  15.096   6.753
  328    HE2  LYS  69           HE2      LYS  69  -8.062  15.148   4.401
  329    HE3  LYS  69           HE3      LYS  69  -9.083  13.788   4.868
  330    HZ1  LYS  69           HZ1      LYS  69  -9.002  16.380   6.312
  331    HZ2  LYS  69           HZ2      LYS  69 -10.108  15.164   6.542
  332    HZ3  LYS  69           HZ3      LYS  69 -10.093  16.032   5.148
  333    H    GLY  70           H        GLY  70  -4.571  10.606   1.865
  334    HA2  GLY  70           HA2      GLY  70  -6.813   9.034   1.057
  335    HA3  GLY  70           HA3      GLY  70  -5.207   8.930   0.358
  336    H    TYR  71           H        TYR  71  -7.374   7.010   1.272
  337    HA   TYR  71           HA       TYR  71  -5.642   4.918   2.483
  338    HB2  TYR  71           HB2      TYR  71  -6.714   5.780   4.418
  339    HB3  TYR  71           HB3      TYR  71  -8.242   5.992   3.587
  340    HD1  TYR  71           HD1      TYR  71  -9.800   4.170   3.234
  341    HD2  TYR  71           HD2      TYR  71  -6.105   3.527   5.381
  342    HE1  TYR  71           HE1      TYR  71 -10.694   2.031   4.136
  343    HE2  TYR  71           HE2      TYR  71  -7.034   1.430   6.316
  344    HH   TYR  71           HH       TYR  71 -10.349   0.306   5.580
  345    H    TYR  72           H        TYR  72  -5.641   3.442   0.887
  346    HA   TYR  72           HA       TYR  72  -8.191   2.837  -0.601
  347    HB2  TYR  72           HB2      TYR  72  -5.393   2.822  -1.739
  348    HB3  TYR  72           HB3      TYR  72  -6.893   2.575  -2.596
  349    HD1  TYR  72           HD1      TYR  72  -8.358   4.498  -3.166
  350    HD2  TYR  72           HD2      TYR  72  -4.616   5.069  -1.102
  351    HE1  TYR  72           HE1      TYR  72  -8.376   6.897  -3.809
  352    HE2  TYR  72           HE2      TYR  72  -4.644   7.484  -1.740
  353    HH   TYR  72           HH       TYR  72  -7.292   8.915  -3.689
  354    H    THR  73           H        THR  73  -8.861   0.775  -0.174
  355    HA   THR  73           HA       THR  73  -6.789  -1.274   0.519
  356    HB   THR  73           HB       THR  73  -8.065  -0.435   2.452
  357    HG1  THR  73           HG1      THR  73  -8.235  -2.413   3.276
  358   HG21  THR  73          HG21      THR  73 -10.434  -1.978   1.340
  359   HG22  THR  73          HG22      THR  73 -10.331  -0.203   1.393
  360   HG23  THR  73          HG23      THR  73 -10.308  -1.136   2.896
  361    H    VAL  74           H        VAL  74  -6.812  -3.230  -0.359
  362    HA   VAL  74           HA       VAL  74  -8.809  -3.788  -2.528
  363    HB   VAL  74           HB       VAL  74  -5.779  -3.628  -2.869
  364   HG11  VAL  74          HG11      VAL  74  -6.807  -5.248  -4.401
  365   HG12  VAL  74          HG12      VAL  74  -6.319  -3.809  -5.290
  366   HG13  VAL  74          HG13      VAL  74  -8.032  -4.045  -4.883
  367   HG21  VAL  74          HG21      VAL  74  -6.563  -1.354  -2.654
  368   HG22  VAL  74          HG22      VAL  74  -7.944  -1.686  -3.738
  369   HG23  VAL  74          HG23      VAL  74  -6.274  -1.704  -4.352
  370    H    TYR  75           H        TYR  75  -9.379  -5.881  -2.534
  371    HA   TYR  75           HA       TYR  75  -7.664  -7.921  -1.247
  372    HB2  TYR  75           HB2      TYR  75 -10.381  -8.033  -2.553
  373    HB3  TYR  75           HB3      TYR  75  -9.470  -9.474  -2.134
  374    HD1  TYR  75           HD1      TYR  75 -11.243  -6.519  -0.768
  375    HD2  TYR  75           HD2      TYR  75  -9.132 -10.165   0.182
  376    HE1  TYR  75           HE1      TYR  75 -12.139  -6.443   1.553
  377    HE2  TYR  75           HE2      TYR  75 -10.037 -10.086   2.494
  378    HH   TYR  75           HH       TYR  75 -11.278  -8.917   4.001
  379    H    LEU  76           H        LEU  76  -6.302  -9.149  -2.232
  380    HA   LEU  76           HA       LEU  76  -5.553  -8.736  -5.038
  381    HB2  LEU  76           HB2      LEU  76  -4.470 -10.493  -2.796
  382    HB3  LEU  76           HB3      LEU  76  -3.694 -10.314  -4.365
  383    HG   LEU  76           HG       LEU  76  -4.221  -7.922  -2.536
  384   HD11  LEU  76          HD11      LEU  76  -1.908  -8.069  -1.827
  385   HD12  LEU  76          HD12      LEU  76  -1.697  -9.589  -2.734
  386   HD13  LEU  76          HD13      LEU  76  -2.803  -9.516  -1.343
  387   HD21  LEU  76          HD21      LEU  76  -2.432  -6.874  -3.875
  388   HD22  LEU  76          HD22      LEU  76  -3.787  -7.346  -4.902
  389   HD23  LEU  76          HD23      LEU  76  -2.309  -8.335  -4.876
  390    H    ASN  77           H        ASN  77  -7.906 -10.601  -3.656
  391    HA   ASN  77           HA       ASN  77  -7.749 -13.087  -5.051
  392    HB2  ASN  77           HB2      ASN  77 -10.216 -11.579  -4.092
  393    HB3  ASN  77           HB3      ASN  77 -10.116 -13.304  -4.417
  394   HD21  ASN  77          HD21      ASN  77 -10.988 -12.018  -2.027
  395   HD22  ASN  77          HD22      ASN  77  -9.915 -12.571  -0.742
  396    H    THR  78           H        THR  78  -8.351  -9.975  -6.435
  397    HA   THR  78           HA       THR  78  -9.461 -11.236  -8.863
  398    HB   THR  78           HB       THR  78 -11.129  -9.510  -9.174
  399    HG1  THR  78           HG1      THR  78 -11.623  -8.067  -7.601
  400   HG21  THR  78          HG21      THR  78 -11.505 -10.717  -6.395
  401   HG22  THR  78          HG22      THR  78 -11.799 -11.576  -7.926
  402   HG23  THR  78          HG23      THR  78 -12.769 -10.158  -7.500
  403    HA   PRO  79           HA       PRO  79  -6.514  -8.452 -10.853
  404    HB2  PRO  79           HB2      PRO  79  -8.520  -8.505 -13.101
  405    HB3  PRO  79           HB3      PRO  79  -6.744  -8.724 -13.163
  406    HG2  PRO  79           HG2      PRO  79  -8.366 -10.879 -13.313
  407    HG3  PRO  79           HG3      PRO  79  -6.910 -10.932 -12.263
  408    HD2  PRO  79           HD2      PRO  79  -9.774 -10.424 -11.433
  409    HD3  PRO  79           HD3      PRO  79  -8.538 -11.502 -10.710
  410    H    LEU  80           H        LEU  80  -6.309  -6.260 -11.608
  411    HA   LEU  80           HA       LEU  80  -8.008  -4.287 -10.504
  412    HB2  LEU  80           HB2      LEU  80  -5.521  -4.231 -11.160
  413    HB3  LEU  80           HB3      LEU  80  -6.049  -4.003 -12.822
  414    HG   LEU  80           HG       LEU  80  -7.123  -1.846 -12.176
  415   HD11  LEU  80          HD11      LEU  80  -6.083  -2.627  -9.431
  416   HD12  LEU  80          HD12      LEU  80  -7.747  -2.234  -9.877
  417   HD13  LEU  80          HD13      LEU  80  -6.518  -0.956  -9.852
  418   HD21  LEU  80          HD21      LEU  80  -4.245  -2.132 -11.219
  419   HD22  LEU  80          HD22      LEU  80  -5.046  -0.610 -11.667
  420   HD23  LEU  80          HD23      LEU  80  -4.769  -1.864 -12.891
  421    H    ALA  81           H        ALA  81  -9.300  -2.672 -11.599
  422    HA   ALA  81           HA       ALA  81 -10.600  -3.502 -14.157
  423    HB1  ALA  81           HB1      ALA  81 -11.924  -2.607 -11.556
  424    HB2  ALA  81           HB2      ALA  81 -11.932  -4.255 -12.222
  425    HB3  ALA  81           HB3      ALA  81 -12.766  -2.949 -13.080
  426    H    GLU  82           H        GLU  82 -11.835  -1.774 -15.206
  427    HA   GLU  82           HA       GLU  82 -10.055   0.239 -15.923
  428    HB2  GLU  82           HB2      GLU  82 -13.044   0.047 -16.385
  429    HB3  GLU  82           HB3      GLU  82 -12.006   1.215 -17.200
  430    HG2  GLU  82           HG2      GLU  82 -10.847  -0.405 -18.426
  431    HG3  GLU  82           HG3      GLU  82 -11.286  -1.716 -17.335
  432    H    ASP  83           H        ASP  83 -12.686   0.633 -13.522
  433    HA   ASP  83           HA       ASP  83 -12.492   3.525 -13.484
  434    HB2  ASP  83           HB2      ASP  83 -13.396   1.589 -11.324
  435    HB3  ASP  83           HB3      ASP  83 -13.638   3.338 -11.290
  436    H    ARG  84           H        ARG  84 -10.976   0.936 -11.622
  437    HA   ARG  84           HA       ARG  84  -9.372   2.635  -9.899
  438    HB2  ARG  84           HB2      ARG  84  -8.953  -0.300 -10.580
  439    HB3  ARG  84           HB3      ARG  84  -8.353   0.595  -9.184
  440    HG2  ARG  84           HG2      ARG  84 -10.893   0.995  -8.640
  441    HG3  ARG  84           HG3      ARG  84 -11.188  -0.305  -9.797
  442    HD2  ARG  84           HD2      ARG  84 -11.150  -1.354  -7.679
  443    HD3  ARG  84           HD3      ARG  84  -9.604  -1.750  -8.423
  444    HE   ARG  84           HE       ARG  84 -10.083   0.359  -6.332
  445   HH11  ARG  84          HH11      ARG  84  -7.876  -2.156  -7.438
  446   HH12  ARG  84          HH12      ARG  84  -6.484  -1.407  -6.702
  447   HH21  ARG  84          HH21      ARG  84  -8.382   1.080  -5.156
  448   HH22  ARG  84          HH22      ARG  84  -6.798   0.331  -5.350
  449    H    LYS  85           H        LYS  85  -8.985   1.400 -13.140
  450    HA   LYS  85           HA       LYS  85  -6.140   1.927 -13.339
  451    HB2  LYS  85           HB2      LYS  85  -8.238   1.730 -15.515
  452    HB3  LYS  85           HB3      LYS  85  -6.511   1.945 -15.797
  453    HG2  LYS  85           HG2      LYS  85  -6.103  -0.205 -14.498
  454    HG3  LYS  85           HG3      LYS  85  -7.859  -0.458 -14.514
  455    HD2  LYS  85           HD2      LYS  85  -7.752  -0.175 -17.059
  456    HD3  LYS  85           HD3      LYS  85  -5.985  -0.217 -16.890
  457    HE2  LYS  85           HE2      LYS  85  -6.164  -2.467 -15.821
  458    HE3  LYS  85           HE3      LYS  85  -7.925  -2.419 -16.061
  459    HZ1  LYS  85           HZ1      LYS  85  -6.930  -3.601 -17.871
  460    HZ2  LYS  85           HZ2      LYS  85  -5.843  -2.403 -18.170
  461    HZ3  LYS  85           HZ3      LYS  85  -7.447  -2.160 -18.482
  462    H    ASN  86           H        ASN  86  -8.918   4.013 -13.447
  463    HA   ASN  86           HA       ASN  86  -7.256   6.247 -14.570
  464    HB2  ASN  86           HB2      ASN  86 -10.184   5.507 -14.973
  465    HB3  ASN  86           HB3      ASN  86  -9.432   6.982 -15.571
  466   HD21  ASN  86          HD21      ASN  86  -9.949   3.643 -16.221
  467   HD22  ASN  86          HD22      ASN  86  -8.977   3.610 -17.695
  468    H    VAL  87           H        VAL  87  -8.902   5.361 -11.735
  469    HA   VAL  87           HA       VAL  87  -9.750   7.913 -10.784
  470    HB   VAL  87           HB       VAL  87 -10.310   5.688  -9.815
  471   HG11  VAL  87          HG11      VAL  87  -7.999   4.734  -9.814
  472   HG12  VAL  87          HG12      VAL  87  -8.893   4.548  -8.294
  473   HG13  VAL  87          HG13      VAL  87  -7.613   5.779  -8.434
  474   HG21  VAL  87          HG21      VAL  87 -10.435   6.419  -7.523
  475   HG22  VAL  87          HG22      VAL  87 -10.664   7.829  -8.573
  476   HG23  VAL  87          HG23      VAL  87  -9.112   7.578  -7.749
  477    H    GLU  88           H        GLU  88  -8.738   9.521  -9.687
  478    HA   GLU  88           HA       GLU  88  -5.810   9.726  -9.984
  479    HB2  GLU  88           HB2      GLU  88  -7.929  11.746  -9.148
  480    HB3  GLU  88           HB3      GLU  88  -6.205  12.092  -9.369
  481    HG2  GLU  88           HG2      GLU  88  -6.381  11.358 -11.752
  482    HG3  GLU  88           HG3      GLU  88  -8.115  11.096 -11.540
  483    H    LEU  89           H        LEU  89  -4.412  10.302  -8.284
  484    HA   LEU  89           HA       LEU  89  -5.119   9.117  -5.667
  485    HB2  LEU  89           HB2      LEU  89  -2.551  10.058  -7.013
  486    HB3  LEU  89           HB3      LEU  89  -2.579   9.550  -5.337
  487    HG   LEU  89           HG       LEU  89  -3.436   7.761  -7.641
  488   HD11  LEU  89          HD11      LEU  89  -1.348   6.583  -7.319
  489   HD12  LEU  89          HD12      LEU  89  -0.894   7.655  -5.977
  490   HD13  LEU  89          HD13      LEU  89  -0.978   8.284  -7.629
  491   HD21  LEU  89          HD21      LEU  89  -3.099   6.002  -5.807
  492   HD22  LEU  89          HD22      LEU  89  -4.515   7.031  -5.580
  493   HD23  LEU  89          HD23      LEU  89  -3.033   7.316  -4.639
  494    H    LEU  90           H        LEU  90  -5.149  10.139  -3.700
  495    HA   LEU  90           HA       LEU  90  -5.520  12.990  -3.548
  496    HB2  LEU  90           HB2      LEU  90  -5.381  10.666  -1.636
  497    HB3  LEU  90           HB3      LEU  90  -5.138  12.259  -0.951
  498    HG   LEU  90           HG       LEU  90  -7.543  11.676  -2.715
  499   HD11  LEU  90          HD11      LEU  90  -7.320  11.420   0.312
  500   HD12  LEU  90          HD12      LEU  90  -7.624  10.101  -0.849
  501   HD13  LEU  90          HD13      LEU  90  -8.830  11.374  -0.623
  502   HD21  LEU  90          HD21      LEU  90  -6.961  13.777  -0.571
  503   HD22  LEU  90          HD22      LEU  90  -8.489  13.599  -1.447
  504   HD23  LEU  90          HD23      LEU  90  -7.028  14.070  -2.321
  505    H    GLY  91           H        GLY  91  -2.627  10.992  -3.042
  506    HA2  GLY  91           HA2      GLY  91  -0.850  13.281  -3.103
  507    HA3  GLY  91           HA3      GLY  91  -1.099  12.660  -1.475
  508    H    LYS  92           H        LYS  92   1.391  12.500  -1.953
  509    HA   LYS  92           HA       LYS  92   2.417  10.418  -3.601
  510    HB2  LYS  92           HB2      LYS  92   3.512  12.140  -1.390
  511    HB3  LYS  92           HB3      LYS  92   4.416  10.793  -1.994
  512    HG2  LYS  92           HG2      LYS  92   5.224  12.633  -3.127
  513    HG3  LYS  92           HG3      LYS  92   4.363  11.607  -4.269
  514    HD2  LYS  92           HD2      LYS  92   2.548  13.129  -4.463
  515    HD3  LYS  92           HD3      LYS  92   3.067  14.064  -3.036
  516    HE2  LYS  92           HE2      LYS  92   4.978  14.931  -4.121
  517    HE3  LYS  92           HE3      LYS  92   4.925  13.718  -5.399
  518    HZ1  LYS  92           HZ1      LYS  92   4.126  15.904  -6.163
  519    HZ2  LYS  92           HZ2      LYS  92   2.831  15.801  -5.122
  520    HZ3  LYS  92           HZ3      LYS  92   3.044  14.712  -6.351
  521    H    MET  93           H        MET  93   3.317   8.456  -3.124
  522    HA   MET  93           HA       MET  93   1.749   6.631  -1.569
  523    HB2  MET  93           HB2      MET  93   2.724   6.146  -3.797
  524    HB3  MET  93           HB3      MET  93   4.349   6.266  -3.110
  525    HG2  MET  93           HG2      MET  93   3.606   4.248  -1.624
  526    HG3  MET  93           HG3      MET  93   2.279   4.094  -2.764
  527    HE1  MET  93           HE1      MET  93   5.892   1.774  -3.167
  528    HE2  MET  93           HE2      MET  93   4.481   1.848  -2.087
  529    HE3  MET  93           HE3      MET  93   5.806   3.026  -1.902
  530    H    TYR  94           H        TYR  94   2.353   7.954   0.569
  531    HA   TYR  94           HA       TYR  94   4.834   7.719   1.789
  532    HB2  TYR  94           HB2      TYR  94   3.294   9.127   2.831
  533    HB3  TYR  94           HB3      TYR  94   2.047   7.920   2.888
  534    HD1  TYR  94           HD1      TYR  94   5.193   9.082   4.482
  535    HD2  TYR  94           HD2      TYR  94   1.876   6.335   4.733
  536    HE1  TYR  94           HE1      TYR  94   5.886   8.456   6.779
  537    HE2  TYR  94           HE2      TYR  94   2.572   5.717   7.045
  538    HH   TYR  94           HH       TYR  94   5.443   7.128   8.614
  539    H    LYS  95           H        LYS  95   2.192   5.240   2.122
  540    HA   LYS  95           HA       LYS  95   4.280   3.193   2.280
  541    HB2  LYS  95           HB2      LYS  95   3.773   4.336   4.660
  542    HB3  LYS  95           HB3      LYS  95   2.446   3.199   4.693
  543    HG2  LYS  95           HG2      LYS  95   3.900   1.338   4.749
  544    HG3  LYS  95           HG3      LYS  95   5.238   2.221   4.011
  545    HD2  LYS  95           HD2      LYS  95   4.214   2.783   6.804
  546    HD3  LYS  95           HD3      LYS  95   5.578   1.718   6.436
  547    HE2  LYS  95           HE2      LYS  95   6.713   3.680   5.320
  548    HE3  LYS  95           HE3      LYS  95   5.370   4.707   5.835
  549    HZ1  LYS  95           HZ1      LYS  95   7.059   4.926   7.444
  550    HZ2  LYS  95           HZ2      LYS  95   7.327   3.326   7.564
  551    HZ3  LYS  95           HZ3      LYS  95   5.938   3.957   8.177
  552    H    THR  96           H        THR  96   3.511   1.015   2.300
  553    HA   THR  96           HA       THR  96   0.578   0.599   1.954
  554    HB   THR  96           HB       THR  96   2.670  -0.794   0.239
  555    HG1  THR  96           HG1      THR  96   2.037   1.498  -0.118
  556   HG21  THR  96          HG21      THR  96   0.740  -1.636  -1.030
  557   HG22  THR  96          HG22      THR  96  -0.379  -0.820   0.079
  558   HG23  THR  96          HG23      THR  96   0.608  -2.171   0.644
  559    H    TYR  97           H        TYR  97  -0.166  -1.185   2.869
  560    HA   TYR  97           HA       TYR  97   1.681  -2.999   4.387
  561    HB2  TYR  97           HB2      TYR  97  -1.022  -2.118   5.451
  562    HB3  TYR  97           HB3      TYR  97   0.183  -3.024   6.234
  563    HD1  TYR  97           HD1      TYR  97  -0.738   0.377   5.088
  564    HD2  TYR  97           HD2      TYR  97   2.005  -2.012   7.385
  565    HE1  TYR  97           HE1      TYR  97   0.112   2.419   6.208
  566    HE2  TYR  97           HE2      TYR  97   2.909   0.039   8.453
  567    HH   TYR  97           HH       TYR  97   1.466   3.279   7.981
  568    H    PHE  98           H        PHE  98   1.012  -5.141   4.580
  569    HA   PHE  98           HA       PHE  98  -1.261  -6.041   2.810
  570    HB2  PHE  98           HB2      PHE  98   1.556  -7.123   3.004
  571    HB3  PHE  98           HB3      PHE  98   0.268  -7.849   2.062
  572    HD1  PHE  98           HD1      PHE  98   2.417  -4.770   2.293
  573    HD2  PHE  98           HD2      PHE  98  -0.256  -7.121  -0.129
  574    HE1  PHE  98           HE1      PHE  98   2.983  -3.384   0.336
  575    HE2  PHE  98           HE2      PHE  98   0.361  -5.764  -2.118
  576    HZ   PHE  98           HZ       PHE  98   1.964  -3.891  -1.893
  577    H    PHE  99           H        PHE  99  -2.204  -8.088   3.254
  578    HA   PHE  99           HA       PHE  99  -1.768  -9.077   6.063
  579    HB2  PHE  99           HB2      PHE  99  -4.437  -8.519   4.745
  580    HB3  PHE  99           HB3      PHE  99  -4.157  -9.073   6.393
  581    HD1  PHE  99           HD1      PHE  99  -3.703  -6.225   4.044
  582    HD2  PHE  99           HD2      PHE  99  -3.683  -7.464   8.177
  583    HE1  PHE  99           HE1      PHE  99  -3.378  -3.922   4.724
  584    HE2  PHE  99           HE2      PHE  99  -3.451  -5.102   8.863
  585    HZ   PHE  99           HZ       PHE  99  -3.215  -3.313   7.152
  586    H    LYS 100           H        LYS 100  -1.753 -11.183   6.342
  587    HA   LYS 100           HA       LYS 100  -1.989 -12.958   4.043
  588    HB2  LYS 100           HB2      LYS 100  -1.426 -13.524   6.957
  589    HB3  LYS 100           HB3      LYS 100  -1.347 -14.722   5.641
  590    HG2  LYS 100           HG2      LYS 100   0.582 -13.999   4.815
  591    HG3  LYS 100           HG3      LYS 100   0.277 -12.299   5.088
  592    HD2  LYS 100           HD2      LYS 100   0.749 -12.638   7.522
  593    HD3  LYS 100           HD3      LYS 100   1.123 -14.337   7.178
  594    HE2  LYS 100           HE2      LYS 100   2.880 -13.435   5.525
  595    HE3  LYS 100           HE3      LYS 100   2.603 -11.845   6.262
  596    HZ1  LYS 100           HZ1      LYS 100   3.375 -14.288   7.767
  597    HZ2  LYS 100           HZ2      LYS 100   3.231 -12.805   8.400
  598    HZ3  LYS 100           HZ3      LYS 100   4.454 -13.160   7.318
  599    H    LYS 101           H        LYS 101  -3.205 -14.926   4.067
  600    HA   LYS 101           HA       LYS 101  -6.016 -14.465   4.345
  601    HB2  LYS 101           HB2      LYS 101  -6.317 -16.729   3.471
  602    HB3  LYS 101           HB3      LYS 101  -5.299 -15.673   2.510
  603    HG2  LYS 101           HG2      LYS 101  -3.265 -16.849   3.395
  604    HG3  LYS 101           HG3      LYS 101  -4.332 -17.983   4.238
  605    HD2  LYS 101           HD2      LYS 101  -5.328 -18.680   2.114
  606    HD3  LYS 101           HD3      LYS 101  -4.400 -17.458   1.224
  607    HE2  LYS 101           HE2      LYS 101  -2.294 -18.543   1.789
  608    HE3  LYS 101           HE3      LYS 101  -3.122 -19.712   2.825
  609    HZ1  LYS 101           HZ1      LYS 101  -4.243 -20.577   0.883
  610    HZ2  LYS 101           HZ2      LYS 101  -2.616 -20.653   0.648
  611    HZ3  LYS 101           HZ3      LYS 101  -3.531 -19.506  -0.118
  612    H    GLY 102           H        GLY 102  -5.818 -13.851   6.610
  613    HA2  GLY 102           HA2      GLY 102  -7.554 -15.033   8.259
  614    HA3  GLY 102           HA3      GLY 102  -6.139 -16.031   8.608
  615    H    GLU 103           H        GLU 103  -6.079 -12.488   7.962
  616    HA   GLU 103           HA       GLU 103  -4.843 -12.097  10.670
  617    HB2  GLU 103           HB2      GLU 103  -3.351 -12.509   8.574
  618    HB3  GLU 103           HB3      GLU 103  -3.852 -10.880   8.078
  619    HG2  GLU 103           HG2      GLU 103  -2.793  -9.881   9.967
  620    HG3  GLU 103           HG3      GLU 103  -2.563 -11.462  10.746
  621    H    SER 104           H        SER 104  -4.745  -9.888  11.450
  622    HA   SER 104           HA       SER 104  -6.269  -7.805   9.980
  623    HB2  SER 104           HB2      SER 104  -7.536  -7.143  11.924
  624    HB3  SER 104           HB3      SER 104  -7.913  -8.797  11.486
  625    HG   SER 104           HG       SER 104  -6.747  -9.545  13.213
  626    H    LYS 105           H        LYS 105  -3.344  -8.428  11.198
  627    HA   LYS 105           HA       LYS 105  -2.892  -5.514  11.147
  628    HB2  LYS 105           HB2      LYS 105  -2.965  -5.992  13.553
  629    HB3  LYS 105           HB3      LYS 105  -1.671  -7.191  13.371
  630    HG2  LYS 105           HG2      LYS 105  -0.064  -5.575  12.804
  631    HG3  LYS 105           HG3      LYS 105  -1.237  -4.305  12.547
  632    HD2  LYS 105           HD2      LYS 105  -0.559  -3.719  14.661
  633    HD3  LYS 105           HD3      LYS 105  -1.852  -4.820  15.135
  634    HE2  LYS 105           HE2      LYS 105  -0.207  -6.670  15.307
  635    HE3  LYS 105           HE3      LYS 105   1.072  -5.568  14.767
  636    HZ1  LYS 105           HZ1      LYS 105   1.160  -5.690  17.145
  637    HZ2  LYS 105           HZ2      LYS 105  -0.450  -5.375  17.302
  638    HZ3  LYS 105           HZ3      LYS 105   0.580  -4.207  16.763
  639    H    SER 106           H        SER 106  -1.214  -5.021   9.888
  640    HA   SER 106           HA       SER 106  -0.342  -7.090   8.116
  641    HB2  SER 106           HB2      SER 106  -0.651  -4.688   7.539
  642    HB3  SER 106           HB3      SER 106   0.840  -4.306   8.426
  643    HG   SER 106           HG       SER 106   0.592  -6.133   6.260
  644    H    SER 107           H        SER 107   1.688  -7.953   7.676
  645    HA   SER 107           HA       SER 107   3.951  -7.505   9.552
  646    HB2  SER 107           HB2      SER 107   2.802 -10.089   8.509
  647    HB3  SER 107           HB3      SER 107   4.458  -9.987   9.090
  648    HG   SER 107           HG       SER 107   3.683  -9.206  11.093
  649    H    TYR 108           H        TYR 108   3.029  -6.958   6.463
  650    HA   TYR 108           HA       TYR 108   5.805  -6.940   5.499
  651    HB2  TYR 108           HB2      TYR 108   5.058  -9.024   4.537
  652    HB3  TYR 108           HB3      TYR 108   3.547  -8.293   4.008
  653    HD1  TYR 108           HD1      TYR 108   7.257  -8.142   3.467
  654    HD2  TYR 108           HD2      TYR 108   3.369  -7.247   1.897
  655    HE1  TYR 108           HE1      TYR 108   8.281  -7.550   1.251
  656    HE2  TYR 108           HE2      TYR 108   4.366  -6.566  -0.254
  657    HH   TYR 108           HH       TYR 108   6.287  -6.430  -1.502
  658    H    VAL 109           H        VAL 109   6.259  -5.258   4.320
  659    HA   VAL 109           HA       VAL 109   4.210  -3.225   3.651
  660    HB   VAL 109           HB       VAL 109   5.749  -1.593   4.992
  661   HG11  VAL 109          HG11      VAL 109   3.480  -2.124   5.630
  662   HG12  VAL 109          HG12      VAL 109   4.558  -1.935   7.043
  663   HG13  VAL 109          HG13      VAL 109   4.047  -3.559   6.529
  664   HG21  VAL 109          HG21      VAL 109   6.331  -4.084   6.631
  665   HG22  VAL 109          HG22      VAL 109   6.958  -2.431   6.826
  666   HG23  VAL 109          HG23      VAL 109   7.449  -3.440   5.428
  667    H    ILE 110           H        ILE 110   5.005  -1.372   2.652
  668    HA   ILE 110           HA       ILE 110   7.661  -1.480   1.294
  669    HB   ILE 110           HB       ILE 110   4.987  -1.151  -0.046
  670   HG12  ILE 110          HG12      ILE 110   6.870  -3.491  -0.257
  671   HG13  ILE 110          HG13      ILE 110   5.332  -3.541   0.558
  672   HG21  ILE 110          HG21      ILE 110   7.698  -1.451  -1.397
  673   HG22  ILE 110          HG22      ILE 110   6.924   0.125  -1.096
  674   HG23  ILE 110          HG23      ILE 110   6.150  -1.036  -2.163
  675   HD11  ILE 110          HD11      ILE 110   4.157  -3.138  -1.581
  676   HD12  ILE 110          HD12      ILE 110   5.095  -4.657  -1.503
  677   HD13  ILE 110          HD13      ILE 110   5.694  -3.275  -2.417
  678    H    ASN 111           H        ASN 111   8.548   0.520   1.442
  679    HA   ASN 111           HA       ASN 111   6.901   2.745   2.598
  680    HB2  ASN 111           HB2      ASN 111   9.893   2.117   2.709
  681    HB3  ASN 111           HB3      ASN 111   9.169   3.601   3.318
  682   HD21  ASN 111          HD21      ASN 111  10.570   2.346   5.155
  683   HD22  ASN 111          HD22      ASN 111   9.438   1.694   6.320
  684    H    GLY 112           H        GLY 112   6.981   4.841   1.672
  685    HA2  GLY 112           HA2      GLY 112   8.647   5.283  -0.735
  686    HA3  GLY 112           HA3      GLY 112   6.909   5.124  -0.989
  687    HA   PRO 113           HA       PRO 113   8.256   9.529  -0.207
  688    HB2  PRO 113           HB2      PRO 113   7.028  10.698  -2.377
  689    HB3  PRO 113           HB3      PRO 113   8.645   9.935  -2.428
  690    HG2  PRO 113           HG2      PRO 113   6.000   8.714  -3.246
  691    HG3  PRO 113           HG3      PRO 113   7.560   8.699  -4.137
  692    HD2  PRO 113           HD2      PRO 113   6.745   6.600  -2.618
  693    HD3  PRO 113           HD3      PRO 113   8.470   7.068  -2.701
  694    H    GLY 114           H        GLY 114   7.184  10.885   0.950
  695    HA2  GLY 114           HA2      GLY 114   4.812  12.086   0.805
  696    HA3  GLY 114           HA3      GLY 114   4.342  10.616   1.661
  697    H    LYS 115           H        LYS 115   4.381  13.423   2.585
  698    HA   LYS 115           HA       LYS 115   6.203  13.270   4.949
  699    HB2  LYS 115           HB2      LYS 115   6.890  14.698   2.885
  700    HB3  LYS 115           HB3      LYS 115   5.580  15.776   3.337
  701    HG2  LYS 115           HG2      LYS 115   7.132  15.304   5.728
  702    HG3  LYS 115           HG3      LYS 115   8.276  15.505   4.420
  703    HD2  LYS 115           HD2      LYS 115   7.903  17.626   5.490
  704    HD3  LYS 115           HD3      LYS 115   7.250  17.708   3.848
  705    HE2  LYS 115           HE2      LYS 115   4.976  17.482   4.665
  706    HE3  LYS 115           HE3      LYS 115   5.543  17.072   6.294
  707    HZ1  LYS 115           HZ1      LYS 115   6.066  19.708   5.037
  708    HZ2  LYS 115           HZ2      LYS 115   6.346  19.280   6.585
  709    HZ3  LYS 115           HZ3      LYS 115   4.791  19.408   6.043
  710    H    THR 116           H        THR 116   2.938  13.761   3.937
  711    HA   THR 116           HA       THR 116   2.297  13.728   6.719
  712    HB   THR 116           HB       THR 116   2.484  16.082   6.735
  713    HG1  THR 116           HG1      THR 116   0.601  16.534   7.530
  714   HG21  THR 116          HG21      THR 116   0.471  16.318   4.472
  715   HG22  THR 116          HG22      THR 116   2.224  16.574   4.290
  716   HG23  THR 116          HG23      THR 116   1.277  17.628   5.355
  717    H    ASN 117           H        ASN 117   0.945  12.165   6.841
  718    HA   ASN 117           HA       ASN 117  -1.122  11.491   4.887
  719    HB2  ASN 117           HB2      ASN 117  -0.501  10.537   7.705
  720    HB3  ASN 117           HB3      ASN 117  -1.814   9.905   6.707
  721   HD21  ASN 117          HD21      ASN 117  -1.261   9.073   4.539
  722   HD22  ASN 117          HD22      ASN 117   0.337   8.324   4.356
  723    H    GLU 118           H        GLU 118  -0.993  14.217   6.747
  724    HA   GLU 118           HA       GLU 118  -3.900  14.188   7.447
  725    HB2  GLU 118           HB2      GLU 118  -1.597  15.461   8.966
  726    HB3  GLU 118           HB3      GLU 118  -3.313  15.543   9.389
  727    HG2  GLU 118           HG2      GLU 118  -3.287  12.968   9.395
  728    HG3  GLU 118           HG3      GLU 118  -1.523  13.089   9.400
  729    H    TYR 119           H        TYR 119  -2.136  15.412   5.147
  730    HA   TYR 119           HA       TYR 119  -2.917  16.674   3.495
  731    HB2  TYR 119           HB2      TYR 119  -5.130  16.911   5.044
  732    HB3  TYR 119           HB3      TYR 119  -4.643  18.586   4.939
  733    HD1  TYR 119           HD1      TYR 119  -4.054  19.391   2.383
  734    HD2  TYR 119           HD2      TYR 119  -6.512  16.017   3.471
  735    HE1  TYR 119           HE1      TYR 119  -5.114  19.427   0.132
  736    HE2  TYR 119           HE2      TYR 119  -7.606  16.093   1.248
  737    HH   TYR 119           HH       TYR 119  -6.535  18.309  -1.334
  738    H    ALA 120           H        ALA 120  -1.416  17.799   2.610
  739    HA   ALA 120           HA       ALA 120   0.299  19.525   4.141
  740    HB1  ALA 120           HB1      ALA 120   1.040  17.939   2.337
  741    HB2  ALA 120           HB2      ALA 120   1.612  19.593   2.075
  742    HB3  ALA 120           HB3      ALA 120   0.232  18.977   1.144
  743    H    TYR 121           H        TYR 121  -2.459  20.568   3.848
  744    HA   TYR 121           HA       TYR 121  -1.872  23.313   2.960
  745    HB2  TYR 121           HB2      TYR 121  -2.625  21.958   0.925
  746    HB3  TYR 121           HB3      TYR 121  -4.196  21.817   1.696
  747    HD1  TYR 121           HD1      TYR 121  -5.640  23.839   1.971
  748    HD2  TYR 121           HD2      TYR 121  -1.805  24.056   0.014
  749    HE1  TYR 121           HE1      TYR 121  -6.245  26.057   1.042
  750    HE2  TYR 121           HE2      TYR 121  -2.411  26.298  -0.905
  751    HH   TYR 121           HH       TYR 121  -5.531  27.867  -0.125
  752    H1   ACE   6           H1       ACE   6  20.942  -7.804  -8.448
  753    H2   ACE   6           H2       ACE   6  19.888  -8.291  -9.786
  754    H3   ACE   6           H3       ACE   6  20.018  -6.572  -9.328
  755    H    THR   7           H        THR   7  16.901  -7.760  -7.654
  756    HA   THR   7           HA       THR   7  17.876  -6.484 -10.138
  757    HB   THR   7           HB       THR   7  17.831  -8.936 -10.542
  758    HG1  THR   7           HG1      THR   7  17.087  -8.718 -12.486
  759   HG21  THR   7          HG21      THR   7  14.802  -8.754 -10.372
  760   HG22  THR   7          HG22      THR   7  15.776 -10.141 -10.880
  761   HG23  THR   7          HG23      THR   7  15.849  -9.586  -9.201
  762    H    THR   8           H        THR   8  16.562  -5.457  -7.784
  763    HA   THR   8           HA       THR   8  14.356  -4.136  -9.128
  764    HB   THR   8           HB       THR   8  13.600  -6.401  -8.059
  765    HG1  THR   8           HG1      THR   8  11.679  -4.682  -7.477
  766   HG21  THR   8          HG21      THR   8  14.244  -5.856  -5.722
  767   HG22  THR   8          HG22      THR   8  13.030  -4.559  -5.758
  768   HG23  THR   8          HG23      THR   8  12.526  -6.247  -5.943
  769    HA   PRO   9           HA       PRO   9  15.027  -0.572  -6.286
  770    HB2  PRO   9           HB2      PRO   9  12.038  -0.573  -6.637
  771    HB3  PRO   9           HB3      PRO   9  13.175   0.816  -6.661
  772    HG2  PRO   9           HG2      PRO   9  12.247  -0.159  -8.963
  773    HG3  PRO   9           HG3      PRO   9  14.010   0.167  -8.808
  774    HD2  PRO   9           HD2      PRO   9  12.544  -2.463  -8.527
  775    HD3  PRO   9           HD3      PRO   9  14.043  -2.091  -9.425
  776    H    ASP  10           H        ASP  10  13.222   0.415  -4.539
  777    HA   ASP  10           HA       ASP  10  13.259  -1.364  -2.209
  778    HB2  ASP  10           HB2      ASP  10  12.202   1.467  -2.624
  779    HB3  ASP  10           HB3      ASP  10  12.063   0.563  -1.125
  780    H2   TYS  11           H2       TYS  11  12.048  -3.050  -2.793
  781    HA   TYS  11           HA       TYS  11   9.364  -2.712  -3.970
  782    HB2  TYS  11           HB2      TYS  11  11.531  -4.824  -3.998
  783    HB3  TYS  11           HB3      TYS  11   9.938  -5.463  -3.842
  784    HD1  TYS  11           HD1      TYS  11   8.932  -6.043  -5.753
  785    HD2  TYS  11           HD2      TYS  11  11.184  -2.420  -5.628
  786    HE1  TYS  11           HE1      TYS  11   8.236  -5.564  -7.974
  787    HE2  TYS  11           HE2      TYS  11  10.312  -1.818  -7.780
  788    H    GLY  12           H        GLY  12  10.768  -4.125  -1.269
  789    HA2  GLY  12           HA2      GLY  12   8.271  -4.892   0.027
  790    HA3  GLY  12           HA3      GLY  12   9.229  -6.160  -0.717
  791    H    HIS  13           H        HIS  13   8.571  -5.009   2.260
  792    HA   HIS  13           HA       HIS  13  10.800  -6.628   3.182
  793    HB2  HIS  13           HB2      HIS  13  11.564  -5.203   4.925
  794    HB3  HIS  13           HB3      HIS  13  11.883  -4.418   3.379
  795    HD1  HIS  13           HD1      HIS  13  10.081  -2.384   2.721
  796    HD2  HIS  13           HD2      HIS  13  10.064  -3.808   6.722
  797    HE1  HIS  13           HE1      HIS  13   8.714  -0.708   4.107
  798    HE2  HIS  13           HE2      HIS  13   9.106  -1.364   6.607
  799    H2   TYS  14           H2       TYS  14  10.562  -7.371   5.315
  800    HA   TYS  14           HA       TYS  14   7.733  -7.350   6.252
  801    HB2  TYS  14           HB2      TYS  14   9.994  -9.356   6.609
  802    HB3  TYS  14           HB3      TYS  14   8.526  -9.402   7.541
  803    HD1  TYS  14           HD1      TYS  14   9.665  -9.545   3.853
  804    HD2  TYS  14           HD2      TYS  14   6.526 -10.382   6.722
  805    HE1  TYS  14           HE1      TYS  14   8.757 -11.177   2.390
  806    HE2  TYS  14           HE2      TYS  14   5.581 -11.984   5.198
  807    H    ASP  15           H        ASP  15   7.118  -6.743   8.147
  808    HA   ASP  15           HA       ASP  15   9.001  -5.822  10.191
  809    HB2  ASP  15           HB2      ASP  15   8.753  -4.005   8.289
  810    HB3  ASP  15           HB3      ASP  15   7.195  -3.705   8.970
  811    H    ASP  16           H        ASP  16   7.923  -5.154  12.089
  812    HA   ASP  16           HA       ASP  16   5.005  -5.697  12.340
  813    HB2  ASP  16           HB2      ASP  16   7.094  -7.217  13.937
  814    HB3  ASP  16           HB3      ASP  16   5.382  -7.187  14.323
  815    H    LYS  17           H        LYS  17   7.395  -3.525  12.968
  816    HA   LYS  17           HA       LYS  17   5.757  -2.419  15.221
  817    HB2  LYS  17           HB2      LYS  17   7.445  -1.546  16.244
  818    HB3  LYS  17           HB3      LYS  17   8.418  -2.734  15.410
  819    HG2  LYS  17           HG2      LYS  17   8.063   0.197  14.623
  820    HG3  LYS  17           HG3      LYS  17   9.384  -0.485  15.539
  821    HD2  LYS  17           HD2      LYS  17   8.819  -0.973  12.611
  822    HD3  LYS  17           HD3      LYS  17  10.114  -0.037  13.333
  823    HE2  LYS  17           HE2      LYS  17  10.926  -2.135  14.487
  824    HE3  LYS  17           HE3      LYS  17   9.711  -3.047  13.566
  825    HZ1  LYS  17           HZ1      LYS  17  11.883  -1.425  12.365
  826    HZ2  LYS  17           HZ2      LYS  17  10.738  -2.308  11.539
  827    HZ3  LYS  17           HZ3      LYS  17  11.864  -3.069  12.466
  828    H    ASP  18           H        ASP  18   6.846  -1.986  11.964
  829    HA   ASP  18           HA       ASP  18   5.069   0.408  11.653
  830    HB2  ASP  18           HB2      ASP  18   7.189  -0.850   9.865
  831    HB3  ASP  18           HB3      ASP  18   6.055   0.384   9.339
  832    H    THR  19           H        THR  19   3.068  -0.600  11.818
  833    HA   THR  19           HA       THR  19   2.256  -2.331   9.557
  834    HB   THR  19           HB       THR  19   2.620  -3.907  11.424
  835    HG1  THR  19           HG1      THR  19   1.148  -4.772  10.573
  836   HG21  THR  19          HG21      THR  19   0.573  -2.390  13.019
  837   HG22  THR  19          HG22      THR  19   2.327  -2.285  13.317
  838   HG23  THR  19          HG23      THR  19   1.530  -3.842  13.456
  839    H    LEU  20           H        LEU  20  -0.249  -2.527   9.657
  840    HA   LEU  20           HA       LEU  20  -1.592  -0.219  10.865
  841    HB2  LEU  20           HB2      LEU  20  -1.470   0.281   8.429
  842    HB3  LEU  20           HB3      LEU  20  -2.121  -1.320   8.071
  843    HG   LEU  20           HG       LEU  20  -4.217  -0.671   9.317
  844   HD11  LEU  20          HD11      LEU  20  -2.891   2.079   9.296
  845   HD12  LEU  20          HD12      LEU  20  -3.359   1.147  10.744
  846   HD13  LEU  20          HD13      LEU  20  -4.597   1.778   9.656
  847   HD21  LEU  20          HD21      LEU  20  -3.312   0.989   6.934
  848   HD22  LEU  20          HD22      LEU  20  -5.002   0.884   7.502
  849   HD23  LEU  20          HD23      LEU  20  -4.162  -0.569   6.966
  850    H    ASP  21           H        ASP  21  -3.003  -0.926  12.194
  851    HA   ASP  21           HA       ASP  21  -3.802  -3.719  12.453
  852    HB2  ASP  21           HB2      ASP  21  -4.604  -2.786  14.714
  853    HB3  ASP  21           HB3      ASP  21  -2.881  -2.833  14.388
  854    H    LEU  22           H        LEU  22  -5.365  -4.112  11.042
  855    HA   LEU  22           HA       LEU  22  -7.790  -2.538  10.585
  856    HB2  LEU  22           HB2      LEU  22  -6.413  -4.959   9.455
  857    HB3  LEU  22           HB3      LEU  22  -8.168  -4.953   9.322
  858    HG   LEU  22           HG       LEU  22  -8.102  -2.874   8.054
  859   HD11  LEU  22          HD11      LEU  22  -5.103  -3.100   8.513
  860   HD12  LEU  22          HD12      LEU  22  -6.171  -1.732   8.899
  861   HD13  LEU  22          HD13      LEU  22  -5.835  -2.137   7.201
  862   HD21  LEU  22          HD21      LEU  22  -7.925  -5.041   6.939
  863   HD22  LEU  22          HD22      LEU  22  -6.154  -5.031   7.135
  864   HD23  LEU  22          HD23      LEU  22  -6.932  -3.841   6.075
  865    H    ASN  23           H        ASN  23  -7.576  -3.082  13.313
  866    HA   ASN  23           HA       ASN  23  -9.983  -4.755  13.785
  867    HB2  ASN  23           HB2      ASN  23  -8.826  -6.033  15.563
  868    HB3  ASN  23           HB3      ASN  23  -8.195  -6.339  13.957
  869   HD21  ASN  23          HD21      ASN  23  -6.001  -6.193  13.716
  870   HD22  ASN  23          HD22      ASN  23  -4.981  -5.789  15.086
  871    H    THR  24           H        THR  24  -9.163  -1.759  14.230
  872    HA   THR  24           HA       THR  24 -10.606  -1.500  16.772
  873    HB   THR  24           HB       THR  24  -8.271  -1.925  17.484
  874    HG1  THR  24           HG1      THR  24  -8.096  -0.142  18.827
  875   HG21  THR  24          HG21      THR  24  -7.072  -0.880  15.613
  876   HG22  THR  24          HG22      THR  24  -6.532  -0.280  17.184
  877   HG23  THR  24          HG23      THR  24  -7.595   0.733  16.186
  878    HA   PRO  25           HA       PRO  25 -11.755   2.120  14.481
  879    HB2  PRO  25           HB2      PRO  25 -13.626   3.199  16.047
  880    HB3  PRO  25           HB3      PRO  25 -13.748   1.457  15.641
  881    HG2  PRO  25           HG2      PRO  25 -12.455   2.683  18.129
  882    HG3  PRO  25           HG3      PRO  25 -13.767   1.493  18.077
  883    HD2  PRO  25           HD2      PRO  25 -11.141   0.818  18.286
  884    HD3  PRO  25           HD3      PRO  25 -12.296  -0.222  17.396
  885    H    VAL  26           H        VAL  26 -11.803   4.355  14.273
  886    HA   VAL  26           HA       VAL  26 -11.683   6.163  16.455
  887    HB   VAL  26           HB       VAL  26  -9.314   5.781  16.393
  888   HG11  VAL  26          HG11      VAL  26  -8.968   5.198  13.984
  889   HG12  VAL  26          HG12      VAL  26  -7.848   6.438  14.554
  890   HG13  VAL  26          HG13      VAL  26  -9.232   6.898  13.548
  891   HG21  VAL  26          HG21      VAL  26  -9.911   8.556  15.285
  892   HG22  VAL  26          HG22      VAL  26  -8.535   8.074  16.292
  893   HG23  VAL  26          HG23      VAL  26 -10.166   8.039  16.968
  894    H    ASP  27           H        ASP  27 -12.831   7.941  15.900
  895    HA   ASP  27           HA       ASP  27 -13.037   8.733  13.043
  896    HB2  ASP  27           HB2      ASP  27 -15.326   7.950  14.861
  897    HB3  ASP  27           HB3      ASP  27 -15.565   8.990  13.461
  898    H    LYS  28           H        LYS  28 -12.119   9.815  15.900
  899    HA   LYS  28           HA       LYS  28 -13.237  12.547  15.632
  900    HB2  LYS  28           HB2      LYS  28 -12.892  11.473  17.912
  901    HB3  LYS  28           HB3      LYS  28 -11.160  11.489  17.605
  902    HG2  LYS  28           HG2      LYS  28 -11.667  13.388  18.971
  903    HG3  LYS  28           HG3      LYS  28 -11.299  14.013  17.361
  904    HD2  LYS  28           HD2      LYS  28 -13.779  14.162  16.911
  905    HD3  LYS  28           HD3      LYS  28 -14.081  13.613  18.570
  906    HE2  LYS  28           HE2      LYS  28 -12.998  15.606  19.472
  907    HE3  LYS  28           HE3      LYS  28 -12.430  16.068  17.862
  908    HZ1  LYS  28           HZ1      LYS  28 -15.246  15.998  18.759
  909    HZ2  LYS  28           HZ2      LYS  28 -14.374  17.337  18.373
  910    HZ3  LYS  28           HZ3      LYS  28 -14.797  16.283  17.197
  911    HN1  NH2  29           HN1      NH2  29 -10.713  13.624  13.453
  912    HN2  NH2  29           HN2      NH2  29 -12.410  13.577  13.856