*HEADER    ANTIMICROBIAL PROTEIN                   21-JUL-11   2LG6              
*TITLE     NMR STRUCTURE OF CHICKEN AVBD2-K31A MUTANT                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GALLINACIN-2;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: GAL-2, BETA-DEFENSIN 2;                                     
*COMPND   5 ENGINEERED: YES;                                                     
*COMPND   6 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: GALLUS GALLUS;                                  
*SOURCE   4 ORGANISM_COMMON: BANTAM,CHICKENS;                                    
*SOURCE   5 ORGANISM_TAXID: 9031                                                 
*KEYWDS    ANTIMICROBIAL PROTEIN                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    H.MEUDAL, C.LANDON                                                    
*REVDAT   1   25-APR-12 2LG6    0                                                


! derived from the 2D file(s):
! /home/meudal/GALLINACINES/Gall2/AvBD2-K31A-SS/Aria/avbd2-k31a-h2o-noes-020810.xpk
ASSI ( resid 9 and name HN )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 0 weight 0.11000E+01 volume 1041.74573 ppm1 9.6574030 ppm2 5.5104899
  OR ( resid 9 and name HN )
     ( resid 30 and name HA )
  OR ( resid 31 and name HN )
     ( resid 8 and name HA )
  OR ( resid 31 and name HN )
     ( resid 30 and name HA )
ASSI ( resid 9 and name HN )
     ( resid 9 and name HA )
     6.0 0.1 0.1 peak 1 weight 0.11000E+01 volume 256.15790 ppm1 9.6579914 ppm2 4.8059058
  OR ( resid 9 and name HN )
     ( resid 31 and name HA )
  OR ( resid 9 and name HN )
     ( resid 19 and name HA )
  OR ( resid 9 and name HN )
     ( resid 29 and name HA )
  OR ( resid 31 and name HN )
     ( resid 9 and name HA )
  OR ( resid 31 and name HN )
     ( resid 31 and name HA )
  OR ( resid 31 and name HN )
     ( resid 19 and name HA )
  OR ( resid 31 and name HN )
     ( resid 29 and name HA )
ASSI ( resid 9 and name HN )
     ( resid 28 and name HA )
     6.0 0.1 0.1 peak 2 weight 0.11000E+01 volume 26.34660 ppm1 9.6506739 ppm2 4.7166324
ASSI ( resid 9 and name HN )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 3 weight 0.11000E+01 volume 29.16770 ppm1 9.6622448 ppm2 4.5356679
  OR ( resid 9 and name HN )
     ( resid 17 and name HA )
  OR ( resid 31 and name HN )
     ( resid 10 and name HA )
  OR ( resid 31 and name HN )
     ( resid 17 and name HA )
ASSI ( resid 34 and name HE1 )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 4 weight 0.11000E+01 volume 4.51850 ppm1 10.1517286 ppm2 4.7276120
ASSI ( resid 34 and name HE1 )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 5 weight 0.11000E+01 volume 4.46110 ppm1 10.1503963 ppm2 4.6757312
  OR ( resid 32 and name HE1 )
     ( resid 32 and name HA )
ASSI ( resid 10 and name HN )
     ( resid 9 and name HA )
     6.0 0.1 0.1 peak 6 weight 0.11000E+01 volume 562.50018 ppm1 9.2007341 ppm2 4.7906413
ASSI ( resid 10 and name HN )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 7 weight 0.11000E+01 volume 130.28439 ppm1 9.2007828 ppm2 4.5338793
ASSI ( resid 28 and name HN )
     ( resid 22 and name HA )
     6.0 0.1 0.1 peak 8 weight 0.11000E+01 volume 8.77250 ppm1 9.0738840 ppm2 5.0592837
ASSI ( resid 22 and name HN )
     ( resid 22 and name HA )
     6.0 0.1 0.1 peak 9 weight 0.11000E+01 volume 123.84200 ppm1 8.9351063 ppm2 5.0580449
ASSI ( resid 30 and name HN )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 10 weight 0.11000E+01 volume 9.93650 ppm1 9.0157576 ppm2 4.9577122
ASSI ( resid 28 and name HN )
     ( resid 29 and name HA )
     6.0 0.1 0.1 peak 11 weight 0.11000E+01 volume 37.38450 ppm1 9.0752058 ppm2 4.8316650
ASSI ( resid 28 and name HN )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 12 weight 0.11000E+01 volume 621.75519 ppm1 9.0738840 ppm2 4.7300935
ASSI ( resid 28 and name HN )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 13 weight 0.11000E+01 volume 53.52490 ppm1 9.0748777 ppm2 4.5340905
ASSI ( resid 18 and name HN )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 14 weight 0.11000E+01 volume 335.88599 ppm1 8.9391356 ppm2 4.5367403
ASSI ( resid 22 and name HN )
     ( resid 21 and name HA1 )
     6.0 0.1 0.1 peak 15 weight 0.11000E+01 volume 640.44318 ppm1 8.9364939 ppm2 4.3531771
ASSI ( resid 30 and name HN )
     ( resid 6 and name HA1 )
     6.0 0.1 0.1 peak 16 weight 0.11000E+01 volume 9.37110 ppm1 9.0118380 ppm2 4.2160993
ASSI ( resid 18 and name HN )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 17 weight 0.11000E+01 volume 27.60740 ppm1 8.9371538 ppm2 4.6909332
ASSI ( resid 30 and name HN )
     ( resid 29 and name HA )
     6.0 0.1 0.1 peak 18 weight 0.11000E+01 volume 606.28088 ppm1 9.0157576 ppm2 4.8255463
  OR ( resid 30 and name HN )
     ( resid 31 and name HA )
  OR ( resid 30 and name HN )
     ( resid 13 and name HA )
ASSI ( resid 18 and name HN )
     ( resid 31 and name HA )
     6.0 0.1 0.1 peak 19 weight 0.11000E+01 volume 58.36680 ppm1 8.9399900 ppm2 4.8312387
ASSI ( resid 2 and name HN )
     ( resid 2 and name HA )
     6.0 0.1 0.1 peak 20 weight 0.11000E+01 volume 425.39401 ppm1 8.8885975 ppm2 4.8437452
ASSI ( resid 2 and name HN )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 21 weight 0.11000E+01 volume 3.36610 ppm1 8.8892241 ppm2 4.9600668
ASSI ( resid 5 and name HN )
     ( resid 6 and name HA1 )
     6.0 0.1 0.1 peak 22 weight 0.11000E+01 volume 11.40100 ppm1 8.7769032 ppm2 4.2121735
ASSI ( resid 13 and name HN )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 23 weight 0.11000E+01 volume 13.84750 ppm1 8.5874310 ppm2 4.3999987
ASSI ( resid 22 and name HN )
     ( resid 21 and name HA2 )
     6.0 0.1 0.1 peak 24 weight 0.11000E+01 volume 372.25549 ppm1 8.9362555 ppm2 4.0518279
ASSI ( resid 2 and name HN )
     ( resid 1 and name HA )
     6.0 0.1 0.1 peak 25 weight 0.11000E+01 volume 394.71750 ppm1 8.8882904 ppm2 3.9494915
ASSI ( resid 22 and name HN )
     ( resid 22 and name HB1 )
     6.0 0.1 0.1 peak 26 weight 0.11000E+01 volume 164.38721 ppm1 8.9353790 ppm2 3.9069731
ASSI ( resid 30 and name HN )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 27 weight 0.11000E+01 volume 10.36830 ppm1 9.0127506 ppm2 3.9038496
  OR ( resid 30 and name HN )
     ( resid 22 and name HB1 )
  OR ( resid 30 and name HN )
     ( resid 7 and name HB1 )
  OR ( resid 30 and name HN )
     ( resid 5 and name HA2 )
  OR ( resid 30 and name HN )
     ( resid 1 and name HA )
ASSI ( resid 28 and name HN )
     ( resid 12 and name HA2 )
     6.0 0.1 0.1 peak 28 weight 0.11000E+01 volume 6.06950 ppm1 9.0748081 ppm2 3.9612272
ASSI ( resid 30 and name HN )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 29 weight 0.11000E+01 volume 40.68430 ppm1 9.0154867 ppm2 3.8060443
  OR ( resid 30 and name HN )
     ( resid 6 and name HA2 )
ASSI ( resid 22 and name HN )
     ( resid 22 and name HB2 )
     6.0 0.1 0.1 peak 30 weight 0.11000E+01 volume 184.07091 ppm1 8.9356194 ppm2 3.7849729
ASSI ( resid 28 and name HN )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 31 weight 0.11000E+01 volume 331.24411 ppm1 9.0750265 ppm2 3.6588585
  OR ( resid 28 and name HN )
     ( resid 28 and name HB1 )
ASSI ( resid 30 and name HN )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 32 weight 0.11000E+01 volume 19.42960 ppm1 9.0164070 ppm2 3.6668971
  OR ( resid 30 and name HN )
     ( resid 28 and name HB1 )
ASSI ( resid 5 and name HN )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 33 weight 0.11000E+01 volume 798.98138 ppm1 8.7736959 ppm2 4.0780578
  OR ( resid 5 and name HN )
     ( resid 21 and name HA2 )
  OR ( resid 20 and name HN )
     ( resid 4 and name HA )
  OR ( resid 20 and name HN )
     ( resid 21 and name HA2 )
ASSI ( resid 5 and name HN )
     ( resid 5 and name HA1 )
     6.0 0.1 0.1 peak 34 weight 0.11000E+01 volume 293.34009 ppm1 8.7736807 ppm2 4.0128856
ASSI ( resid 9 and name HE1 )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 35 weight 0.11000E+01 volume 9.66770 ppm1 8.6485939 ppm2 3.9054284
ASSI ( resid 28 and name HN )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 36 weight 0.11000E+01 volume 33.76620 ppm1 9.0749273 ppm2 5.5067286
ASSI ( resid 30 and name HN )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 37 weight 0.11000E+01 volume 210.21300 ppm1 9.0124235 ppm2 5.5109053
  OR ( resid 30 and name HN )
     ( resid 8 and name HA )
ASSI ( resid 18 and name HN )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 38 weight 0.11000E+01 volume 27.41430 ppm1 8.9360914 ppm2 5.5192580
ASSI ( resid 10 and name HN )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 39 weight 0.11000E+01 volume 3.08950 ppm1 9.1993809 ppm2 5.5056849
ASSI ( resid 20 and name HN )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 40 weight 0.11000E+01 volume 117.14000 ppm1 8.7534103 ppm2 5.5205750
ASSI ( resid 29 and name HN )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 41 weight 0.11000E+01 volume 29.63420 ppm1 8.6691017 ppm2 5.5105686
  OR ( resid 29 and name HN )
     ( resid 8 and name HA )
ASSI ( resid 7 and name HN )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 42 weight 0.11000E+01 volume 26.60280 ppm1 8.5591364 ppm2 5.5105686
  OR ( resid 7 and name HN )
     ( resid 30 and name HA )
ASSI ( resid 8 and name HN )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 43 weight 0.11000E+01 volume 133.38840 ppm1 8.7041769 ppm2 5.5050111
ASSI ( resid 29 and name HN )
     ( resid 22 and name HA )
     6.0 0.1 0.1 peak 44 weight 0.11000E+01 volume 226.75980 ppm1 8.6694832 ppm2 5.0576739
ASSI ( resid 8 and name HN )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 45 weight 0.11000E+01 volume 593.12079 ppm1 8.7026443 ppm2 4.9604068
ASSI ( resid 7 and name HN )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 46 weight 0.11000E+01 volume 132.72231 ppm1 8.5595369 ppm2 4.9611497
ASSI ( resid 20 and name HN )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 47 weight 0.11000E+01 volume 517.79932 ppm1 8.7590904 ppm2 4.8042822
  OR ( resid 20 and name HN )
     ( resid 29 and name HA )
ASSI ( resid 29 and name HN )
     ( resid 29 and name HA )
     6.0 0.1 0.1 peak 48 weight 0.11000E+01 volume 167.61720 ppm1 8.6740103 ppm2 4.8123546
  OR ( resid 29 and name HN )
     ( resid 19 and name HA )
ASSI ( resid 19 and name HN )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 49 weight 0.11000E+01 volume 383.26831 ppm1 8.7284861 ppm2 4.8020592
ASSI ( resid 11 and name HN )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 50 weight 0.11000E+01 volume 128.32870 ppm1 8.5895758 ppm2 4.7291436
ASSI ( resid 20 and name HN )
     ( resid 20 and name HA )
     6.0 0.1 0.1 peak 51 weight 0.11000E+01 volume 132.18800 ppm1 8.7518244 ppm2 4.5803914
ASSI ( resid 19 and name HN )
     ( resid 18 and name HA )
     6.0 0.1 0.1 peak 52 weight 0.11000E+01 volume 798.74768 ppm1 8.7268724 ppm2 4.3831844
ASSI ( resid 11 and name HN )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 53 weight 0.11000E+01 volume 626.82349 ppm1 8.5896502 ppm2 4.5338221
ASSI ( resid 4 and name HN )
     ( resid 3 and name HA )
     6.0 0.1 0.1 peak 54 weight 0.11000E+01 volume 392.61249 ppm1 8.5279179 ppm2 4.6075869
ASSI ( resid 13 and name HN )
     ( resid 13 and name HA )
     6.0 0.1 0.1 peak 55 weight 0.11000E+01 volume 181.42661 ppm1 8.5533428 ppm2 4.8330460
  OR ( resid 13 and name HN )
     ( resid 2 and name HA )
  OR ( resid 13 and name HN )
     ( resid 31 and name HA )
  OR ( resid 13 and name HN )
     ( resid 29 and name HA )
  OR ( resid 7 and name HN )
     ( resid 13 and name HA )
  OR ( resid 7 and name HN )
     ( resid 2 and name HA )
  OR ( resid 7 and name HN )
     ( resid 31 and name HA )
  OR ( resid 7 and name HN )
     ( resid 29 and name HA )
ASSI ( resid 29 and name HN )
     ( resid 28 and name HA )
     6.0 0.1 0.1 peak 56 weight 0.11000E+01 volume 611.93372 ppm1 8.6706924 ppm2 4.7159367
ASSI ( resid 3 and name HN )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 57 weight 0.11000E+01 volume 67.85480 ppm1 8.4279118 ppm2 4.9626408
ASSI ( resid 3 and name HN )
     ( resid 2 and name HA )
     6.0 0.1 0.1 peak 58 weight 0.11000E+01 volume 764.50128 ppm1 8.4363699 ppm2 4.8319569
  OR ( resid 3 and name HN )
     ( resid 31 and name HA )
  OR ( resid 32 and name HN )
     ( resid 2 and name HA )
  OR ( resid 32 and name HN )
     ( resid 31 and name HA )
ASSI ( resid 32 and name HN )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 59 weight 0.11000E+01 volume 147.11771 ppm1 8.4444160 ppm2 4.6758342
ASSI ( resid 3 and name HN )
     ( resid 3 and name HA )
     6.0 0.1 0.1 peak 60 weight 0.11000E+01 volume 322.43320 ppm1 8.4278307 ppm2 4.6071005
ASSI ( resid 15 and name HN )
     ( resid 13 and name HA )
     6.0 0.1 0.1 peak 61 weight 0.11000E+01 volume 97.26680 ppm1 8.3470650 ppm2 4.8494711
ASSI ( resid 26 and name HN )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 62 weight 0.11000E+01 volume 21.10890 ppm1 8.3157644 ppm2 4.7302208
  OR ( resid 25 and name HN )
     ( resid 27 and name HA )
ASSI ( resid 16 and name HE1 )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 63 weight 0.11000E+01 volume 7.71960 ppm1 8.5015526 ppm2 4.4460802
ASSI ( resid 13 and name HN )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 64 weight 0.11000E+01 volume 6.16030 ppm1 8.5485144 ppm2 4.4344387
ASSI ( resid 16 and name HE1 )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 65 weight 0.11000E+01 volume 12.80930 ppm1 8.4952440 ppm2 4.3007793
ASSI ( resid 3 and name HN )
     ( resid 6 and name HA1 )
     6.0 0.1 0.1 peak 66 weight 0.11000E+01 volume 35.98630 ppm1 8.4409447 ppm2 4.2196217
  OR ( resid 32 and name HN )
     ( resid 6 and name HA1 )
ASSI ( resid 15 and name HN )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 67 weight 0.11000E+01 volume 920.52911 ppm1 8.3448582 ppm2 4.4325547
  OR ( resid 16 and name HN )
     ( resid 14 and name HA )
ASSI ( resid 26 and name HN )
     ( resid 26 and name HA )
     6.0 0.1 0.1 peak 68 weight 0.11000E+01 volume 532.99048 ppm1 8.3173685 ppm2 4.4623199
  OR ( resid 25 and name HN )
     ( resid 26 and name HA )
ASSI ( resid 16 and name HN )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 69 weight 0.11000E+01 volume 549.28650 ppm1 8.3449125 ppm2 4.3055272
  OR ( resid 15 and name HN )
     ( resid 16 and name HA )
ASSI ( resid 25 and name HN )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 70 weight 0.11000E+01 volume 693.67133 ppm1 8.3073912 ppm2 4.2715025
  OR ( resid 26 and name HN )
     ( resid 24 and name HA )
ASSI ( resid 24 and name HN )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 71 weight 0.11000E+01 volume 293.94699 ppm1 8.2367153 ppm2 4.2721815
ASSI ( resid 7 and name HN )
     ( resid 6 and name HA1 )
     6.0 0.1 0.1 peak 72 weight 0.11000E+01 volume 289.29568 ppm1 8.5604048 ppm2 4.2129002
ASSI ( resid 4 and name HN )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 73 weight 0.11000E+01 volume 217.29390 ppm1 8.5280991 ppm2 4.0787058
ASSI ( resid 29 and name HN )
     ( resid 21 and name HA2 )
     6.0 0.1 0.1 peak 74 weight 0.11000E+01 volume 19.09920 ppm1 8.6721630 ppm2 4.0502920
ASSI ( resid 8 and name HN )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 75 weight 0.11000E+01 volume 157.73061 ppm1 8.7025280 ppm2 3.9045014
ASSI ( resid 8 and name HN )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 76 weight 0.11000E+01 volume 175.84650 ppm1 8.7026711 ppm2 3.7823570
ASSI ( resid 29 and name HN )
     ( resid 22 and name HB1 )
     6.0 0.1 0.1 peak 77 weight 0.11000E+01 volume 24.52180 ppm1 8.6710405 ppm2 3.9103124
ASSI ( resid 9 and name HE1 )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 78 weight 0.11000E+01 volume 16.73760 ppm1 8.6465530 ppm2 3.7882175
ASSI ( resid 7 and name HN )
     ( resid 6 and name HA2 )
     6.0 0.1 0.1 peak 79 weight 0.11000E+01 volume 554.89148 ppm1 8.5597916 ppm2 3.8021727
  OR ( resid 7 and name HN )
     ( resid 7 and name HB2 )
ASSI ( resid 11 and name HN )
     ( resid 11 and name HA1 )
     6.0 0.1 0.1 peak 80 weight 0.11000E+01 volume 306.24100 ppm1 8.5897465 ppm2 3.9900546
ASSI ( resid 13 and name HN )
     ( resid 12 and name HA1 )
     6.0 0.1 0.1 peak 81 weight 0.11000E+01 volume 876.22412 ppm1 8.5486012 ppm2 3.9454756
  OR ( resid 13 and name HN )
     ( resid 12 and name HA2 )
ASSI ( resid 32 and name HN )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 82 weight 0.11000E+01 volume 48.40070 ppm1 8.4356556 ppm2 3.8878927
  OR ( resid 32 and name HN )
     ( resid 5 and name HA2 )
  OR ( resid 3 and name HN )
     ( resid 33 and name HD1 )
  OR ( resid 3 and name HN )
     ( resid 5 and name HA2 )
ASSI ( resid 3 and name HN )
     ( resid 6 and name HA2 )
     6.0 0.1 0.1 peak 83 weight 0.11000E+01 volume 46.27040 ppm1 8.4359541 ppm2 3.7992980
  OR ( resid 32 and name HN )
     ( resid 6 and name HA2 )
ASSI ( resid 5 and name HN )
     ( resid 5 and name HA2 )
     6.0 0.1 0.1 peak 84 weight 0.11000E+01 volume 398.71729 ppm1 8.7729940 ppm2 3.8797522
ASSI ( resid 15 and name HN )
     ( resid 15 and name HA )
     6.0 0.1 0.1 peak 85 weight 0.11000E+01 volume 821.35468 ppm1 8.3452110 ppm2 3.9672000
  OR ( resid 15 and name HN )
     ( resid 12 and name HA1 )
  OR ( resid 16 and name HN )
     ( resid 15 and name HA )
  OR ( resid 16 and name HN )
     ( resid 12 and name HA1 )
ASSI ( resid 25 and name HN )
     ( resid 25 and name HA1 )
     6.0 0.1 0.1 peak 86 weight 0.11000E+01 volume 642.19812 ppm1 8.3113089 ppm2 3.7571294
  OR ( resid 26 and name HN )
     ( resid 25 and name HA1 )
ASSI ( resid 15 and name HN )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 87 weight 0.11000E+01 volume 620.60461 ppm1 8.3449030 ppm2 3.6874127
  OR ( resid 15 and name HN )
     ( resid 15 and name HB1 )
  OR ( resid 16 and name HN )
     ( resid 15 and name HB2 )
  OR ( resid 16 and name HN )
     ( resid 15 and name HB1 )
ASSI ( resid 24 and name HN )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 88 weight 0.11000E+01 volume 284.16080 ppm1 8.2373724 ppm2 4.8617091
ASSI ( resid 23 and name HN )
     ( resid 22 and name HA )
     6.0 0.1 0.1 peak 89 weight 0.11000E+01 volume 540.78070 ppm1 8.0150957 ppm2 5.0566678
ASSI ( resid 23 and name HN )
     ( resid 23 and name HA )
     6.0 0.1 0.1 peak 90 weight 0.11000E+01 volume 95.42330 ppm1 8.0140791 ppm2 4.8676391
ASSI ( resid 35 and name HN )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 91 weight 0.11000E+01 volume 240.49899 ppm1 8.0479879 ppm2 4.7894063
ASSI ( resid 35 and name HN )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 92 weight 0.11000E+01 volume 305.96960 ppm1 8.0493298 ppm2 4.7287235
ASSI ( resid 23 and name HN )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 93 weight 0.11000E+01 volume 143.90230 ppm1 8.0144243 ppm2 4.7196860
  OR ( resid 23 and name HN )
     ( resid 28 and name HA )
ASSI ( resid 12 and name HN )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 94 weight 0.11000E+01 volume 21.15290 ppm1 7.9987659 ppm2 4.5339131
ASSI ( resid 23 and name HN )
     ( resid 26 and name HA )
     6.0 0.1 0.1 peak 95 weight 0.11000E+01 volume 12.48410 ppm1 8.0157661 ppm2 4.4601712
ASSI ( resid 35 and name HN )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 96 weight 0.11000E+01 volume 40.32910 ppm1 8.0505180 ppm2 4.2559223
ASSI ( resid 35 and name HN )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 97 weight 0.11000E+01 volume 10.56320 ppm1 8.0506725 ppm2 4.1000614
ASSI ( resid 12 and name HN )
     ( resid 12 and name HA2 )
     6.0 0.1 0.1 peak 98 weight 0.11000E+01 volume 1054.48242 ppm1 7.9989848 ppm2 3.9580386
  OR ( resid 12 and name HN )
     ( resid 12 and name HA1 )
ASSI ( resid 23 and name HN )
     ( resid 22 and name HB2 )
     6.0 0.1 0.1 peak 99 weight 0.11000E+01 volume 161.66949 ppm1 8.0136290 ppm2 3.7868187
ASSI ( resid 12 and name HN )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 100 weight 0.11000E+01 volume 37.25310 ppm1 8.0004930 ppm2 3.6597481
  OR ( resid 12 and name HN )
     ( resid 28 and name HB1 )
ASSI ( resid 21 and name HN )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 101 weight 0.11000E+01 volume 19.65540 ppm1 7.5430188 ppm2 5.5175409
ASSI ( resid 21 and name HN )
     ( resid 22 and name HA )
     6.0 0.1 0.1 peak 102 weight 0.11000E+01 volume 9.84700 ppm1 7.5416765 ppm2 5.0591936
ASSI ( resid 6 and name HN )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 103 weight 0.11000E+01 volume 5.08230 ppm1 7.6262565 ppm2 4.9623599
ASSI ( resid 36 and name HN )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 104 weight 0.11000E+01 volume 219.96980 ppm1 7.6390109 ppm2 4.7906976
  OR ( resid 34 and name HE3 )
     ( resid 35 and name HA )
ASSI ( resid 34 and name HE3 )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 105 weight 0.11000E+01 volume 109.99640 ppm1 7.6289415 ppm2 4.7313061
  OR ( resid 36 and name HN )
     ( resid 34 and name HA )
ASSI ( resid 6 and name HN )
     ( resid 3 and name HA )
     6.0 0.1 0.1 peak 106 weight 0.11000E+01 volume 11.74320 ppm1 7.6225381 ppm2 4.6054664
ASSI ( resid 17 and name HN )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 107 weight 0.11000E+01 volume 172.97890 ppm1 7.7121792 ppm2 4.5350561
ASSI ( resid 17 and name HN )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 108 weight 0.11000E+01 volume 9.15180 ppm1 7.7135930 ppm2 4.4261684
ASSI ( resid 32 and name HE3 )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 109 weight 0.11000E+01 volume 51.49550 ppm1 7.5447264 ppm2 4.5381212
ASSI ( resid 32 and name HE3 )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 110 weight 0.11000E+01 volume 222.44170 ppm1 7.5459833 ppm2 4.6798744
ASSI ( resid 21 and name HN )
     ( resid 20 and name HA )
     6.0 0.1 0.1 peak 111 weight 0.11000E+01 volume 133.63960 ppm1 7.5441279 ppm2 4.5771923
ASSI ( resid 17 and name HN )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 112 weight 0.11000E+01 volume 113.49690 ppm1 7.7131138 ppm2 4.3047767
ASSI ( resid 21 and name HN )
     ( resid 21 and name HA1 )
     6.0 0.1 0.1 peak 113 weight 0.11000E+01 volume 171.42661 ppm1 7.5422134 ppm2 4.3444200
ASSI ( resid 6 and name HN )
     ( resid 6 and name HA1 )
     6.0 0.1 0.1 peak 114 weight 0.11000E+01 volume 235.42900 ppm1 7.6245222 ppm2 4.2170820
ASSI ( resid 36 and name HN )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 115 weight 0.11000E+01 volume 169.67619 ppm1 7.6393437 ppm2 4.0952787
ASSI ( resid 6 and name HN )
     ( resid 5 and name HA1 )
     6.0 0.1 0.1 peak 116 weight 0.11000E+01 volume 125.02220 ppm1 7.6224012 ppm2 4.0145121
ASSI ( resid 21 and name HN )
     ( resid 21 and name HA2 )
     6.0 0.1 0.1 peak 117 weight 0.11000E+01 volume 204.36951 ppm1 7.5442710 ppm2 4.0524859
ASSI ( resid 17 and name HN )
     ( resid 15 and name HA )
     6.0 0.1 0.1 peak 118 weight 0.11000E+01 volume 63.00380 ppm1 7.7108312 ppm2 3.9657605
ASSI ( resid 17 and name HN )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 119 weight 0.11000E+01 volume 5.06470 ppm1 7.7114706 ppm2 3.8796508
ASSI ( resid 17 and name HN )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 120 weight 0.11000E+01 volume 22.22430 ppm1 7.7132587 ppm2 3.6862526
  OR ( resid 17 and name HN )
     ( resid 15 and name HB1 )
ASSI ( resid 6 and name HN )
     ( resid 5 and name HA2 )
     6.0 0.1 0.1 peak 121 weight 0.11000E+01 volume 165.80750 ppm1 7.6226826 ppm2 3.8870366
ASSI ( resid 6 and name HN )
     ( resid 6 and name HA2 )
     6.0 0.1 0.1 peak 122 weight 0.11000E+01 volume 246.91251 ppm1 7.6232324 ppm2 3.8069570
ASSI ( resid 32 and name HE3 )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 123 weight 0.11000E+01 volume 122.50030 ppm1 7.5458875 ppm2 3.8810043
ASSI ( resid 21 and name HN )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 124 weight 0.11000E+01 volume 14.82380 ppm1 7.5444598 ppm2 3.6624036
  OR ( resid 21 and name HN )
     ( resid 28 and name HB2 )
ASSI ( resid 17 and name HN )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 125 weight 0.11000E+01 volume 43.40680 ppm1 7.7120986 ppm2 3.4841423
ASSI ( resid 17 and name HN )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 126 weight 0.11000E+01 volume 32.62450 ppm1 7.7120504 ppm2 3.2695587
ASSI ( resid 17 and name HN )
     ( resid 14 and name HD1 )
     6.0 0.1 0.1 peak 127 weight 0.11000E+01 volume 3.92060 ppm1 7.7097883 ppm2 3.1187472
ASSI ( resid 34 and name HE3 )
     ( resid 34 and name HB2 )
     6.0 0.1 0.1 peak 128 weight 0.11000E+01 volume 440.74100 ppm1 7.6270432 ppm2 3.3201625
  OR ( resid 34 and name HE3 )
     ( resid 34 and name HB1 )
  OR ( resid 36 and name HN )
     ( resid 34 and name HB2 )
  OR ( resid 36 and name HN )
     ( resid 34 and name HB1 )
  OR ( resid 35 and name HD21 )
     ( resid 34 and name HB2 )
  OR ( resid 35 and name HD21 )
     ( resid 34 and name HB1 )
ASSI ( resid 32 and name HE3 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 129 weight 0.11000E+01 volume 10.33970 ppm1 7.5468850 ppm2 3.4830983
ASSI ( resid 32 and name HE3 )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 130 weight 0.11000E+01 volume 182.07990 ppm1 7.5460267 ppm2 3.3802164
  OR ( resid 32 and name HE3 )
     ( resid 3 and name HB1 )
  OR ( resid 21 and name HN )
     ( resid 33 and name HD2 )
  OR ( resid 21 and name HN )
     ( resid 3 and name HB1 )
ASSI ( resid 32 and name HE3 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 131 weight 0.11000E+01 volume 29.40930 ppm1 7.5489321 ppm2 3.2710228
ASSI ( resid 32 and name HZ2 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 132 weight 0.11000E+01 volume 4.64850 ppm1 7.4968677 ppm2 3.4887455
ASSI ( resid 32 and name HZ2 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 133 weight 0.11000E+01 volume 23.25790 ppm1 7.4998832 ppm2 3.2898886
ASSI ( resid 17 and name HN )
     ( resid 14 and name HD2 )
     6.0 0.1 0.1 peak 134 weight 0.11000E+01 volume 13.71970 ppm1 7.7116680 ppm2 2.8723083
ASSI ( resid 6 and name HN )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 135 weight 0.11000E+01 volume 5.91550 ppm1 7.6222596 ppm2 2.8455577
ASSI ( resid 21 and name HN )
     ( resid 19 and name HE2 )
     6.0 0.1 0.1 peak 136 weight 0.11000E+01 volume 51.20870 ppm1 7.5439539 ppm2 2.9162998
  OR ( resid 21 and name HN )
     ( resid 19 and name HE1 )
ASSI ( resid 2 and name HE1 )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 137 weight 0.11000E+01 volume 13.70410 ppm1 7.3979220 ppm2 4.9596767
ASSI ( resid 2 and name HD1 )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 138 weight 0.11000E+01 volume 51.48910 ppm1 7.3559217 ppm2 4.9635839
ASSI ( resid 2 and name HD1 )
     ( resid 2 and name HA )
     6.0 0.1 0.1 peak 139 weight 0.11000E+01 volume 144.35899 ppm1 7.3564534 ppm2 4.8268375
  OR ( resid 2 and name HD2 )
     ( resid 2 and name HA )
ASSI ( resid 34 and name HN )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 140 weight 0.11000E+01 volume 14.48360 ppm1 7.2995672 ppm2 4.7936277
  OR ( resid 34 and name HN )
     ( resid 9 and name HA )
  OR ( resid 10 and name HD1 )
     ( resid 35 and name HA )
  OR ( resid 10 and name HD1 )
     ( resid 9 and name HA )
ASSI ( resid 34 and name HN )
     ( resid 34 and name HA )
     6.0 0.1 0.1 peak 141 weight 0.11000E+01 volume 232.60741 ppm1 7.3013744 ppm2 4.7318382
  OR ( resid 34 and name HN )
     ( resid 27 and name HA )
  OR ( resid 26 and name HE2 )
     ( resid 34 and name HA )
  OR ( resid 26 and name HE2 )
     ( resid 27 and name HA )
  OR ( resid 10 and name HD1 )
     ( resid 34 and name HA )
  OR ( resid 10 and name HD1 )
     ( resid 27 and name HA )
ASSI ( resid 34 and name HN )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 142 weight 0.11000E+01 volume 5.02360 ppm1 7.2997766 ppm2 4.6678615
ASSI ( resid 2 and name HD1 )
     ( resid 3 and name HA )
     6.0 0.1 0.1 peak 143 weight 0.11000E+01 volume 28.27140 ppm1 7.3547134 ppm2 4.6060224
  OR ( resid 2 and name HD2 )
     ( resid 3 and name HA )
ASSI ( resid 2 and name HE1 )
     ( resid 3 and name HA )
     6.0 0.1 0.1 peak 144 weight 0.11000E+01 volume 7.06100 ppm1 7.3996620 ppm2 4.6023850
  OR ( resid 2 and name HZ )
     ( resid 3 and name HA )
  OR ( resid 2 and name HE2 )
     ( resid 3 and name HA )
ASSI ( resid 10 and name HE1 )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 145 weight 0.11000E+01 volume 29.43790 ppm1 7.4478097 ppm2 4.5338297
ASSI ( resid 10 and name HZ )
     ( resid 26 and name HA )
     6.0 0.1 0.1 peak 146 weight 0.11000E+01 volume 21.96760 ppm1 7.3686976 ppm2 4.4632473
ASSI ( resid 10 and name HD1 )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 147 weight 0.11000E+01 volume 237.47490 ppm1 7.2992773 ppm2 4.5341802
  OR ( resid 10 and name HD1 )
     ( resid 17 and name HA )
  OR ( resid 10 and name HD2 )
     ( resid 10 and name HA )
  OR ( resid 10 and name HD2 )
     ( resid 17 and name HA )
  OR ( resid 34 and name HN )
     ( resid 10 and name HA )
  OR ( resid 34 and name HN )
     ( resid 17 and name HA )
ASSI ( resid 26 and name HE1 )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 148 weight 0.11000E+01 volume 29.13930 ppm1 7.3534493 ppm2 4.2694497
ASSI ( resid 21 and name HN )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 149 weight 0.11000E+01 volume 404.59250 ppm1 7.5439925 ppm2 4.8053699
  OR ( resid 21 and name HN )
     ( resid 29 and name HA )
ASSI ( resid 34 and name HN )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 150 weight 0.11000E+01 volume 360.27731 ppm1 7.3006043 ppm2 4.2548337
ASSI ( resid 2 and name HE1 )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 151 weight 0.11000E+01 volume 20.76760 ppm1 7.4015751 ppm2 4.0773215
  OR ( resid 2 and name HE2 )
     ( resid 4 and name HA )
  OR ( resid 2 and name HZ )
     ( resid 4 and name HA )
ASSI ( resid 2 and name HD1 )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 152 weight 0.11000E+01 volume 33.16340 ppm1 7.3603659 ppm2 4.0786176
  OR ( resid 2 and name HD2 )
     ( resid 4 and name HA )
ASSI ( resid 2 and name HD1 )
     ( resid 1 and name HA )
     6.0 0.1 0.1 peak 153 weight 0.11000E+01 volume 28.00770 ppm1 7.3589993 ppm2 3.9562426
ASSI ( resid 10 and name HE1 )
     ( resid 11 and name HA1 )
     6.0 0.1 0.1 peak 154 weight 0.11000E+01 volume 13.09250 ppm1 7.4505711 ppm2 3.9806614
ASSI ( resid 10 and name HD1 )
     ( resid 11 and name HA1 )
     6.0 0.1 0.1 peak 155 weight 0.11000E+01 volume 31.89690 ppm1 7.3010654 ppm2 3.9873977
ASSI ( resid 2 and name HD1 )
     ( resid 5 and name HA1 )
     6.0 0.1 0.1 peak 156 weight 0.11000E+01 volume 13.47420 ppm1 7.3589993 ppm2 4.0092907
ASSI ( resid 2 and name HD1 )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 157 weight 0.11000E+01 volume 18.28990 ppm1 7.4006219 ppm2 3.9090571
  OR ( resid 2 and name HE1 )
     ( resid 7 and name HB1 )
ASSI ( resid 2 and name HD1 )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 158 weight 0.11000E+01 volume 58.75010 ppm1 7.3605132 ppm2 3.8980072
ASSI ( resid 34 and name HN )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 159 weight 0.11000E+01 volume 20.84250 ppm1 7.3004856 ppm2 3.8832884
ASSI ( resid 2 and name HZ )
     ( resid 6 and name HA2 )
     6.0 0.1 0.1 peak 160 weight 0.11000E+01 volume 6.78190 ppm1 7.4007535 ppm2 3.7919040
ASSI ( resid 2 and name HD1 )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 161 weight 0.11000E+01 volume 40.75900 ppm1 7.3596435 ppm2 3.7778211
ASSI ( resid 10 and name HE1 )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 162 weight 0.11000E+01 volume 10.47590 ppm1 7.4430227 ppm2 3.6590908
  OR ( resid 10 and name HE1 )
     ( resid 28 and name HB2 )
ASSI ( resid 10 and name HE1 )
     ( resid 11 and name HA2 )
     6.0 0.1 0.1 peak 163 weight 0.11000E+01 volume 8.52310 ppm1 7.4492450 ppm2 3.4363484
ASSI ( resid 10 and name HE1 )
     ( resid 26 and name HB1 )
     6.0 0.1 0.1 peak 164 weight 0.11000E+01 volume 39.11200 ppm1 7.4484878 ppm2 3.3405588
ASSI ( resid 10 and name HE1 )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 165 weight 0.11000E+01 volume 40.90170 ppm1 7.4493423 ppm2 3.2133238
ASSI ( resid 10 and name HE2 )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 166 weight 0.11000E+01 volume 26.76980 ppm1 7.4495158 ppm2 3.1277657
  OR ( resid 10 and name HE1 )
     ( resid 10 and name HB1 )
ASSI ( resid 10 and name HE2 )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 167 weight 0.11000E+01 volume 24.80140 ppm1 7.4498463 ppm2 3.0268846
  OR ( resid 10 and name HE1 )
     ( resid 10 and name HB2 )
ASSI ( resid 2 and name HE1 )
     ( resid 2 and name HB2 )
     6.0 0.1 0.1 peak 168 weight 0.11000E+01 volume 44.46520 ppm1 7.4016757 ppm2 3.0911372
  OR ( resid 2 and name HE2 )
     ( resid 2 and name HB2 )
ASSI ( resid 2 and name HE2 )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 169 weight 0.11000E+01 volume 44.44490 ppm1 7.3990817 ppm2 3.2408733
ASSI ( resid 26 and name HE1 )
     ( resid 25 and name HA2 )
     6.0 0.1 0.1 peak 170 weight 0.11000E+01 volume 31.56050 ppm1 7.3642511 ppm2 3.4011738
ASSI ( resid 26 and name HE1 )
     ( resid 26 and name HB1 )
     6.0 0.1 0.1 peak 171 weight 0.11000E+01 volume 56.66830 ppm1 7.3679328 ppm2 3.3424795
  OR ( resid 10 and name HZ )
     ( resid 26 and name HB1 )
ASSI ( resid 10 and name HD1 )
     ( resid 11 and name HA2 )
     6.0 0.1 0.1 peak 172 weight 0.11000E+01 volume 33.55440 ppm1 7.3036432 ppm2 3.4333956
ASSI ( resid 34 and name HN )
     ( resid 34 and name HB1 )
     6.0 0.1 0.1 peak 173 weight 0.11000E+01 volume 359.75211 ppm1 7.3007183 ppm2 3.3206208
  OR ( resid 34 and name HN )
     ( resid 34 and name HB2 )
  OR ( resid 34 and name HN )
     ( resid 9 and name HB1 )
  OR ( resid 10 and name HD1 )
     ( resid 34 and name HB1 )
  OR ( resid 10 and name HD1 )
     ( resid 34 and name HB2 )
  OR ( resid 10 and name HD1 )
     ( resid 9 and name HB1 )
ASSI ( resid 2 and name HD2 )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 174 weight 0.11000E+01 volume 293.48819 ppm1 7.3586926 ppm2 3.2382236
  OR ( resid 2 and name HD1 )
     ( resid 2 and name HB1 )
ASSI ( resid 10 and name HD1 )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 175 weight 0.11000E+01 volume 17.20020 ppm1 7.3038902 ppm2 3.2155111
ASSI ( resid 10 and name HD2 )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 176 weight 0.11000E+01 volume 289.12289 ppm1 7.2996855 ppm2 3.1315100
  OR ( resid 10 and name HD1 )
     ( resid 10 and name HB1 )
ASSI ( resid 2 and name HD1 )
     ( resid 2 and name HB2 )
     6.0 0.1 0.1 peak 177 weight 0.11000E+01 volume 325.70432 ppm1 7.3568401 ppm2 3.0917997
  OR ( resid 2 and name HD1 )
     ( resid 24 and name HB1 )
  OR ( resid 2 and name HD2 )
     ( resid 2 and name HB2 )
  OR ( resid 2 and name HD2 )
     ( resid 24 and name HB1 )
  OR ( resid 26 and name HE1 )
     ( resid 2 and name HB2 )
  OR ( resid 26 and name HE1 )
     ( resid 24 and name HB1 )
ASSI ( resid 2 and name HD2 )
     ( resid 4 and name HE1 )
     6.0 0.1 0.1 peak 178 weight 0.11000E+01 volume 41.74670 ppm1 7.3551264 ppm2 2.9944770
  OR ( resid 2 and name HD2 )
     ( resid 4 and name HE2 )
  OR ( resid 2 and name HD2 )
     ( resid 24 and name HB2 )
  OR ( resid 26 and name HE1 )
     ( resid 4 and name HE1 )
  OR ( resid 26 and name HE1 )
     ( resid 4 and name HE2 )
  OR ( resid 26 and name HE1 )
     ( resid 24 and name HB2 )
ASSI ( resid 10 and name HD2 )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 179 weight 0.11000E+01 volume 286.23431 ppm1 7.2996206 ppm2 3.0196879
  OR ( resid 10 and name HD1 )
     ( resid 10 and name HB2 )
ASSI ( resid 2 and name HE2 )
     ( resid 4 and name HE1 )
     6.0 0.1 0.1 peak 180 weight 0.11000E+01 volume 2.99660 ppm1 7.4013052 ppm2 2.9970765
  OR ( resid 2 and name HE2 )
     ( resid 4 and name HE2 )
ASSI ( resid 10 and name HE2 )
     ( resid 27 and name HD1 )
     6.0 0.1 0.1 peak 181 weight 0.11000E+01 volume 27.08020 ppm1 7.4486356 ppm2 2.7787154
  OR ( resid 10 and name HE2 )
     ( resid 27 and name HD2 )
  OR ( resid 10 and name HE1 )
     ( resid 27 and name HD1 )
  OR ( resid 10 and name HE1 )
     ( resid 27 and name HD2 )
ASSI ( resid 2 and name HD1 )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 182 weight 0.11000E+01 volume 27.05570 ppm1 7.3548584 ppm2 2.8295343
  OR ( resid 2 and name HD2 )
     ( resid 3 and name HB2 )
ASSI ( resid 26 and name HE1 )
     ( resid 27 and name HD1 )
     6.0 0.1 0.1 peak 183 weight 0.11000E+01 volume 20.16370 ppm1 7.3594446 ppm2 2.7722762
  OR ( resid 26 and name HE1 )
     ( resid 27 and name HD2 )
ASSI ( resid 9 and name HD2 )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 184 weight 0.11000E+01 volume 82.96420 ppm1 7.1062164 ppm2 5.5065985
  OR ( resid 9 and name HD2 )
     ( resid 30 and name HA )
ASSI ( resid 9 and name HD2 )
     ( resid 7 and name HA )
     6.0 0.1 0.1 peak 185 weight 0.11000E+01 volume 11.15310 ppm1 7.1072340 ppm2 4.9595308
ASSI ( resid 32 and name HD1 )
     ( resid 31 and name HA )
     6.0 0.1 0.1 peak 186 weight 0.11000E+01 volume 32.58830 ppm1 7.2060456 ppm2 4.8295994
ASSI ( resid 9 and name HD2 )
     ( resid 9 and name HA )
     6.0 0.1 0.1 peak 187 weight 0.11000E+01 volume 144.57550 ppm1 7.1063533 ppm2 4.8026543
  OR ( resid 9 and name HD2 )
     ( resid 29 and name HA )
ASSI ( resid 32 and name HD1 )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 188 weight 0.11000E+01 volume 70.41900 ppm1 7.2039471 ppm2 4.6746254
ASSI ( resid 27 and name HN )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 189 weight 0.11000E+01 volume 196.70360 ppm1 7.1689053 ppm2 4.7319236
  OR ( resid 27 and name HN )
     ( resid 34 and name HA )
  OR ( resid 34 and name HD1 )
     ( resid 27 and name HA )
  OR ( resid 34 and name HD1 )
     ( resid 34 and name HA )
ASSI ( resid 32 and name HZ3 )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 190 weight 0.11000E+01 volume 26.87750 ppm1 7.1213694 ppm2 4.6758423
ASSI ( resid 27 and name HE )
     ( resid 27 and name HA )
     6.0 0.1 0.1 peak 191 weight 0.11000E+01 volume 7.44980 ppm1 6.9871140 ppm2 4.7293978
ASSI ( resid 26 and name HD1 )
     ( resid 26 and name HA )
     6.0 0.1 0.1 peak 192 weight 0.11000E+01 volume 211.69220 ppm1 7.2295022 ppm2 4.4622483
ASSI ( resid 27 and name HN )
     ( resid 26 and name HA )
     6.0 0.1 0.1 peak 193 weight 0.11000E+01 volume 200.94730 ppm1 7.1718807 ppm2 4.4625130
ASSI ( resid 9 and name HD2 )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 194 weight 0.11000E+01 volume 10.25680 ppm1 7.0975571 ppm2 4.5355053
  OR ( resid 9 and name HD2 )
     ( resid 17 and name HA )
  OR ( resid 16 and name HD2 )
     ( resid 10 and name HA )
  OR ( resid 16 and name HD2 )
     ( resid 17 and name HA )
ASSI ( resid 27 and name HE )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 195 weight 0.11000E+01 volume 6.50040 ppm1 6.9885802 ppm2 4.5371895
ASSI ( resid 16 and name HD2 )
     ( resid 16 and name HA )
     6.0 0.1 0.1 peak 196 weight 0.11000E+01 volume 34.31720 ppm1 7.0970235 ppm2 4.3055258
ASSI ( resid 27 and name HN )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 197 weight 0.11000E+01 volume 18.39700 ppm1 7.1664734 ppm2 4.2600765
  OR ( resid 27 and name HN )
     ( resid 33 and name HA )
  OR ( resid 34 and name HD1 )
     ( resid 24 and name HA )
  OR ( resid 34 and name HD1 )
     ( resid 33 and name HA )
  OR ( resid 34 and name HH2 )
     ( resid 24 and name HA )
  OR ( resid 34 and name HH2 )
     ( resid 33 and name HA )
ASSI ( resid 24 and name HD1 )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 198 weight 0.11000E+01 volume 174.64400 ppm1 7.2120786 ppm2 4.2709599
  OR ( resid 24 and name HD2 )
     ( resid 24 and name HA )
ASSI ( resid 34 and name HH2 )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 199 weight 0.11000E+01 volume 6.84630 ppm1 7.1673818 ppm2 4.0962296
ASSI ( resid 32 and name HD1 )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 200 weight 0.11000E+01 volume 34.18040 ppm1 7.2045217 ppm2 3.8879340
  OR ( resid 32 and name HD1 )
     ( resid 5 and name HA2 )
ASSI ( resid 34 and name HD1 )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 201 weight 0.11000E+01 volume 18.27310 ppm1 7.1660624 ppm2 3.8903220
  OR ( resid 34 and name HD1 )
     ( resid 5 and name HA2 )
  OR ( resid 34 and name HH2 )
     ( resid 33 and name HD1 )
  OR ( resid 34 and name HH2 )
     ( resid 5 and name HA2 )
ASSI ( resid 32 and name HZ3 )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 202 weight 0.11000E+01 volume 18.98390 ppm1 7.1213846 ppm2 3.8825924
ASSI ( resid 16 and name HD2 )
     ( resid 15 and name HA )
     6.0 0.1 0.1 peak 203 weight 0.11000E+01 volume 14.99370 ppm1 7.0978284 ppm2 3.9664443
ASSI ( resid 34 and name HZ2 )
     ( resid 5 and name HA2 )
     6.0 0.1 0.1 peak 204 weight 0.11000E+01 volume 4.83370 ppm1 7.0552673 ppm2 3.8841643
ASSI ( resid 9 and name HD2 )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 205 weight 0.11000E+01 volume 30.82350 ppm1 7.1074653 ppm2 3.7892952
ASSI ( resid 27 and name HN )
     ( resid 25 and name HA1 )
     6.0 0.1 0.1 peak 206 weight 0.11000E+01 volume 29.21460 ppm1 7.1681314 ppm2 3.7704351
  OR ( resid 27 and name HN )
     ( resid 22 and name HB2 )
ASSI ( resid 26 and name HD1 )
     ( resid 25 and name HA1 )
     6.0 0.1 0.1 peak 207 weight 0.11000E+01 volume 79.67070 ppm1 7.2162113 ppm2 3.7586451
  OR ( resid 24 and name HD2 )
     ( resid 25 and name HA1 )
ASSI ( resid 9 and name HD2 )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 208 weight 0.11000E+01 volume 32.94410 ppm1 7.1071987 ppm2 3.9005980
ASSI ( resid 16 and name HD2 )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 209 weight 0.11000E+01 volume 60.89920 ppm1 7.0978956 ppm2 3.6827500
  OR ( resid 16 and name HD2 )
     ( resid 15 and name HB1 )
ASSI ( resid 32 and name HH2 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 210 weight 0.11000E+01 volume 14.57740 ppm1 7.2158246 ppm2 3.4829297
ASSI ( resid 26 and name HD1 )
     ( resid 26 and name HB1 )
     6.0 0.1 0.1 peak 211 weight 0.11000E+01 volume 244.91740 ppm1 7.2283106 ppm2 3.3432195
ASSI ( resid 26 and name HD1 )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 212 weight 0.11000E+01 volume 316.50839 ppm1 7.2295885 ppm2 3.2115705
ASSI ( resid 27 and name HN )
     ( resid 25 and name HA2 )
     6.0 0.1 0.1 peak 213 weight 0.11000E+01 volume 23.53840 ppm1 7.1727290 ppm2 3.3993776
ASSI ( resid 34 and name HD1 )
     ( resid 34 and name HB1 )
     6.0 0.1 0.1 peak 214 weight 0.11000E+01 volume 320.73920 ppm1 7.1652374 ppm2 3.3159266
  OR ( resid 34 and name HD1 )
     ( resid 34 and name HB2 )
ASSI ( resid 16 and name HD2 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 215 weight 0.11000E+01 volume 74.46030 ppm1 7.0982180 ppm2 3.2750149
ASSI ( resid 9 and name HD2 )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 216 weight 0.11000E+01 volume 84.19380 ppm1 7.1060996 ppm2 3.3122962
  OR ( resid 9 and name HD2 )
     ( resid 34 and name HB2 )
  OR ( resid 34 and name HZ3 )
     ( resid 9 and name HB1 )
  OR ( resid 34 and name HZ3 )
     ( resid 34 and name HB2 )
ASSI ( resid 32 and name HZ3 )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 217 weight 0.11000E+01 volume 82.58110 ppm1 7.1187587 ppm2 3.3777430
  OR ( resid 32 and name HZ3 )
     ( resid 3 and name HB1 )
  OR ( resid 9 and name HD2 )
     ( resid 33 and name HD2 )
  OR ( resid 9 and name HD2 )
     ( resid 3 and name HB1 )
ASSI ( resid 32 and name HZ3 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 218 weight 0.11000E+01 volume 50.03610 ppm1 7.1283407 ppm2 3.4813766
ASSI ( resid 16 and name HD2 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 219 weight 0.11000E+01 volume 116.14580 ppm1 7.0969839 ppm2 3.4812548
ASSI ( resid 34 and name HZ2 )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 220 weight 0.11000E+01 volume 13.40330 ppm1 7.0592628 ppm2 3.3801851
ASSI ( resid 34 and name HZ2 )
     ( resid 34 and name HB2 )
     6.0 0.1 0.1 peak 221 weight 0.11000E+01 volume 15.43640 ppm1 7.0586071 ppm2 3.3125339
  OR ( resid 34 and name HZ2 )
     ( resid 34 and name HB1 )
ASSI ( resid 32 and name HZ3 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 222 weight 0.11000E+01 volume 65.78350 ppm1 7.1281166 ppm2 3.2700934
ASSI ( resid 9 and name HD2 )
     ( resid 14 and name HD1 )
     6.0 0.1 0.1 peak 223 weight 0.11000E+01 volume 50.18780 ppm1 7.1065364 ppm2 3.1225181
ASSI ( resid 24 and name HD2 )
     ( resid 24 and name HB1 )
     6.0 0.1 0.1 peak 224 weight 0.11000E+01 volume 295.55731 ppm1 7.2108145 ppm2 3.0847154
  OR ( resid 24 and name HD1 )
     ( resid 24 and name HB1 )
  OR ( resid 26 and name HD1 )
     ( resid 24 and name HB1 )
ASSI ( resid 24 and name HD2 )
     ( resid 24 and name HB2 )
     6.0 0.1 0.1 peak 225 weight 0.11000E+01 volume 305.53909 ppm1 7.2093320 ppm2 2.9868038
  OR ( resid 24 and name HD1 )
     ( resid 24 and name HB2 )
ASSI ( resid 9 and name HD2 )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 226 weight 0.11000E+01 volume 148.48950 ppm1 7.1073737 ppm2 2.9952016
ASSI ( resid 9 and name HD2 )
     ( resid 14 and name HD2 )
     6.0 0.1 0.1 peak 227 weight 0.11000E+01 volume 41.50180 ppm1 7.1060419 ppm2 2.8720291
ASSI ( resid 10 and name HD2 )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 228 weight 0.11000E+01 volume 55.97950 ppm1 7.3005981 ppm2 2.7777774
ASSI ( resid 34 and name HN )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 229 weight 0.11000E+01 volume 33.56760 ppm1 7.2999043 ppm2 2.6406484
ASSI ( resid 34 and name HN )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 230 weight 0.11000E+01 volume 47.67530 ppm1 7.3004107 ppm2 2.5815711
ASSI ( resid 24 and name HD2 )
     ( resid 27 and name HD1 )
     6.0 0.1 0.1 peak 231 weight 0.11000E+01 volume 16.31880 ppm1 7.2109914 ppm2 2.7913172
ASSI ( resid 32 and name HD1 )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 232 weight 0.11000E+01 volume 190.73030 ppm1 7.2040267 ppm2 2.6468358
ASSI ( resid 32 and name HD1 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 233 weight 0.11000E+01 volume 128.20480 ppm1 7.2044902 ppm2 2.5857477
ASSI ( resid 27 and name HN )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 234 weight 0.11000E+01 volume 28.18320 ppm1 7.1757579 ppm2 2.7875562
  OR ( resid 27 and name HN )
     ( resid 27 and name HD1 )
ASSI ( resid 34 and name HD1 )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 235 weight 0.11000E+01 volume 49.46720 ppm1 7.1651425 ppm2 2.6449502
ASSI ( resid 34 and name HD1 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 236 weight 0.11000E+01 volume 53.71660 ppm1 7.1656528 ppm2 2.5859201
  OR ( resid 34 and name HH2 )
     ( resid 32 and name HB2 )
ASSI ( resid 9 and name HD2 )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 237 weight 0.11000E+01 volume 55.01890 ppm1 7.1086898 ppm2 2.5399535
ASSI ( resid 34 and name HZ2 )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 238 weight 0.11000E+01 volume 13.97980 ppm1 7.0537009 ppm2 2.6398582
ASSI ( resid 34 and name HZ2 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 239 weight 0.11000E+01 volume 21.36710 ppm1 7.0532374 ppm2 2.5865204
ASSI ( resid 27 and name HE )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 240 weight 0.11000E+01 volume 354.43759 ppm1 6.9873934 ppm2 2.7850301
  OR ( resid 27 and name HE )
     ( resid 27 and name HD1 )
ASSI ( resid 9 and name HD2 )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 241 weight 0.11000E+01 volume 382.21109 ppm1 7.1063781 ppm2 2.6376145
  OR ( resid 9 and name HD2 )
     ( resid 30 and name HB1 )
ASSI ( resid 35 and name HD22 )
     ( resid 35 and name HA )
     6.0 0.1 0.1 peak 242 weight 0.11000E+01 volume 12.00730 ppm1 6.9256120 ppm2 4.7891374
ASSI ( resid 27 and name HE )
     ( resid 25 and name HA1 )
     6.0 0.1 0.1 peak 243 weight 0.11000E+01 volume 19.32240 ppm1 6.9882097 ppm2 3.7528296
ASSI ( resid 27 and name HE )
     ( resid 25 and name HA2 )
     6.0 0.1 0.1 peak 244 weight 0.11000E+01 volume 7.60340 ppm1 6.9856100 ppm2 3.3929563
ASSI ( resid 27 and name HE )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 245 weight 0.11000E+01 volume 40.71360 ppm1 6.9868617 ppm2 3.1812358
  OR ( resid 27 and name HE )
     ( resid 23 and name HB1 )
ASSI ( resid 27 and name HE )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 246 weight 0.11000E+01 volume 23.28520 ppm1 6.9869418 ppm2 3.0129068
ASSI ( resid 35 and name HD22 )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 247 weight 0.11000E+01 volume 34.93360 ppm1 6.9259706 ppm2 2.7268221
ASSI ( resid 35 and name HD22 )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 248 weight 0.11000E+01 volume 57.57420 ppm1 6.9260712 ppm2 2.5843453
ASSI ( resid 27 and name HE )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 249 weight 0.11000E+01 volume 21.26610 ppm1 6.9855299 ppm2 2.5204439
ASSI ( resid 34 and name HE1 )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 250 weight 0.11000E+01 volume 6.97850 ppm1 10.1540318 ppm2 3.8847034
  OR ( resid 34 and name HE1 )
     ( resid 5 and name HA2 )
  OR ( resid 32 and name HE1 )
     ( resid 33 and name HD1 )
  OR ( resid 32 and name HE1 )
     ( resid 5 and name HA2 )
ASSI ( resid 34 and name HE1 )
     ( resid 34 and name HB1 )
     6.0 0.1 0.1 peak 251 weight 0.11000E+01 volume 28.04840 ppm1 10.1498480 ppm2 3.3177440
ASSI ( resid 9 and name HN )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 252 weight 0.11000E+01 volume 40.87060 ppm1 9.6465998 ppm2 3.6584091
  OR ( resid 9 and name HN )
     ( resid 28 and name HB1 )
ASSI ( resid 9 and name HN )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 253 weight 0.11000E+01 volume 103.02300 ppm1 9.6490679 ppm2 3.3157918
ASSI ( resid 9 and name HN )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 254 weight 0.11000E+01 volume 5.51100 ppm1 9.6533537 ppm2 3.7921245
ASSI ( resid 9 and name HN )
     ( resid 23 and name HB1 )
     6.0 0.1 0.1 peak 255 weight 0.11000E+01 volume 16.64310 ppm1 9.6484232 ppm2 3.1716356
  OR ( resid 9 and name HN )
     ( resid 23 and name HB2 )
ASSI ( resid 9 and name HN )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 256 weight 0.11000E+01 volume 161.64580 ppm1 9.6463747 ppm2 2.9982336
ASSI ( resid 9 and name HN )
     ( resid 8 and name HB1 )
     6.0 0.1 0.1 peak 257 weight 0.11000E+01 volume 51.19630 ppm1 9.6472330 ppm2 2.8723695
ASSI ( resid 9 and name HN )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 258 weight 0.11000E+01 volume 17.87200 ppm1 9.6490946 ppm2 2.7828970
ASSI ( resid 31 and name HN )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 259 weight 0.11000E+01 volume 111.75510 ppm1 9.6678448 ppm2 2.6281776
  OR ( resid 31 and name HN )
     ( resid 30 and name HB1 )
ASSI ( resid 9 and name HN )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 260 weight 0.11000E+01 volume 107.31550 ppm1 9.6531534 ppm2 2.5133266
  OR ( resid 9 and name HN )
     ( resid 13 and name HB1 )
  OR ( resid 31 and name HN )
     ( resid 8 and name HB2 )
  OR ( resid 31 and name HN )
     ( resid 13 and name HB1 )
ASSI ( resid 34 and name HE1 )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 261 weight 0.11000E+01 volume 15.79720 ppm1 10.1501932 ppm2 2.6456673
ASSI ( resid 34 and name HE1 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 262 weight 0.11000E+01 volume 14.77110 ppm1 10.1509018 ppm2 2.5845499
  OR ( resid 32 and name HE1 )
     ( resid 32 and name HB2 )
ASSI ( resid 34 and name HE1 )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 263 weight 0.11000E+01 volume 3.79910 ppm1 10.1486139 ppm2 1.8914292
ASSI ( resid 34 and name HE1 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 264 weight 0.11000E+01 volume 3.99190 ppm1 10.1492481 ppm2 1.3939228
ASSI ( resid 34 and name HE1 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 265 weight 0.11000E+01 volume 3.73540 ppm1 10.1514435 ppm2 1.3004377
ASSI ( resid 31 and name HN )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 266 weight 0.11000E+01 volume 30.57950 ppm1 9.6693211 ppm2 1.6904002
ASSI ( resid 9 and name HN )
     ( resid 1 and name HB2 )
     6.0 0.1 0.1 peak 267 weight 0.11000E+01 volume 14.25840 ppm1 9.6470785 ppm2 1.6185718
  OR ( resid 9 and name HN )
     ( resid 27 and name HG1 )
ASSI ( resid 9 and name HN )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 268 weight 0.11000E+01 volume 101.02120 ppm1 9.6496382 ppm2 1.5201387
  OR ( resid 9 and name HN )
     ( resid 27 and name HB1 )
ASSI ( resid 31 and name HN )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 269 weight 0.11000E+01 volume 280.87970 ppm1 9.6705389 ppm2 1.3890511
ASSI ( resid 31 and name HN )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 270 weight 0.11000E+01 volume 21.29450 ppm1 9.6735249 ppm2 1.3219466
ASSI ( resid 31 and name HN )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 271 weight 0.11000E+01 volume 61.11200 ppm1 9.6661253 ppm2 1.1401381
ASSI ( resid 31 and name HN )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 272 weight 0.11000E+01 volume 15.83370 ppm1 9.6737461 ppm2 0.9928609
ASSI ( resid 31 and name HN )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 273 weight 0.11000E+01 volume 54.77520 ppm1 9.6677179 ppm2 0.8683915
  OR ( resid 31 and name HN )
     ( resid 20 and name HG12 )
  OR ( resid 31 and name HN )
     ( resid 20 and name HG13 )
ASSI ( resid 31 and name HN )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 274 weight 0.11000E+01 volume 16.07770 ppm1 9.6736050 ppm2 0.8064888
ASSI ( resid 31 and name HN )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 275 weight 0.11000E+01 volume 55.61630 ppm1 9.6697292 ppm2 0.5723097
  OR ( resid 31 and name HN )
     ( resid 20 and name HG21 )
  OR ( resid 31 and name HN )
     ( resid 20 and name HG23 )
ASSI ( resid 31 and name HN )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 276 weight 0.11000E+01 volume 11.74930 ppm1 9.6669321 ppm2 0.3521259
  OR ( resid 31 and name HN )
     ( resid 17 and name HD13 )
  OR ( resid 31 and name HN )
     ( resid 17 and name HD12 )
ASSI ( resid 31 and name HN )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 277 weight 0.11000E+01 volume 14.92340 ppm1 9.6684046 ppm2 0.0959674
  OR ( resid 31 and name HN )
     ( resid 17 and name HD22 )
  OR ( resid 31 and name HN )
     ( resid 17 and name HD23 )
ASSI ( resid 32 and name HE1 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 278 weight 0.11000E+01 volume 5.71280 ppm1 10.1507845 ppm2 0.3518873
  OR ( resid 32 and name HE1 )
     ( resid 17 and name HD13 )
  OR ( resid 32 and name HE1 )
     ( resid 17 and name HD12 )
ASSI ( resid 32 and name HE1 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 279 weight 0.11000E+01 volume 13.85840 ppm1 10.1508598 ppm2 0.0997219
  OR ( resid 32 and name HE1 )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HE1 )
     ( resid 17 and name HD23 )
ASSI ( resid 10 and name HN )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 280 weight 0.11000E+01 volume 107.83390 ppm1 9.1987286 ppm2 3.3133903
ASSI ( resid 10 and name HN )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 281 weight 0.11000E+01 volume 235.92200 ppm1 9.2027769 ppm2 3.1285009
ASSI ( resid 10 and name HN )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 282 weight 0.11000E+01 volume 373.45639 ppm1 9.2027769 ppm2 3.0201821
ASSI ( resid 28 and name HN )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 283 weight 0.11000E+01 volume 16.08200 ppm1 9.0725212 ppm2 3.3201437
ASSI ( resid 28 and name HN )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 284 weight 0.11000E+01 volume 20.41090 ppm1 9.0736856 ppm2 3.1882238
  OR ( resid 28 and name HN )
     ( resid 23 and name HB1 )
ASSI ( resid 28 and name HN )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 285 weight 0.11000E+01 volume 24.57360 ppm1 9.0746365 ppm2 3.0014327
ASSI ( resid 18 and name HN )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 286 weight 0.11000E+01 volume 8.53320 ppm1 8.9355326 ppm2 3.3829074
ASSI ( resid 2 and name HN )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 287 weight 0.11000E+01 volume 102.03130 ppm1 8.8879461 ppm2 3.2408459
ASSI ( resid 2 and name HN )
     ( resid 2 and name HB2 )
     6.0 0.1 0.1 peak 288 weight 0.11000E+01 volume 176.31990 ppm1 8.8878269 ppm2 3.0923460
ASSI ( resid 30 and name HN )
     ( resid 8 and name HB1 )
     6.0 0.1 0.1 peak 289 weight 0.11000E+01 volume 10.42080 ppm1 9.0136900 ppm2 2.8621941
  OR ( resid 30 and name HN )
     ( resid 3 and name HB2 )
ASSI ( resid 28 and name HN )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 290 weight 0.11000E+01 volume 24.83460 ppm1 9.0733795 ppm2 2.7833796
  OR ( resid 28 and name HN )
     ( resid 27 and name HD1 )
ASSI ( resid 10 and name HN )
     ( resid 27 and name HD1 )
     6.0 0.1 0.1 peak 291 weight 0.11000E+01 volume 21.26460 ppm1 9.2002993 ppm2 2.7833796
  OR ( resid 10 and name HN )
     ( resid 27 and name HD2 )
ASSI ( resid 30 and name HN )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 292 weight 0.11000E+01 volume 332.50061 ppm1 9.0155754 ppm2 2.6360464
  OR ( resid 30 and name HN )
     ( resid 30 and name HB1 )
ASSI ( resid 28 and name HN )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 293 weight 0.11000E+01 volume 16.38150 ppm1 9.0744438 ppm2 2.5146251
ASSI ( resid 30 and name HN )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 294 weight 0.11000E+01 volume 11.29920 ppm1 9.0130463 ppm2 2.5345645
ASSI ( resid 30 and name HN )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 295 weight 0.11000E+01 volume 44.09420 ppm1 9.0134964 ppm2 2.4713447
ASSI ( resid 30 and name HN )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 296 weight 0.11000E+01 volume 39.78440 ppm1 9.0129328 ppm2 2.4171176
ASSI ( resid 18 and name HN )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 297 weight 0.11000E+01 volume 35.57120 ppm1 8.9408293 ppm2 2.6257656
  OR ( resid 18 and name HN )
     ( resid 30 and name HB2 )
ASSI ( resid 18 and name HN )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 298 weight 0.11000E+01 volume 19.37470 ppm1 8.9384680 ppm2 2.5406823
ASSI ( resid 22 and name HN )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 299 weight 0.11000E+01 volume 28.27570 ppm1 8.9372826 ppm2 2.4697526
ASSI ( resid 22 and name HN )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 300 weight 0.11000E+01 volume 23.35840 ppm1 8.9373531 ppm2 2.4033184
ASSI ( resid 10 and name HN )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 301 weight 0.11000E+01 volume 13.76070 ppm1 9.2002239 ppm2 1.6205878
ASSI ( resid 10 and name HN )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 302 weight 0.11000E+01 volume 13.85090 ppm1 9.1996498 ppm2 1.5076655
ASSI ( resid 28 and name HN )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 303 weight 0.11000E+01 volume 43.42860 ppm1 9.0749550 ppm2 1.6182971
ASSI ( resid 28 and name HN )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 304 weight 0.11000E+01 volume 288.04941 ppm1 9.0761080 ppm2 1.5052629
  OR ( resid 28 and name HN )
     ( resid 27 and name HB1 )
ASSI ( resid 18 and name HN )
     ( resid 33 and name HG1 )
     6.0 0.1 0.1 peak 305 weight 0.11000E+01 volume 11.52750 ppm1 8.9338207 ppm2 1.9015805
ASSI ( resid 18 and name HN )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 306 weight 0.11000E+01 volume 135.45340 ppm1 8.9385262 ppm2 1.6888409
  OR ( resid 18 and name HN )
     ( resid 19 and name HB2 )
  OR ( resid 22 and name HN )
     ( resid 18 and name HB )
  OR ( resid 22 and name HN )
     ( resid 19 and name HB2 )
ASSI ( resid 2 and name HN )
     ( resid 1 and name HB2 )
     6.0 0.1 0.1 peak 307 weight 0.11000E+01 volume 113.43940 ppm1 8.8876057 ppm2 1.6229529
  OR ( resid 2 and name HN )
     ( resid 1 and name HB1 )
ASSI ( resid 5 and name HN )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 308 weight 0.11000E+01 volume 72.37880 ppm1 8.7744961 ppm2 1.8240229
ASSI ( resid 5 and name HN )
     ( resid 4 and name HB2 )
     6.0 0.1 0.1 peak 309 weight 0.11000E+01 volume 102.16700 ppm1 8.7735481 ppm2 1.7514745
  OR ( resid 5 and name HN )
     ( resid 4 and name HD1 )
  OR ( resid 5 and name HN )
     ( resid 4 and name HD2 )
ASSI ( resid 5 and name HN )
     ( resid 4 and name HG1 )
     6.0 0.1 0.1 peak 310 weight 0.11000E+01 volume 35.64210 ppm1 8.7732229 ppm2 1.4505275
ASSI ( resid 20 and name HN )
     ( resid 19 and name HG1 )
     6.0 0.1 0.1 peak 311 weight 0.11000E+01 volume 126.92920 ppm1 8.7688856 ppm2 1.3676072
  OR ( resid 20 and name HN )
     ( resid 19 and name HG2 )
  OR ( resid 20 and name HN )
     ( resid 4 and name HG2 )
  OR ( resid 5 and name HN )
     ( resid 19 and name HG1 )
  OR ( resid 5 and name HN )
     ( resid 19 and name HG2 )
  OR ( resid 5 and name HN )
     ( resid 4 and name HG2 )
ASSI ( resid 30 and name HN )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 312 weight 0.11000E+01 volume 9.80810 ppm1 9.0049801 ppm2 1.3334545
ASSI ( resid 18 and name HN )
     ( resid 18 and name HG11 )
     6.0 0.1 0.1 peak 313 weight 0.11000E+01 volume 188.65460 ppm1 8.9375238 ppm2 1.3647566
ASSI ( resid 30 and name HN )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 314 weight 0.11000E+01 volume 23.51600 ppm1 9.0113602 ppm2 1.3812482
ASSI ( resid 10 and name HN )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 315 weight 0.11000E+01 volume 27.42450 ppm1 9.2005682 ppm2 1.1297914
ASSI ( resid 28 and name HN )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 316 weight 0.11000E+01 volume 49.73070 ppm1 9.0739231 ppm2 1.1332225
ASSI ( resid 30 and name HN )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 317 weight 0.11000E+01 volume 27.46550 ppm1 9.0064535 ppm2 1.1416203
ASSI ( resid 18 and name HN )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 318 weight 0.11000E+01 volume 152.63840 ppm1 8.9388933 ppm2 1.1407279
ASSI ( resid 18 and name HN )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 319 weight 0.11000E+01 volume 141.95461 ppm1 8.9389572 ppm2 0.9931078
  OR ( resid 18 and name HN )
     ( resid 17 and name HG )
ASSI ( resid 2 and name HN )
     ( resid 1 and name HD23 )
     6.0 0.1 0.1 peak 320 weight 0.11000E+01 volume 16.26690 ppm1 8.8869219 ppm2 0.8996164
  OR ( resid 2 and name HN )
     ( resid 1 and name HD21 )
  OR ( resid 2 and name HN )
     ( resid 1 and name HD22 )
ASSI ( resid 18 and name HN )
     ( resid 20 and name HG13 )
     6.0 0.1 0.1 peak 321 weight 0.11000E+01 volume 7.70660 ppm1 8.9350443 ppm2 0.8761742
  OR ( resid 18 and name HN )
     ( resid 20 and name HG11 )
  OR ( resid 18 and name HN )
     ( resid 20 and name HG12 )
  OR ( resid 22 and name HN )
     ( resid 20 and name HG13 )
  OR ( resid 22 and name HN )
     ( resid 20 and name HG11 )
  OR ( resid 22 and name HN )
     ( resid 20 and name HG12 )
ASSI ( resid 18 and name HN )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 322 weight 0.11000E+01 volume 75.36270 ppm1 8.9399643 ppm2 0.8069367
ASSI ( resid 18 and name HN )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 323 weight 0.11000E+01 volume 25.99880 ppm1 8.9340401 ppm2 0.7521702
ASSI ( resid 22 and name HN )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 324 weight 0.11000E+01 volume 15.87290 ppm1 8.9342461 ppm2 0.5727673
  OR ( resid 22 and name HN )
     ( resid 20 and name HG23 )
ASSI ( resid 30 and name HN )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 325 weight 0.11000E+01 volume 21.44470 ppm1 9.0147429 ppm2 0.5691463
  OR ( resid 30 and name HN )
     ( resid 20 and name HG21 )
  OR ( resid 30 and name HN )
     ( resid 20 and name HG23 )
ASSI ( resid 2 and name HN )
     ( resid 1 and name HD12 )
     6.0 0.1 0.1 peak 326 weight 0.11000E+01 volume 82.17750 ppm1 8.8877277 ppm2 0.9417180
  OR ( resid 2 and name HN )
     ( resid 1 and name HD11 )
  OR ( resid 2 and name HN )
     ( resid 1 and name HD13 )
ASSI ( resid 18 and name HN )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 327 weight 0.11000E+01 volume 17.32370 ppm1 8.9407682 ppm2 0.3543196
  OR ( resid 18 and name HN )
     ( resid 17 and name HD13 )
  OR ( resid 18 and name HN )
     ( resid 17 and name HD11 )
ASSI ( resid 30 and name HN )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 328 weight 0.11000E+01 volume 15.90000 ppm1 9.0099583 ppm2 0.3521487
  OR ( resid 30 and name HN )
     ( resid 17 and name HD13 )
  OR ( resid 30 and name HN )
     ( resid 17 and name HD12 )
ASSI ( resid 18 and name HN )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 329 weight 0.11000E+01 volume 41.49880 ppm1 8.9395075 ppm2 0.1013438
  OR ( resid 18 and name HN )
     ( resid 17 and name HD21 )
  OR ( resid 18 and name HN )
     ( resid 17 and name HD23 )
ASSI ( resid 30 and name HN )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 330 weight 0.11000E+01 volume 4.88420 ppm1 9.0134382 ppm2 0.1011554
  OR ( resid 30 and name HN )
     ( resid 17 and name HD22 )
  OR ( resid 30 and name HN )
     ( resid 17 and name HD23 )
ASSI ( resid 5 and name HN )
     ( resid 6 and name HA2 )
     6.0 0.1 0.1 peak 331 weight 0.11000E+01 volume 10.83290 ppm1 8.7734823 ppm2 3.7977042
ASSI ( resid 20 and name HN )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 332 weight 0.11000E+01 volume 17.52500 ppm1 8.7478504 ppm2 3.6581287
ASSI ( resid 29 and name HN )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 333 weight 0.11000E+01 volume 202.30240 ppm1 8.6707525 ppm2 3.6623619
  OR ( resid 29 and name HN )
     ( resid 28 and name HB1 )
ASSI ( resid 13 and name HN )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 334 weight 0.11000E+01 volume 32.65200 ppm1 8.5487700 ppm2 3.6596465
  OR ( resid 13 and name HN )
     ( resid 28 and name HB1 )
ASSI ( resid 16 and name HE1 )
     ( resid 15 and name HB1 )
     6.0 0.1 0.1 peak 335 weight 0.11000E+01 volume 10.50330 ppm1 8.4952593 ppm2 3.6856084
  OR ( resid 16 and name HE1 )
     ( resid 15 and name HB2 )
ASSI ( resid 16 and name HE1 )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 336 weight 0.11000E+01 volume 7.56110 ppm1 8.4962044 ppm2 3.4846251
ASSI ( resid 9 and name HE1 )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 337 weight 0.11000E+01 volume 5.43750 ppm1 8.6448069 ppm2 3.3201141
ASSI ( resid 29 and name HN )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 338 weight 0.11000E+01 volume 8.12730 ppm1 8.6737585 ppm2 3.1761041
  OR ( resid 29 and name HN )
     ( resid 23 and name HB1 )
ASSI ( resid 5 and name HN )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 339 weight 0.11000E+01 volume 12.23530 ppm1 8.7742233 ppm2 3.2468348
ASSI ( resid 8 and name HN )
     ( resid 3 and name HB1 )
     6.0 0.1 0.1 peak 340 weight 0.11000E+01 volume 3.04370 ppm1 8.6995020 ppm2 3.3743410
ASSI ( resid 11 and name HN )
     ( resid 11 and name HA2 )
     6.0 0.1 0.1 peak 341 weight 0.11000E+01 volume 457.98010 ppm1 8.5897837 ppm2 3.4403162
ASSI ( resid 11 and name HN )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 342 weight 0.11000E+01 volume 11.89260 ppm1 8.5898552 ppm2 3.3087299
ASSI ( resid 4 and name HN )
     ( resid 3 and name HB1 )
     6.0 0.1 0.1 peak 343 weight 0.11000E+01 volume 93.68200 ppm1 8.5284252 ppm2 3.3765979
  OR ( resid 7 and name HN )
     ( resid 3 and name HB1 )
ASSI ( resid 11 and name HN )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 344 weight 0.11000E+01 volume 74.77240 ppm1 8.5894823 ppm2 3.1288126
ASSI ( resid 13 and name HN )
     ( resid 14 and name HD1 )
     6.0 0.1 0.1 peak 345 weight 0.11000E+01 volume 28.72370 ppm1 8.5484695 ppm2 3.1200190
ASSI ( resid 4 and name HN )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 346 weight 0.11000E+01 volume 10.11510 ppm1 8.5282249 ppm2 3.2370775
ASSI ( resid 9 and name HE1 )
     ( resid 14 and name HD1 )
     6.0 0.1 0.1 peak 347 weight 0.11000E+01 volume 19.56340 ppm1 8.6455374 ppm2 3.1241164
ASSI ( resid 9 and name HE1 )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 348 weight 0.11000E+01 volume 5.24880 ppm1 8.6449509 ppm2 3.0013280
ASSI ( resid 11 and name HN )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 349 weight 0.11000E+01 volume 51.47130 ppm1 8.5900049 ppm2 3.0258515
ASSI ( resid 4 and name HN )
     ( resid 4 and name HE1 )
     6.0 0.1 0.1 peak 350 weight 0.11000E+01 volume 12.35500 ppm1 8.5333023 ppm2 2.9988415
  OR ( resid 4 and name HN )
     ( resid 4 and name HE2 )
ASSI ( resid 5 and name HN )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 351 weight 0.11000E+01 volume 10.74040 ppm1 8.7729187 ppm2 2.8455780
ASSI ( resid 29 and name HN )
     ( resid 19 and name HE2 )
     6.0 0.1 0.1 peak 352 weight 0.11000E+01 volume 69.44450 ppm1 8.6733074 ppm2 2.9256048
  OR ( resid 29 and name HN )
     ( resid 19 and name HE1 )
ASSI ( resid 9 and name HE1 )
     ( resid 14 and name HD2 )
     6.0 0.1 0.1 peak 353 weight 0.11000E+01 volume 18.80080 ppm1 8.6459036 ppm2 2.8728597
ASSI ( resid 8 and name HN )
     ( resid 8 and name HB1 )
     6.0 0.1 0.1 peak 354 weight 0.11000E+01 volume 411.31390 ppm1 8.7027922 ppm2 2.8724475
ASSI ( resid 13 and name HN )
     ( resid 14 and name HD2 )
     6.0 0.1 0.1 peak 355 weight 0.11000E+01 volume 74.03510 ppm1 8.5553617 ppm2 2.8652365
  OR ( resid 7 and name HN )
     ( resid 14 and name HD2 )
ASSI ( resid 7 and name HN )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 356 weight 0.11000E+01 volume 45.80390 ppm1 8.5543089 ppm2 2.6398423
  OR ( resid 7 and name HN )
     ( resid 30 and name HB2 )
ASSI ( resid 13 and name HN )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 357 weight 0.11000E+01 volume 526.13531 ppm1 8.5471773 ppm2 2.5422437
  OR ( resid 13 and name HN )
     ( resid 13 and name HB1 )
ASSI ( resid 9 and name HE1 )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 358 weight 0.11000E+01 volume 7.42610 ppm1 8.6453390 ppm2 2.6306236
ASSI ( resid 20 and name HN )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 359 weight 0.11000E+01 volume 24.59790 ppm1 8.7563467 ppm2 2.4707832
ASSI ( resid 29 and name HN )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 360 weight 0.11000E+01 volume 188.11459 ppm1 8.6716108 ppm2 2.4703965
ASSI ( resid 29 and name HN )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 361 weight 0.11000E+01 volume 216.69901 ppm1 8.6715908 ppm2 2.4048083
ASSI ( resid 20 and name HN )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 362 weight 0.11000E+01 volume 67.36310 ppm1 8.7557697 ppm2 2.3619771
ASSI ( resid 9 and name HE1 )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 363 weight 0.11000E+01 volume 8.70100 ppm1 8.6442585 ppm2 2.2994840
ASSI ( resid 8 and name HN )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 364 weight 0.11000E+01 volume 234.77370 ppm1 8.7048197 ppm2 2.5251787
ASSI ( resid 19 and name HN )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 365 weight 0.11000E+01 volume 383.50800 ppm1 8.7252636 ppm2 1.9199586
ASSI ( resid 8 and name HN )
     ( resid 1 and name HB2 )
     6.0 0.1 0.1 peak 366 weight 0.11000E+01 volume 61.41850 ppm1 8.7013340 ppm2 1.6254940
  OR ( resid 8 and name HN )
     ( resid 1 and name HB1 )
  OR ( resid 8 and name HN )
     ( resid 1 and name HG )
ASSI ( resid 19 and name HN )
     ( resid 19 and name HD1 )
     6.0 0.1 0.1 peak 367 weight 0.11000E+01 volume 42.42200 ppm1 8.7273474 ppm2 1.5465674
ASSI ( resid 29 and name HN )
     ( resid 19 and name HD2 )
     6.0 0.1 0.1 peak 368 weight 0.11000E+01 volume 50.74230 ppm1 8.6729259 ppm2 1.5465001
  OR ( resid 29 and name HN )
     ( resid 19 and name HD1 )
ASSI ( resid 9 and name HE1 )
     ( resid 14 and name HG1 )
     6.0 0.1 0.1 peak 369 weight 0.11000E+01 volume 50.96670 ppm1 8.6456404 ppm2 1.5609953
  OR ( resid 9 and name HE1 )
     ( resid 14 and name HG2 )
ASSI ( resid 9 and name HE1 )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 370 weight 0.11000E+01 volume 74.14880 ppm1 8.6444530 ppm2 1.7340938
ASSI ( resid 19 and name HN )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 371 weight 0.11000E+01 volume 563.58801 ppm1 8.7254505 ppm2 1.6858015
  OR ( resid 19 and name HN )
     ( resid 18 and name HB )
ASSI ( resid 20 and name HN )
     ( resid 19 and name HD1 )
     6.0 0.1 0.1 peak 372 weight 0.11000E+01 volume 59.04360 ppm1 8.7519960 ppm2 1.5465674
  OR ( resid 20 and name HN )
     ( resid 19 and name HD2 )
ASSI ( resid 11 and name HN )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 373 weight 0.11000E+01 volume 20.21970 ppm1 8.5897655 ppm2 1.6252997
ASSI ( resid 11 and name HN )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 374 weight 0.11000E+01 volume 16.73440 ppm1 8.5897903 ppm2 1.5069919
ASSI ( resid 29 and name HN )
     ( resid 19 and name HG2 )
     6.0 0.1 0.1 peak 375 weight 0.11000E+01 volume 43.08120 ppm1 8.6737423 ppm2 1.3714918
  OR ( resid 29 and name HN )
     ( resid 19 and name HG1 )
ASSI ( resid 19 and name HN )
     ( resid 19 and name HG1 )
     6.0 0.1 0.1 peak 376 weight 0.11000E+01 volume 154.03920 ppm1 8.7284594 ppm2 1.3761076
  OR ( resid 19 and name HN )
     ( resid 19 and name HG2 )
  OR ( resid 19 and name HN )
     ( resid 18 and name HG11 )
ASSI ( resid 11 and name HN )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 377 weight 0.11000E+01 volume 41.24780 ppm1 8.5896816 ppm2 1.1303381
ASSI ( resid 19 and name HN )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 378 weight 0.11000E+01 volume 30.34550 ppm1 8.7252750 ppm2 0.9941386
ASSI ( resid 20 and name HN )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 379 weight 0.11000E+01 volume 145.34160 ppm1 8.7570972 ppm2 0.8728285
  OR ( resid 20 and name HN )
     ( resid 20 and name HG13 )
  OR ( resid 20 and name HN )
     ( resid 20 and name HG12 )
ASSI ( resid 19 and name HN )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 380 weight 0.11000E+01 volume 177.67250 ppm1 8.7252254 ppm2 0.8074834
ASSI ( resid 19 and name HN )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 381 weight 0.11000E+01 volume 33.11200 ppm1 8.7247791 ppm2 0.7495530
ASSI ( resid 8 and name HN )
     ( resid 1 and name HD21 )
     6.0 0.1 0.1 peak 382 weight 0.11000E+01 volume 4.96050 ppm1 8.6721144 ppm2 0.8703024
  OR ( resid 8 and name HN )
     ( resid 20 and name HG11 )
  OR ( resid 8 and name HN )
     ( resid 20 and name HG12 )
  OR ( resid 8 and name HN )
     ( resid 20 and name HG13 )
  OR ( resid 29 and name HN )
     ( resid 1 and name HD21 )
  OR ( resid 29 and name HN )
     ( resid 20 and name HG11 )
  OR ( resid 29 and name HN )
     ( resid 20 and name HG12 )
  OR ( resid 29 and name HN )
     ( resid 20 and name HG13 )
ASSI ( resid 20 and name HN )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 383 weight 0.11000E+01 volume 392.47479 ppm1 8.7555628 ppm2 0.5727924
  OR ( resid 20 and name HN )
     ( resid 20 and name HG23 )
  OR ( resid 20 and name HN )
     ( resid 20 and name HG21 )
ASSI ( resid 29 and name HN )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 384 weight 0.11000E+01 volume 37.43020 ppm1 8.6737585 ppm2 0.5734126
  OR ( resid 29 and name HN )
     ( resid 20 and name HG21 )
  OR ( resid 29 and name HN )
     ( resid 20 and name HG23 )
ASSI ( resid 9 and name HE1 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 385 weight 0.11000E+01 volume 37.10870 ppm1 8.6452866 ppm2 0.3525669
  OR ( resid 9 and name HE1 )
     ( resid 17 and name HD13 )
  OR ( resid 9 and name HE1 )
     ( resid 17 and name HD11 )
ASSI ( resid 9 and name HE1 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 386 weight 0.11000E+01 volume 4.16280 ppm1 8.6448345 ppm2 0.0981646
  OR ( resid 9 and name HE1 )
     ( resid 17 and name HD23 )
  OR ( resid 9 and name HE1 )
     ( resid 17 and name HD21 )
ASSI ( resid 3 and name HN )
     ( resid 3 and name HB1 )
     6.0 0.1 0.1 peak 387 weight 0.11000E+01 volume 110.25780 ppm1 8.4329863 ppm2 3.3781583
  OR ( resid 3 and name HN )
     ( resid 33 and name HD2 )
  OR ( resid 32 and name HN )
     ( resid 3 and name HB1 )
  OR ( resid 32 and name HN )
     ( resid 33 and name HD2 )
ASSI ( resid 3 and name HN )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 388 weight 0.11000E+01 volume 206.61121 ppm1 8.4277792 ppm2 3.2420597
ASSI ( resid 3 and name HN )
     ( resid 2 and name HB2 )
     6.0 0.1 0.1 peak 389 weight 0.11000E+01 volume 87.74100 ppm1 8.4275751 ppm2 3.0972433
ASSI ( resid 16 and name HN )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 390 weight 0.11000E+01 volume 120.48540 ppm1 8.3463545 ppm2 3.4797301
ASSI ( resid 26 and name HN )
     ( resid 26 and name HB1 )
     6.0 0.1 0.1 peak 391 weight 0.11000E+01 volume 133.20360 ppm1 8.3191166 ppm2 3.3395596
  OR ( resid 25 and name HN )
     ( resid 26 and name HB1 )
ASSI ( resid 24 and name HN )
     ( resid 25 and name HA2 )
     6.0 0.1 0.1 peak 392 weight 0.11000E+01 volume 11.35290 ppm1 8.2349987 ppm2 3.3910923
ASSI ( resid 26 and name HN )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 393 weight 0.11000E+01 volume 167.78931 ppm1 8.3165283 ppm2 3.2135777
  OR ( resid 25 and name HN )
     ( resid 26 and name HB2 )
ASSI ( resid 25 and name HN )
     ( resid 24 and name HB1 )
     6.0 0.1 0.1 peak 394 weight 0.11000E+01 volume 140.45261 ppm1 8.3075304 ppm2 3.0841146
  OR ( resid 26 and name HN )
     ( resid 24 and name HB1 )
ASSI ( resid 25 and name HN )
     ( resid 24 and name HB2 )
     6.0 0.1 0.1 peak 395 weight 0.11000E+01 volume 131.03030 ppm1 8.3074169 ppm2 2.9887507
  OR ( resid 26 and name HN )
     ( resid 24 and name HB2 )
ASSI ( resid 24 and name HN )
     ( resid 24 and name HB2 )
     6.0 0.1 0.1 peak 396 weight 0.11000E+01 volume 246.33490 ppm1 8.2367334 ppm2 2.9888146
ASSI ( resid 24 and name HN )
     ( resid 24 and name HB1 )
     6.0 0.1 0.1 peak 397 weight 0.11000E+01 volume 310.74759 ppm1 8.2368813 ppm2 3.0842619
ASSI ( resid 24 and name HN )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 398 weight 0.11000E+01 volume 408.60400 ppm1 8.2367306 ppm2 3.1935821
  OR ( resid 24 and name HN )
     ( resid 23 and name HB1 )
ASSI ( resid 16 and name HN )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 399 weight 0.11000E+01 volume 129.34911 ppm1 8.3457794 ppm2 3.2693946
ASSI ( resid 3 and name HN )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 400 weight 0.11000E+01 volume 113.60800 ppm1 8.4276905 ppm2 2.8413122
ASSI ( resid 15 and name HN )
     ( resid 14 and name HD2 )
     6.0 0.1 0.1 peak 401 weight 0.11000E+01 volume 15.29620 ppm1 8.3458080 ppm2 2.8735068
  OR ( resid 16 and name HN )
     ( resid 14 and name HD2 )
ASSI ( resid 26 and name HN )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 402 weight 0.11000E+01 volume 12.88890 ppm1 8.3132639 ppm2 2.7811768
  OR ( resid 26 and name HN )
     ( resid 27 and name HD1 )
  OR ( resid 25 and name HN )
     ( resid 27 and name HD2 )
  OR ( resid 25 and name HN )
     ( resid 27 and name HD1 )
ASSI ( resid 24 and name HN )
     ( resid 27 and name HD1 )
     6.0 0.1 0.1 peak 403 weight 0.11000E+01 volume 17.84400 ppm1 8.2355518 ppm2 2.7834921
  OR ( resid 24 and name HN )
     ( resid 27 and name HD2 )
ASSI ( resid 32 and name HN )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 404 weight 0.11000E+01 volume 320.61761 ppm1 8.4441833 ppm2 2.6501586
ASSI ( resid 32 and name HN )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 405 weight 0.11000E+01 volume 187.86459 ppm1 8.4437323 ppm2 2.5864210
ASSI ( resid 15 and name HN )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 406 weight 0.11000E+01 volume 13.09660 ppm1 8.3456850 ppm2 2.5412583
ASSI ( resid 24 and name HN )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 407 weight 0.11000E+01 volume 8.15500 ppm1 8.2366314 ppm2 2.5153887
ASSI ( resid 16 and name HE1 )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 408 weight 0.11000E+01 volume 23.15410 ppm1 8.4964428 ppm2 2.2975295
ASSI ( resid 16 and name HN )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 409 weight 0.11000E+01 volume 144.13969 ppm1 8.3449297 ppm2 2.2986457
  OR ( resid 15 and name HN )
     ( resid 14 and name HB1 )
ASSI ( resid 4 and name HN )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 410 weight 0.11000E+01 volume 272.70929 ppm1 8.5280218 ppm2 1.8236891
ASSI ( resid 13 and name HN )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 411 weight 0.11000E+01 volume 37.03220 ppm1 8.5479345 ppm2 1.6865696
ASSI ( resid 16 and name HE1 )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 412 weight 0.11000E+01 volume 103.60140 ppm1 8.4970207 ppm2 1.7479913
ASSI ( resid 3 and name HN )
     ( resid 1 and name HB1 )
     6.0 0.1 0.1 peak 413 weight 0.11000E+01 volume 23.48270 ppm1 8.4273958 ppm2 1.6242142
  OR ( resid 3 and name HN )
     ( resid 1 and name HB2 )
ASSI ( resid 4 and name HN )
     ( resid 4 and name HB2 )
     6.0 0.1 0.1 peak 414 weight 0.11000E+01 volume 359.16190 ppm1 8.5287628 ppm2 1.7524165
  OR ( resid 4 and name HN )
     ( resid 4 and name HD1 )
  OR ( resid 4 and name HN )
     ( resid 4 and name HD2 )
ASSI ( resid 13 and name HN )
     ( resid 14 and name HG1 )
     6.0 0.1 0.1 peak 415 weight 0.11000E+01 volume 5.08990 ppm1 8.5495510 ppm2 1.5574577
  OR ( resid 13 and name HN )
     ( resid 14 and name HG2 )
ASSI ( resid 4 and name HN )
     ( resid 4 and name HG1 )
     6.0 0.1 0.1 peak 416 weight 0.11000E+01 volume 54.05260 ppm1 8.5280085 ppm2 1.4516627
ASSI ( resid 7 and name HN )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 417 weight 0.11000E+01 volume 52.37750 ppm1 8.5543146 ppm2 1.3889164
ASSI ( resid 4 and name HN )
     ( resid 4 and name HG2 )
     6.0 0.1 0.1 peak 418 weight 0.11000E+01 volume 44.05820 ppm1 8.5291281 ppm2 1.3565055
ASSI ( resid 32 and name HN )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 419 weight 0.11000E+01 volume 267.28210 ppm1 8.4460526 ppm2 1.3920994
ASSI ( resid 13 and name HN )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 420 weight 0.11000E+01 volume 7.44060 ppm1 8.5473137 ppm2 1.1442169
  OR ( resid 13 and name HN )
     ( resid 27 and name HG2 )
  OR ( resid 11 and name HN )
     ( resid 17 and name HB2 )
  OR ( resid 11 and name HN )
     ( resid 27 and name HG2 )
ASSI ( resid 16 and name HN )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 421 weight 0.11000E+01 volume 196.63361 ppm1 8.3449640 ppm2 1.7505091
  OR ( resid 15 and name HN )
     ( resid 14 and name HB2 )
ASSI ( resid 26 and name HN )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 422 weight 0.11000E+01 volume 32.54040 ppm1 8.3146839 ppm2 1.6234802
ASSI ( resid 15 and name HN )
     ( resid 14 and name HG1 )
     6.0 0.1 0.1 peak 423 weight 0.11000E+01 volume 22.71670 ppm1 8.3438082 ppm2 1.5628781
  OR ( resid 15 and name HN )
     ( resid 14 and name HG2 )
  OR ( resid 16 and name HN )
     ( resid 14 and name HG1 )
  OR ( resid 16 and name HN )
     ( resid 14 and name HG2 )
ASSI ( resid 26 and name HN )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 424 weight 0.11000E+01 volume 27.99410 ppm1 8.3116875 ppm2 1.5104480
  OR ( resid 26 and name HN )
     ( resid 27 and name HB2 )
  OR ( resid 25 and name HN )
     ( resid 27 and name HB1 )
  OR ( resid 25 and name HN )
     ( resid 27 and name HB2 )
ASSI ( resid 24 and name HN )
     ( resid 1 and name HG )
     6.0 0.1 0.1 peak 425 weight 0.11000E+01 volume 12.76980 ppm1 8.2355490 ppm2 1.6208198
  OR ( resid 24 and name HN )
     ( resid 1 and name HB2 )
  OR ( resid 24 and name HN )
     ( resid 1 and name HB1 )
ASSI ( resid 24 and name HN )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 426 weight 0.11000E+01 volume 34.99740 ppm1 8.2350998 ppm2 1.5165348
  OR ( resid 24 and name HN )
     ( resid 27 and name HB2 )
ASSI ( resid 16 and name HN )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 427 weight 0.11000E+01 volume 12.93930 ppm1 8.3464403 ppm2 1.3315908
ASSI ( resid 26 and name HN )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 428 weight 0.11000E+01 volume 9.20600 ppm1 8.3179083 ppm2 1.1339374
ASSI ( resid 16 and name HE1 )
     ( resid 14 and name HG1 )
     6.0 0.1 0.1 peak 429 weight 0.11000E+01 volume 10.54980 ppm1 8.4958706 ppm2 1.5618947
  OR ( resid 16 and name HE1 )
     ( resid 14 and name HG2 )
ASSI ( resid 16 and name HN )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 430 weight 0.11000E+01 volume 21.03140 ppm1 8.3460560 ppm2 0.9866818
ASSI ( resid 16 and name HE1 )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 431 weight 0.11000E+01 volume 4.65200 ppm1 8.4954157 ppm2 0.9858945
ASSI ( resid 32 and name HN )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 432 weight 0.11000E+01 volume 8.89060 ppm1 8.4391890 ppm2 0.5717510
  OR ( resid 32 and name HN )
     ( resid 20 and name HG21 )
  OR ( resid 32 and name HN )
     ( resid 20 and name HG23 )
ASSI ( resid 7 and name HN )
     ( resid 20 and name HG23 )
     6.0 0.1 0.1 peak 433 weight 0.11000E+01 volume 9.65270 ppm1 8.5578594 ppm2 0.5746813
  OR ( resid 7 and name HN )
     ( resid 20 and name HG21 )
  OR ( resid 7 and name HN )
     ( resid 20 and name HG22 )
ASSI ( resid 7 and name HN )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 434 weight 0.11000E+01 volume 16.55840 ppm1 8.5531435 ppm2 0.3537847
  OR ( resid 7 and name HN )
     ( resid 17 and name HD11 )
  OR ( resid 7 and name HN )
     ( resid 17 and name HD13 )
ASSI ( resid 4 and name HN )
     ( resid 20 and name HG23 )
     6.0 0.1 0.1 peak 435 weight 0.11000E+01 volume 5.96610 ppm1 8.5274906 ppm2 0.5717510
  OR ( resid 4 and name HN )
     ( resid 20 and name HG21 )
  OR ( resid 4 and name HN )
     ( resid 20 and name HG22 )
ASSI ( resid 32 and name HN )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 436 weight 0.11000E+01 volume 5.77140 ppm1 8.4471397 ppm2 0.3551153
  OR ( resid 32 and name HN )
     ( resid 17 and name HD12 )
  OR ( resid 32 and name HN )
     ( resid 17 and name HD13 )
ASSI ( resid 16 and name HN )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 437 weight 0.11000E+01 volume 21.18170 ppm1 8.3440981 ppm2 0.3524466
  OR ( resid 16 and name HN )
     ( resid 17 and name HD12 )
  OR ( resid 16 and name HN )
     ( resid 17 and name HD13 )
ASSI ( resid 16 and name HE1 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 438 weight 0.11000E+01 volume 9.24190 ppm1 8.4958735 ppm2 0.3525342
  OR ( resid 16 and name HE1 )
     ( resid 17 and name HD11 )
  OR ( resid 16 and name HE1 )
     ( resid 17 and name HD13 )
ASSI ( resid 7 and name HN )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 439 weight 0.11000E+01 volume 6.71570 ppm1 8.5540991 ppm2 0.1032058
  OR ( resid 7 and name HN )
     ( resid 17 and name HD23 )
  OR ( resid 7 and name HN )
     ( resid 17 and name HD21 )
ASSI ( resid 16 and name HE1 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 440 weight 0.11000E+01 volume 5.67070 ppm1 8.4982452 ppm2 0.1068364
  OR ( resid 16 and name HE1 )
     ( resid 17 and name HD23 )
  OR ( resid 16 and name HE1 )
     ( resid 17 and name HD21 )
ASSI ( resid 32 and name HN )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 441 weight 0.11000E+01 volume 39.89710 ppm1 8.4434900 ppm2 0.1010207
  OR ( resid 32 and name HN )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HN )
     ( resid 17 and name HD23 )
ASSI ( resid 16 and name HN )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 442 weight 0.11000E+01 volume 10.58450 ppm1 8.3473587 ppm2 0.0992019
  OR ( resid 16 and name HN )
     ( resid 17 and name HD23 )
  OR ( resid 16 and name HN )
     ( resid 17 and name HD21 )
ASSI ( resid 25 and name HN )
     ( resid 25 and name HA2 )
     6.0 0.1 0.1 peak 443 weight 0.11000E+01 volume 724.96191 ppm1 8.3085527 ppm2 3.3966649
  OR ( resid 26 and name HN )
     ( resid 25 and name HA2 )
ASSI ( resid 12 and name HN )
     ( resid 11 and name HA2 )
     6.0 0.1 0.1 peak 444 weight 0.11000E+01 volume 154.24049 ppm1 7.9984436 ppm2 3.4408190
ASSI ( resid 35 and name HN )
     ( resid 34 and name HB2 )
     6.0 0.1 0.1 peak 445 weight 0.11000E+01 volume 144.03000 ppm1 8.0474234 ppm2 3.3177004
  OR ( resid 35 and name HN )
     ( resid 34 and name HB1 )
ASSI ( resid 12 and name HN )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 446 weight 0.11000E+01 volume 11.31440 ppm1 8.0004482 ppm2 3.3147638
ASSI ( resid 23 and name HN )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 447 weight 0.11000E+01 volume 227.01010 ppm1 8.0126648 ppm2 3.1814103
  OR ( resid 23 and name HN )
     ( resid 23 and name HB1 )
ASSI ( resid 12 and name HN )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 448 weight 0.11000E+01 volume 13.53040 ppm1 7.9998922 ppm2 3.0076637
ASSI ( resid 35 and name HN )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 449 weight 0.11000E+01 volume 112.19120 ppm1 8.0472956 ppm2 2.7252343
ASSI ( resid 35 and name HN )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 450 weight 0.11000E+01 volume 246.63310 ppm1 8.0514622 ppm2 2.5849741
  OR ( resid 35 and name HN )
     ( resid 32 and name HB2 )
ASSI ( resid 12 and name HN )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 451 weight 0.11000E+01 volume 8.72610 ppm1 8.0006609 ppm2 2.5393538
ASSI ( resid 23 and name HN )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 452 weight 0.11000E+01 volume 21.88180 ppm1 8.0118732 ppm2 2.4673588
ASSI ( resid 35 and name HN )
     ( resid 33 and name HB2 )
     6.0 0.1 0.1 peak 453 weight 0.11000E+01 volume 11.76320 ppm1 8.0493784 ppm2 2.1577826
  OR ( resid 35 and name HN )
     ( resid 33 and name HB1 )
ASSI ( resid 35 and name HN )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 454 weight 0.11000E+01 volume 33.38600 ppm1 8.0493784 ppm2 1.8887922
ASSI ( resid 23 and name HN )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 455 weight 0.11000E+01 volume 7.24300 ppm1 8.0144777 ppm2 1.6226311
ASSI ( resid 23 and name HN )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 456 weight 0.11000E+01 volume 80.20240 ppm1 8.0144777 ppm2 1.5180842
  OR ( resid 23 and name HN )
     ( resid 27 and name HB2 )
ASSI ( resid 35 and name HN )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 457 weight 0.11000E+01 volume 16.01090 ppm1 8.0488577 ppm2 1.3917568
ASSI ( resid 35 and name HN )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 458 weight 0.11000E+01 volume 23.89610 ppm1 8.0483265 ppm2 1.3008828
ASSI ( resid 24 and name HN )
     ( resid 1 and name HD23 )
     6.0 0.1 0.1 peak 459 weight 0.11000E+01 volume 17.07000 ppm1 8.2359819 ppm2 0.9045002
  OR ( resid 24 and name HN )
     ( resid 1 and name HD21 )
  OR ( resid 24 and name HN )
     ( resid 1 and name HD22 )
ASSI ( resid 35 and name HN )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 460 weight 0.11000E+01 volume 5.64600 ppm1 8.0497923 ppm2 0.7502284
ASSI ( resid 35 and name HD21 )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 461 weight 0.11000E+01 volume 76.09720 ppm1 7.6130409 ppm2 2.7246282
ASSI ( resid 36 and name HN )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 462 weight 0.11000E+01 volume 102.46640 ppm1 7.6344562 ppm2 2.7251480
  OR ( resid 34 and name HE3 )
     ( resid 35 and name HB1 )
ASSI ( resid 34 and name HE3 )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 463 weight 0.11000E+01 volume 13.74770 ppm1 7.6162357 ppm2 2.6540098
  OR ( resid 35 and name HD21 )
     ( resid 32 and name HB1 )
ASSI ( resid 17 and name HN )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 464 weight 0.11000E+01 volume 67.50250 ppm1 7.7108221 ppm2 2.5411568
  OR ( resid 17 and name HN )
     ( resid 13 and name HB1 )
ASSI ( resid 17 and name HN )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 465 weight 0.11000E+01 volume 32.47110 ppm1 7.7111807 ppm2 2.6272893
ASSI ( resid 36 and name HN )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 466 weight 0.11000E+01 volume 58.13140 ppm1 7.6381464 ppm2 2.5881627
ASSI ( resid 35 and name HD21 )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 467 weight 0.11000E+01 volume 177.79170 ppm1 7.6141930 ppm2 2.5848317
  OR ( resid 34 and name HE3 )
     ( resid 35 and name HB2 )
ASSI ( resid 32 and name HE3 )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 468 weight 0.11000E+01 volume 148.04311 ppm1 7.5463967 ppm2 2.6463752
ASSI ( resid 32 and name HE3 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 469 weight 0.11000E+01 volume 163.42830 ppm1 7.5459695 ppm2 2.5837235
ASSI ( resid 21 and name HN )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 470 weight 0.11000E+01 volume 69.33320 ppm1 7.5442104 ppm2 2.4693038
ASSI ( resid 21 and name HN )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 471 weight 0.11000E+01 volume 129.23830 ppm1 7.5437346 ppm2 2.3970816
ASSI ( resid 17 and name HN )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 472 weight 0.11000E+01 volume 7.09590 ppm1 7.7111807 ppm2 2.2961457
ASSI ( resid 34 and name HE3 )
     ( resid 33 and name HB2 )
     6.0 0.1 0.1 peak 473 weight 0.11000E+01 volume 21.43530 ppm1 7.6272659 ppm2 2.1498675
ASSI ( resid 17 and name HN )
     ( resid 33 and name HG1 )
     6.0 0.1 0.1 peak 474 weight 0.11000E+01 volume 2.61650 ppm1 7.7152891 ppm2 1.8988743
ASSI ( resid 21 and name HN )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 475 weight 0.11000E+01 volume 58.20950 ppm1 7.5436578 ppm2 1.9046001
  OR ( resid 21 and name HN )
     ( resid 33 and name HG1 )
  OR ( resid 21 and name HN )
     ( resid 33 and name HG2 )
  OR ( resid 32 and name HE3 )
     ( resid 19 and name HB1 )
  OR ( resid 32 and name HE3 )
     ( resid 33 and name HG1 )
  OR ( resid 32 and name HE3 )
     ( resid 33 and name HG2 )
ASSI ( resid 17 and name HN )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 476 weight 0.11000E+01 volume 34.25640 ppm1 7.7101278 ppm2 1.7494116
ASSI ( resid 6 and name HN )
     ( resid 4 and name HB2 )
     6.0 0.1 0.1 peak 477 weight 0.11000E+01 volume 19.73940 ppm1 7.6234827 ppm2 1.7419201
ASSI ( resid 21 and name HN )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 478 weight 0.11000E+01 volume 72.13670 ppm1 7.5433626 ppm2 1.6935191
ASSI ( resid 36 and name HN )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 479 weight 0.11000E+01 volume 114.23150 ppm1 7.6285605 ppm2 1.8893312
ASSI ( resid 17 and name HN )
     ( resid 14 and name HG2 )
     6.0 0.1 0.1 peak 480 weight 0.11000E+01 volume 13.52480 ppm1 7.7103963 ppm2 1.5616567
ASSI ( resid 21 and name HN )
     ( resid 19 and name HD2 )
     6.0 0.1 0.1 peak 481 weight 0.11000E+01 volume 151.84660 ppm1 7.5439053 ppm2 1.5467600
  OR ( resid 21 and name HN )
     ( resid 19 and name HD1 )
ASSI ( resid 17 and name HN )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 482 weight 0.11000E+01 volume 318.64740 ppm1 7.7134414 ppm2 1.3268192
ASSI ( resid 36 and name HN )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 483 weight 0.11000E+01 volume 293.02899 ppm1 7.6385145 ppm2 1.3012069
ASSI ( resid 6 and name HN )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 484 weight 0.11000E+01 volume 62.01510 ppm1 7.6250429 ppm2 1.3883213
ASSI ( resid 21 and name HN )
     ( resid 19 and name HG2 )
     6.0 0.1 0.1 peak 485 weight 0.11000E+01 volume 259.66541 ppm1 7.5440874 ppm2 1.3748487
  OR ( resid 21 and name HN )
     ( resid 19 and name HG1 )
ASSI ( resid 17 and name HN )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 486 weight 0.11000E+01 volume 124.64980 ppm1 7.7124424 ppm2 1.1389672
ASSI ( resid 17 and name HN )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 487 weight 0.11000E+01 volume 203.48820 ppm1 7.7124424 ppm2 0.9890852
ASSI ( resid 32 and name HE3 )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 488 weight 0.11000E+01 volume 20.49950 ppm1 7.5455723 ppm2 0.9888157
ASSI ( resid 21 and name HN )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 489 weight 0.11000E+01 volume 47.53450 ppm1 7.5441155 ppm2 0.8684179
  OR ( resid 21 and name HN )
     ( resid 20 and name HG12 )
  OR ( resid 21 and name HN )
     ( resid 20 and name HG13 )
ASSI ( resid 32 and name HE3 )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 490 weight 0.11000E+01 volume 4.77880 ppm1 7.5451012 ppm2 0.8084982
ASSI ( resid 32 and name HE3 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 491 weight 0.11000E+01 volume 3.97730 ppm1 7.5432820 ppm2 0.7499477
ASSI ( resid 6 and name HN )
     ( resid 20 and name HG12 )
     6.0 0.1 0.1 peak 492 weight 0.11000E+01 volume 16.21260 ppm1 7.6306009 ppm2 0.8709423
  OR ( resid 6 and name HN )
     ( resid 20 and name HG13 )
  OR ( resid 6 and name HN )
     ( resid 20 and name HG11 )
ASSI ( resid 34 and name HE3 )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 493 weight 0.11000E+01 volume 4.69110 ppm1 7.6272659 ppm2 0.8089687
ASSI ( resid 6 and name HN )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 494 weight 0.11000E+01 volume 14.58110 ppm1 7.6272659 ppm2 0.7485443
  OR ( resid 34 and name HE3 )
     ( resid 18 and name HD11 )
ASSI ( resid 17 and name HN )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 495 weight 0.11000E+01 volume 4.25530 ppm1 7.7126174 ppm2 0.8071447
ASSI ( resid 6 and name HN )
     ( resid 20 and name HG23 )
     6.0 0.1 0.1 peak 496 weight 0.11000E+01 volume 24.76730 ppm1 7.6257839 ppm2 0.5725818
  OR ( resid 6 and name HN )
     ( resid 20 and name HG21 )
  OR ( resid 6 and name HN )
     ( resid 20 and name HG22 )
ASSI ( resid 21 and name HN )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 497 weight 0.11000E+01 volume 131.04230 ppm1 7.5436502 ppm2 0.5724279
  OR ( resid 21 and name HN )
     ( resid 20 and name HG23 )
  OR ( resid 21 and name HN )
     ( resid 20 and name HG22 )
ASSI ( resid 17 and name HN )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 498 weight 0.11000E+01 volume 79.64650 ppm1 7.7104993 ppm2 0.3529904
  OR ( resid 17 and name HN )
     ( resid 17 and name HD12 )
  OR ( resid 17 and name HN )
     ( resid 17 and name HD13 )
ASSI ( resid 6 and name HN )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 499 weight 0.11000E+01 volume 7.78280 ppm1 7.6224489 ppm2 0.3548994
  OR ( resid 6 and name HN )
     ( resid 17 and name HD11 )
  OR ( resid 6 and name HN )
     ( resid 17 and name HD13 )
ASSI ( resid 32 and name HE3 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 500 weight 0.11000E+01 volume 26.61520 ppm1 7.5456419 ppm2 0.3520800
  OR ( resid 32 and name HE3 )
     ( resid 17 and name HD12 )
  OR ( resid 32 and name HE3 )
     ( resid 17 and name HD13 )
ASSI ( resid 17 and name HN )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 501 weight 0.11000E+01 volume 61.76430 ppm1 7.7132320 ppm2 0.0999204
  OR ( resid 17 and name HN )
     ( resid 17 and name HD21 )
  OR ( resid 17 and name HN )
     ( resid 17 and name HD23 )
ASSI ( resid 6 and name HN )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 502 weight 0.11000E+01 volume 5.23230 ppm1 7.6246724 ppm2 0.1006951
  OR ( resid 6 and name HN )
     ( resid 17 and name HD23 )
  OR ( resid 6 and name HN )
     ( resid 17 and name HD21 )
ASSI ( resid 32 and name HE3 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 503 weight 0.11000E+01 volume 133.80040 ppm1 7.5456152 ppm2 0.0994263
  OR ( resid 32 and name HE3 )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HE3 )
     ( resid 17 and name HD23 )
ASSI ( resid 2 and name HE2 )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 504 weight 0.11000E+01 volume 20.63040 ppm1 7.3610682 ppm2 2.3578880
ASSI ( resid 34 and name HN )
     ( resid 33 and name HB2 )
     6.0 0.1 0.1 peak 505 weight 0.11000E+01 volume 41.90700 ppm1 7.2991858 ppm2 2.1516974
  OR ( resid 34 and name HN )
     ( resid 33 and name HB1 )
ASSI ( resid 21 and name HN )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 506 weight 0.11000E+01 volume 6.91130 ppm1 7.4985733 ppm2 1.8973842
  OR ( resid 21 and name HN )
     ( resid 33 and name HG1 )
  OR ( resid 21 and name HN )
     ( resid 33 and name HG2 )
  OR ( resid 32 and name HZ2 )
     ( resid 19 and name HB1 )
  OR ( resid 32 and name HZ2 )
     ( resid 33 and name HG1 )
  OR ( resid 32 and name HZ2 )
     ( resid 33 and name HG2 )
ASSI ( resid 2 and name HD1 )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 507 weight 0.11000E+01 volume 7.65190 ppm1 7.3635635 ppm2 1.8368331
ASSI ( resid 34 and name HN )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 508 weight 0.11000E+01 volume 131.84950 ppm1 7.3004885 ppm2 1.8913506
  OR ( resid 34 and name HN )
     ( resid 33 and name HG1 )
ASSI ( resid 10 and name HE2 )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 509 weight 0.11000E+01 volume 26.40130 ppm1 7.4489245 ppm2 1.6206181
ASSI ( resid 10 and name HE2 )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 510 weight 0.11000E+01 volume 16.03930 ppm1 7.4466572 ppm2 1.5402679
  OR ( resid 10 and name HE2 )
     ( resid 27 and name HB2 )
  OR ( resid 10 and name HE1 )
     ( resid 27 and name HB1 )
  OR ( resid 10 and name HE1 )
     ( resid 27 and name HB2 )
ASSI ( resid 10 and name HZ )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 511 weight 0.11000E+01 volume 5.50770 ppm1 7.4026995 ppm2 1.6245608
ASSI ( resid 2 and name HD1 )
     ( resid 1 and name HB1 )
     6.0 0.1 0.1 peak 512 weight 0.11000E+01 volume 48.35400 ppm1 7.3578281 ppm2 1.6257186
  OR ( resid 2 and name HD1 )
     ( resid 1 and name HB2 )
  OR ( resid 2 and name HD1 )
     ( resid 1 and name HG )
ASSI ( resid 10 and name HD1 )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 513 weight 0.11000E+01 volume 75.05640 ppm1 7.3006034 ppm2 1.6201274
  OR ( resid 10 and name HD2 )
     ( resid 27 and name HG1 )
ASSI ( resid 10 and name HD2 )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 514 weight 0.11000E+01 volume 23.86300 ppm1 7.3009739 ppm2 1.5085750
  OR ( resid 10 and name HD2 )
     ( resid 27 and name HB2 )
ASSI ( resid 2 and name HD1 )
     ( resid 4 and name HG2 )
     6.0 0.1 0.1 peak 515 weight 0.11000E+01 volume 32.51370 ppm1 7.3574257 ppm2 1.3616008
  OR ( resid 2 and name HD2 )
     ( resid 4 and name HG2 )
ASSI ( resid 2 and name HD1 )
     ( resid 4 and name HG1 )
     6.0 0.1 0.1 peak 516 weight 0.11000E+01 volume 11.67540 ppm1 7.3602180 ppm2 1.4593889
  OR ( resid 2 and name HD2 )
     ( resid 4 and name HG1 )
ASSI ( resid 34 and name HN )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 517 weight 0.11000E+01 volume 10.43150 ppm1 7.2998304 ppm2 1.3900615
ASSI ( resid 34 and name HN )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 518 weight 0.11000E+01 volume 6.56760 ppm1 7.2987833 ppm2 1.3010305
ASSI ( resid 10 and name HD2 )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 519 weight 0.11000E+01 volume 94.10340 ppm1 7.2998304 ppm2 1.1303784
ASSI ( resid 10 and name HZ )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 520 weight 0.11000E+01 volume 5.69120 ppm1 7.3597450 ppm2 1.1292942
ASSI ( resid 10 and name HE2 )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 521 weight 0.11000E+01 volume 21.09310 ppm1 7.4490862 ppm2 1.1301837
ASSI ( resid 2 and name HE1 )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 522 weight 0.11000E+01 volume 20.68120 ppm1 7.4041142 ppm2 0.8723782
  OR ( resid 2 and name HE1 )
     ( resid 20 and name HG12 )
  OR ( resid 2 and name HE1 )
     ( resid 20 and name HG13 )
ASSI ( resid 2 and name HD1 )
     ( resid 1 and name HD21 )
     6.0 0.1 0.1 peak 523 weight 0.11000E+01 volume 69.24560 ppm1 7.3546333 ppm2 0.9021874
ASSI ( resid 26 and name HE2 )
     ( resid 1 and name HD23 )
     6.0 0.1 0.1 peak 524 weight 0.11000E+01 volume 21.61650 ppm1 7.3185215 ppm2 0.9023558
ASSI ( resid 34 and name HN )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 525 weight 0.11000E+01 volume 22.06010 ppm1 7.2991323 ppm2 0.7518563
ASSI ( resid 2 and name HE1 )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 526 weight 0.11000E+01 volume 14.22900 ppm1 7.4021053 ppm2 0.5696403
ASSI ( resid 2 and name HD1 )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 527 weight 0.11000E+01 volume 16.88760 ppm1 7.3535857 ppm2 0.5732892
  OR ( resid 2 and name HD1 )
     ( resid 20 and name HG23 )
ASSI ( resid 32 and name HZ2 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 528 weight 0.11000E+01 volume 16.25360 ppm1 7.4984465 ppm2 0.3536307
  OR ( resid 32 and name HZ2 )
     ( resid 17 and name HD12 )
  OR ( resid 32 and name HZ2 )
     ( resid 17 and name HD13 )
ASSI ( resid 32 and name HZ2 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 529 weight 0.11000E+01 volume 25.37250 ppm1 7.4967012 ppm2 0.0991682
  OR ( resid 32 and name HZ2 )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HZ2 )
     ( resid 17 and name HD23 )
ASSI ( resid 34 and name HN )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 530 weight 0.11000E+01 volume 5.03360 ppm1 7.2956419 ppm2 0.0918706
  OR ( resid 34 and name HN )
     ( resid 17 and name HD22 )
  OR ( resid 34 and name HN )
     ( resid 17 and name HD23 )
ASSI ( resid 16 and name HD2 )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 531 weight 0.11000E+01 volume 4.15950 ppm1 7.0997696 ppm2 2.2939789
ASSI ( resid 34 and name HD1 )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 532 weight 0.11000E+01 volume 14.63420 ppm1 7.2077694 ppm2 1.8933055
  OR ( resid 34 and name HD1 )
     ( resid 33 and name HG1 )
  OR ( resid 32 and name HD1 )
     ( resid 33 and name HG2 )
  OR ( resid 32 and name HD1 )
     ( resid 33 and name HG1 )
ASSI ( resid 34 and name HD1 )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 533 weight 0.11000E+01 volume 33.66830 ppm1 7.1647058 ppm2 1.8923962
  OR ( resid 34 and name HD1 )
     ( resid 33 and name HG1 )
ASSI ( resid 32 and name HZ3 )
     ( resid 33 and name HG1 )
     6.0 0.1 0.1 peak 534 weight 0.11000E+01 volume 60.28510 ppm1 7.1149244 ppm2 1.8923315
  OR ( resid 32 and name HZ3 )
     ( resid 33 and name HG2 )
ASSI ( resid 34 and name HZ3 )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 535 weight 0.11000E+01 volume 18.91420 ppm1 7.1184216 ppm2 1.6925535
ASSI ( resid 24 and name HD1 )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 536 weight 0.11000E+01 volume 25.04860 ppm1 7.2129893 ppm2 1.6250337
ASSI ( resid 27 and name HN )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 537 weight 0.11000E+01 volume 125.38560 ppm1 7.1717505 ppm2 1.6233112
ASSI ( resid 27 and name HN )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 538 weight 0.11000E+01 volume 271.22980 ppm1 7.1721005 ppm2 1.5131780
  OR ( resid 27 and name HN )
     ( resid 27 and name HB2 )
ASSI ( resid 9 and name HD2 )
     ( resid 14 and name HG2 )
     6.0 0.1 0.1 peak 539 weight 0.11000E+01 volume 24.93990 ppm1 7.1055479 ppm2 1.5631949
ASSI ( resid 32 and name HD1 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 540 weight 0.11000E+01 volume 19.31280 ppm1 7.2046623 ppm2 1.3898275
ASSI ( resid 34 and name HH2 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 541 weight 0.11000E+01 volume 14.55140 ppm1 7.1650281 ppm2 1.3027146
ASSI ( resid 34 and name HH2 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 542 weight 0.11000E+01 volume 11.97190 ppm1 7.1661725 ppm2 1.3895959
ASSI ( resid 34 and name HZ3 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 543 weight 0.11000E+01 volume 49.58230 ppm1 7.1156955 ppm2 1.3894449
ASSI ( resid 34 and name HZ3 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 544 weight 0.11000E+01 volume 5.70320 ppm1 7.1223350 ppm2 1.3052408
ASSI ( resid 34 and name HZ2 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 545 weight 0.11000E+01 volume 7.45740 ppm1 7.0545135 ppm2 1.3020858
ASSI ( resid 34 and name HZ2 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 546 weight 0.11000E+01 volume 10.42350 ppm1 7.0541177 ppm2 1.3893991
ASSI ( resid 34 and name HZ3 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 547 weight 0.11000E+01 volume 15.48220 ppm1 7.1055503 ppm2 1.3150250
ASSI ( resid 27 and name HN )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 548 weight 0.11000E+01 volume 52.40490 ppm1 7.1716332 ppm2 1.1308612
ASSI ( resid 9 and name HD2 )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 549 weight 0.11000E+01 volume 14.74960 ppm1 7.1061792 ppm2 1.1399746
  OR ( resid 9 and name HD2 )
     ( resid 27 and name HG2 )
ASSI ( resid 24 and name HD1 )
     ( resid 1 and name HD21 )
     6.0 0.1 0.1 peak 550 weight 0.11000E+01 volume 60.46290 ppm1 7.2112813 ppm2 0.9239680
  OR ( resid 24 and name HD1 )
     ( resid 1 and name HD11 )
  OR ( resid 24 and name HD1 )
     ( resid 1 and name HD22 )
  OR ( resid 24 and name HD1 )
     ( resid 1 and name HD13 )
  OR ( resid 24 and name HD1 )
     ( resid 1 and name HD23 )
  OR ( resid 24 and name HD1 )
     ( resid 1 and name HD12 )
ASSI ( resid 34 and name HZ3 )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 551 weight 0.11000E+01 volume 6.95410 ppm1 7.1216807 ppm2 0.9926460
ASSI ( resid 9 and name HD2 )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 552 weight 0.11000E+01 volume 33.12490 ppm1 7.0978141 ppm2 0.9881348
ASSI ( resid 34 and name HH2 )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 553 weight 0.11000E+01 volume 10.69680 ppm1 7.1612239 ppm2 0.8671144
  OR ( resid 34 and name HH2 )
     ( resid 20 and name HG12 )
  OR ( resid 34 and name HH2 )
     ( resid 20 and name HG13 )
ASSI ( resid 34 and name HH2 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 554 weight 0.11000E+01 volume 8.52890 ppm1 7.1621819 ppm2 0.7524177
ASSI ( resid 34 and name HZ3 )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 555 weight 0.11000E+01 volume 29.79820 ppm1 7.1153522 ppm2 0.8679999
  OR ( resid 34 and name HZ3 )
     ( resid 20 and name HG12 )
  OR ( resid 34 and name HZ3 )
     ( resid 20 and name HG13 )
ASSI ( resid 34 and name HZ3 )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 556 weight 0.11000E+01 volume 21.47130 ppm1 7.1171527 ppm2 0.8042308
ASSI ( resid 34 and name HZ3 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 557 weight 0.11000E+01 volume 16.71590 ppm1 7.1133132 ppm2 0.7480391
ASSI ( resid 32 and name HD1 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 558 weight 0.11000E+01 volume 4.51220 ppm1 7.2072053 ppm2 0.7512164
ASSI ( resid 34 and name HH2 )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 559 weight 0.11000E+01 volume 6.43430 ppm1 7.1632290 ppm2 0.8093392
ASSI ( resid 34 and name HH2 )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 560 weight 0.11000E+01 volume 3.09800 ppm1 7.1680126 ppm2 0.5752038
  OR ( resid 34 and name HH2 )
     ( resid 20 and name HG21 )
  OR ( resid 34 and name HH2 )
     ( resid 20 and name HG23 )
ASSI ( resid 9 and name HD2 )
     ( resid 20 and name HG23 )
     6.0 0.1 0.1 peak 561 weight 0.11000E+01 volume 4.68330 ppm1 7.1091242 ppm2 0.5700894
  OR ( resid 9 and name HD2 )
     ( resid 20 and name HG21 )
  OR ( resid 9 and name HD2 )
     ( resid 20 and name HG22 )
ASSI ( resid 32 and name HD1 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 562 weight 0.11000E+01 volume 31.01610 ppm1 7.2058144 ppm2 0.3506555
  OR ( resid 32 and name HD1 )
     ( resid 17 and name HD13 )
  OR ( resid 32 and name HD1 )
     ( resid 17 and name HD12 )
ASSI ( resid 34 and name HH2 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 563 weight 0.11000E+01 volume 6.86440 ppm1 7.1588507 ppm2 0.3551913
ASSI ( resid 9 and name HD2 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 564 weight 0.11000E+01 volume 26.59420 ppm1 7.1278238 ppm2 0.3524519
  OR ( resid 9 and name HD2 )
     ( resid 17 and name HD13 )
  OR ( resid 9 and name HD2 )
     ( resid 17 and name HD12 )
  OR ( resid 27 and name HN )
     ( resid 17 and name HD11 )
  OR ( resid 27 and name HN )
     ( resid 17 and name HD13 )
  OR ( resid 27 and name HN )
     ( resid 17 and name HD12 )
ASSI ( resid 32 and name HD1 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 565 weight 0.11000E+01 volume 73.72010 ppm1 7.2054653 ppm2 0.0997857
  OR ( resid 32 and name HD1 )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HD1 )
     ( resid 17 and name HD23 )
ASSI ( resid 34 and name HD1 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 566 weight 0.11000E+01 volume 10.91980 ppm1 7.1607313 ppm2 0.0963165
  OR ( resid 34 and name HD1 )
     ( resid 17 and name HD22 )
  OR ( resid 34 and name HD1 )
     ( resid 17 and name HD23 )
ASSI ( resid 32 and name HZ3 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 567 weight 0.11000E+01 volume 38.80310 ppm1 7.1268840 ppm2 0.0983711
  OR ( resid 32 and name HZ3 )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HZ3 )
     ( resid 17 and name HD23 )
ASSI ( resid 16 and name HD2 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 568 weight 0.11000E+01 volume 82.08840 ppm1 7.0978589 ppm2 0.1004703
  OR ( resid 16 and name HD2 )
     ( resid 17 and name HD21 )
  OR ( resid 16 and name HD2 )
     ( resid 17 and name HD23 )
ASSI ( resid 9 and name HD2 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 569 weight 0.11000E+01 volume 61.52610 ppm1 7.1055312 ppm2 0.3525349
  OR ( resid 9 and name HD2 )
     ( resid 17 and name HD13 )
  OR ( resid 9 and name HD2 )
     ( resid 17 and name HD11 )
ASSI ( resid 34 and name HZ2 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 570 weight 0.11000E+01 volume 4.21090 ppm1 7.0517168 ppm2 0.3494948
  OR ( resid 34 and name HZ2 )
     ( resid 17 and name HD13 )
  OR ( resid 34 and name HZ2 )
     ( resid 17 and name HD12 )
ASSI ( resid 34 and name HZ2 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 571 weight 0.11000E+01 volume 5.03700 ppm1 7.0539684 ppm2 0.1015921
  OR ( resid 34 and name HZ2 )
     ( resid 17 and name HD22 )
  OR ( resid 34 and name HZ2 )
     ( resid 17 and name HD23 )
ASSI ( resid 27 and name HE )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 572 weight 0.11000E+01 volume 140.44220 ppm1 6.9863129 ppm2 1.6220502
ASSI ( resid 27 and name HE )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 573 weight 0.11000E+01 volume 144.64690 ppm1 6.9861984 ppm2 1.5115746
  OR ( resid 27 and name HE )
     ( resid 27 and name HB1 )
ASSI ( resid 35 and name HD22 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 574 weight 0.11000E+01 volume 6.76780 ppm1 6.9270220 ppm2 1.3889463
ASSI ( resid 27 and name HE )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 575 weight 0.11000E+01 volume 93.58720 ppm1 6.9860768 ppm2 1.1311831
ASSI ( resid 27 and name HE )
     ( resid 1 and name HD21 )
     6.0 0.1 0.1 peak 576 weight 0.11000E+01 volume 22.45690 ppm1 6.9888430 ppm2 0.9222614
  OR ( resid 27 and name HE )
     ( resid 1 and name HD11 )
  OR ( resid 27 and name HE )
     ( resid 1 and name HD22 )
  OR ( resid 27 and name HE )
     ( resid 1 and name HD13 )
  OR ( resid 27 and name HE )
     ( resid 1 and name HD23 )
  OR ( resid 27 and name HE )
     ( resid 1 and name HD12 )
ASSI ( resid 34 and name HZ2 )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 577 weight 0.11000E+01 volume 26.67000 ppm1 7.0537820 ppm2 0.8700176
  OR ( resid 34 and name HZ2 )
     ( resid 20 and name HG12 )
  OR ( resid 34 and name HZ2 )
     ( resid 20 and name HG13 )
ASSI ( resid 34 and name HZ2 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 578 weight 0.11000E+01 volume 7.53020 ppm1 7.0540829 ppm2 0.7505031
ASSI ( resid 31 and name HN )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 579 weight 0.11000E+01 volume 4.39830 ppm1 9.6698303 ppm2 0.7570545
ASSI ( resid 3 and name HN )
     ( resid 1 and name HD11 )
     6.0 0.1 0.1 peak 580 weight 0.11000E+01 volume 6.43710 ppm1 8.4297953 ppm2 0.9310187
ASSI ( resid 16 and name HE1 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 581 weight 0.11000E+01 volume 9.01770 ppm1 8.4981222 ppm2 3.2637765
ASSI ( resid 16 and name HD2 )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 582 weight 0.11000E+01 volume 39.18650 ppm1 7.1053658 ppm2 1.7372754
ASSI ( resid 34 and name HE1 )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 583 weight 0.11000E+01 volume 5.61710 ppm1 10.1523981 ppm2 8.4445162
  OR ( resid 32 and name HE1 )
     ( resid 32 and name HN )
ASSI ( resid 9 and name HN )
     ( resid 10 and name HN )
     6.0 0.1 0.1 peak 584 weight 0.11000E+01 volume 15.35000 ppm1 9.6484318 ppm2 9.1987314
ASSI ( resid 9 and name HN )
     ( resid 28 and name HN )
     6.0 0.1 0.1 peak 585 weight 0.11000E+01 volume 101.94350 ppm1 9.6493206 ppm2 9.0761538
ASSI ( resid 31 and name HN )
     ( resid 30 and name HN )
     6.0 0.1 0.1 peak 586 weight 0.11000E+01 volume 39.67630 ppm1 9.6590166 ppm2 9.0137386
  OR ( resid 9 and name HN )
     ( resid 30 and name HN )
ASSI ( resid 31 and name HN )
     ( resid 18 and name HN )
     6.0 0.1 0.1 peak 587 weight 0.11000E+01 volume 96.57750 ppm1 9.6713943 ppm2 8.9384556
ASSI ( resid 31 and name HN )
     ( resid 20 and name HN )
     6.0 0.1 0.1 peak 588 weight 0.11000E+01 volume 25.38020 ppm1 9.6706524 ppm2 8.7521162
ASSI ( resid 9 and name HN )
     ( resid 8 and name HN )
     6.0 0.1 0.1 peak 589 weight 0.11000E+01 volume 36.77190 ppm1 9.6510983 ppm2 8.6966095
ASSI ( resid 9 and name HN )
     ( resid 7 and name HN )
     6.0 0.1 0.1 peak 590 weight 0.11000E+01 volume 15.92270 ppm1 9.6582088 ppm2 8.5636244
  OR ( resid 31 and name HN )
     ( resid 7 and name HN )
ASSI ( resid 31 and name HN )
     ( resid 32 and name HN )
     6.0 0.1 0.1 peak 591 weight 0.11000E+01 volume 17.23460 ppm1 9.6679859 ppm2 8.4479847
ASSI ( resid 34 and name HE1 )
     ( resid 35 and name HN )
     6.0 0.1 0.1 peak 592 weight 0.11000E+01 volume 2.54870 ppm1 10.1531591 ppm2 8.0497665
ASSI ( resid 9 and name HN )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 593 weight 0.11000E+01 volume 3.07500 ppm1 9.6510983 ppm2 8.0092182
ASSI ( resid 34 and name HE1 )
     ( resid 35 and name HD21 )
     6.0 0.1 0.1 peak 594 weight 0.11000E+01 volume 11.87360 ppm1 10.1502533 ppm2 7.6252213
ASSI ( resid 32 and name HE1 )
     ( resid 32 and name HZ2 )
     6.0 0.1 0.1 peak 595 weight 0.11000E+01 volume 79.95840 ppm1 10.1523113 ppm2 7.4990921
ASSI ( resid 32 and name HE1 )
     ( resid 32 and name HD1 )
     6.0 0.1 0.1 peak 596 weight 0.11000E+01 volume 257.14621 ppm1 10.1519108 ppm2 7.2066145
  OR ( resid 32 and name HE1 )
     ( resid 32 and name HH2 )
  OR ( resid 34 and name HE1 )
     ( resid 32 and name HD1 )
  OR ( resid 34 and name HE1 )
     ( resid 32 and name HH2 )
ASSI ( resid 34 and name HE1 )
     ( resid 34 and name HD1 )
     6.0 0.1 0.1 peak 597 weight 0.11000E+01 volume 231.26939 ppm1 10.1519108 ppm2 7.1585965
  OR ( resid 34 and name HE1 )
     ( resid 34 and name HH2 )
ASSI ( resid 9 and name HN )
     ( resid 9 and name HD2 )
     6.0 0.1 0.1 peak 598 weight 0.11000E+01 volume 62.09310 ppm1 9.6511803 ppm2 7.1079845
ASSI ( resid 34 and name HE1 )
     ( resid 34 and name HZ2 )
     6.0 0.1 0.1 peak 599 weight 0.11000E+01 volume 2.19110 ppm1 10.1526270 ppm2 7.0531116
ASSI ( resid 34 and name HE1 )
     ( resid 35 and name HD22 )
     6.0 0.1 0.1 peak 600 weight 0.11000E+01 volume 11.78770 ppm1 10.1503382 ppm2 6.9261279
ASSI ( resid 18 and name HN )
     ( resid 19 and name HN )
     6.0 0.1 0.1 peak 601 weight 0.11000E+01 volume 35.39110 ppm1 8.9367361 ppm2 8.7362080
ASSI ( resid 30 and name HN )
     ( resid 20 and name HN )
     6.0 0.1 0.1 peak 602 weight 0.11000E+01 volume 14.08390 ppm1 9.0114136 ppm2 8.7566414
ASSI ( resid 28 and name HN )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 603 weight 0.11000E+01 volume 25.67400 ppm1 9.0755787 ppm2 8.5875387
ASSI ( resid 30 and name HN )
     ( resid 7 and name HN )
     6.0 0.1 0.1 peak 604 weight 0.11000E+01 volume 158.51880 ppm1 9.0138645 ppm2 8.5570002
  OR ( resid 30 and name HN )
     ( resid 4 and name HN )
ASSI ( resid 22 and name HN )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 605 weight 0.11000E+01 volume 21.00370 ppm1 8.9367361 ppm2 8.6769514
ASSI ( resid 28 and name HN )
     ( resid 29 and name HN )
     6.0 0.1 0.1 peak 606 weight 0.11000E+01 volume 16.57240 ppm1 9.0742998 ppm2 8.6721458
ASSI ( resid 30 and name HN )
     ( resid 8 and name HN )
     6.0 0.1 0.1 peak 607 weight 0.11000E+01 volume 34.23060 ppm1 9.0152416 ppm2 8.6899633
ASSI ( resid 10 and name HN )
     ( resid 11 and name HN )
     6.0 0.1 0.1 peak 608 weight 0.11000E+01 volume 21.43760 ppm1 9.2004776 ppm2 8.5913553
ASSI ( resid 10 and name HN )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 609 weight 0.11000E+01 volume 2.34790 ppm1 9.2019472 ppm2 7.9982271
ASSI ( resid 28 and name HN )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 610 weight 0.11000E+01 volume 17.96590 ppm1 9.0754232 ppm2 8.0081024
  OR ( resid 28 and name HN )
     ( resid 12 and name HN )
ASSI ( resid 28 and name HN )
     ( resid 10 and name HD2 )
     6.0 0.1 0.1 peak 611 weight 0.11000E+01 volume 7.07480 ppm1 9.0778446 ppm2 7.2961392
ASSI ( resid 10 and name HN )
     ( resid 10 and name HD2 )
     6.0 0.1 0.1 peak 612 weight 0.11000E+01 volume 51.43140 ppm1 9.2008400 ppm2 7.2999811
  OR ( resid 10 and name HN )
     ( resid 10 and name HD1 )
ASSI ( resid 10 and name HN )
     ( resid 9 and name HD2 )
     6.0 0.1 0.1 peak 613 weight 0.11000E+01 volume 9.03360 ppm1 9.1988230 ppm2 7.1079059
ASSI ( resid 10 and name HN )
     ( resid 27 and name HE )
     6.0 0.1 0.1 peak 614 weight 0.11000E+01 volume 5.73290 ppm1 9.1995468 ppm2 6.9858332
ASSI ( resid 28 and name HN )
     ( resid 9 and name HD2 )
     6.0 0.1 0.1 peak 615 weight 0.11000E+01 volume 4.47690 ppm1 9.0802546 ppm2 7.1070523
ASSI ( resid 28 and name HN )
     ( resid 27 and name HE )
     6.0 0.1 0.1 peak 616 weight 0.11000E+01 volume 4.91220 ppm1 9.0785179 ppm2 6.9857211
ASSI ( resid 10 and name HN )
     ( resid 10 and name HE1 )
     6.0 0.1 0.1 peak 617 weight 0.11000E+01 volume 5.84870 ppm1 9.2029943 ppm2 7.4451685
ASSI ( resid 28 and name HN )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 618 weight 0.11000E+01 volume 26.22110 ppm1 9.0749464 ppm2 7.1712713
ASSI ( resid 30 and name HN )
     ( resid 9 and name HD2 )
     6.0 0.1 0.1 peak 619 weight 0.11000E+01 volume 53.45510 ppm1 9.0148201 ppm2 7.1069736
ASSI ( resid 8 and name HN )
     ( resid 7 and name HN )
     6.0 0.1 0.1 peak 620 weight 0.11000E+01 volume 37.60030 ppm1 8.7048397 ppm2 8.5542612
ASSI ( resid 5 and name HN )
     ( resid 4 and name HN )
     6.0 0.1 0.1 peak 621 weight 0.11000E+01 volume 54.87250 ppm1 8.7728548 ppm2 8.5281277
ASSI ( resid 5 and name HN )
     ( resid 3 and name HN )
     6.0 0.1 0.1 peak 622 weight 0.11000E+01 volume 12.95860 ppm1 8.7732420 ppm2 8.4275780
ASSI ( resid 2 and name HN )
     ( resid 3 and name HN )
     6.0 0.1 0.1 peak 623 weight 0.11000E+01 volume 21.85040 ppm1 8.8873062 ppm2 8.4280891
ASSI ( resid 8 and name HN )
     ( resid 3 and name HN )
     6.0 0.1 0.1 peak 624 weight 0.11000E+01 volume 10.36140 ppm1 8.7047091 ppm2 8.4286346
ASSI ( resid 22 and name HN )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 625 weight 0.11000E+01 volume 22.56560 ppm1 8.9358377 ppm2 8.0150671
ASSI ( resid 29 and name HN )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 626 weight 0.11000E+01 volume 48.99010 ppm1 8.6704521 ppm2 8.0150986
ASSI ( resid 18 and name HN )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 627 weight 0.11000E+01 volume 17.83090 ppm1 8.9399376 ppm2 7.7095890
ASSI ( resid 22 and name HN )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 628 weight 0.11000E+01 volume 44.05760 ppm1 8.9368696 ppm2 7.5438995
ASSI ( resid 2 and name HN )
     ( resid 2 and name HD2 )
     6.0 0.1 0.1 peak 629 weight 0.11000E+01 volume 46.41010 ppm1 8.8879242 ppm2 7.3591647
  OR ( resid 2 and name HN )
     ( resid 2 and name HD1 )
ASSI ( resid 5 and name HN )
     ( resid 6 and name HN )
     6.0 0.1 0.1 peak 630 weight 0.11000E+01 volume 213.99600 ppm1 8.7735996 ppm2 7.6234083
ASSI ( resid 20 and name HN )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 631 weight 0.11000E+01 volume 388.75079 ppm1 8.7545280 ppm2 7.5441179
ASSI ( resid 29 and name HN )
     ( resid 21 and name HN )
     6.0 0.1 0.1 peak 632 weight 0.11000E+01 volume 87.31740 ppm1 8.6715984 ppm2 7.5435667
ASSI ( resid 5 and name HN )
     ( resid 2 and name HD1 )
     6.0 0.1 0.1 peak 633 weight 0.11000E+01 volume 12.69180 ppm1 8.7720118 ppm2 7.3582101
  OR ( resid 5 and name HN )
     ( resid 2 and name HD2 )
ASSI ( resid 8 and name HN )
     ( resid 2 and name HD1 )
     6.0 0.1 0.1 peak 634 weight 0.11000E+01 volume 11.59520 ppm1 8.7056694 ppm2 7.3583426
ASSI ( resid 8 and name HN )
     ( resid 9 and name HD2 )
     6.0 0.1 0.1 peak 635 weight 0.11000E+01 volume 12.27950 ppm1 8.7033854 ppm2 7.1056156
ASSI ( resid 4 and name HN )
     ( resid 3 and name HN )
     6.0 0.1 0.1 peak 636 weight 0.11000E+01 volume 164.45630 ppm1 8.5207901 ppm2 8.4321880
ASSI ( resid 11 and name HN )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 637 weight 0.11000E+01 volume 73.40120 ppm1 8.5897570 ppm2 7.9982958
ASSI ( resid 32 and name HN )
     ( resid 35 and name HN )
     6.0 0.1 0.1 peak 638 weight 0.11000E+01 volume 8.83990 ppm1 8.4408407 ppm2 8.0509939
ASSI ( resid 13 and name HN )
     ( resid 12 and name HN )
     6.0 0.1 0.1 peak 639 weight 0.11000E+01 volume 50.57480 ppm1 8.5469198 ppm2 7.9983234
ASSI ( resid 4 and name HN )
     ( resid 6 and name HN )
     6.0 0.1 0.1 peak 640 weight 0.11000E+01 volume 12.33250 ppm1 8.5310087 ppm2 7.6224332
ASSI ( resid 32 and name HN )
     ( resid 34 and name HE3 )
     6.0 0.1 0.1 peak 641 weight 0.11000E+01 volume 20.59180 ppm1 8.4498281 ppm2 7.6146855
  OR ( resid 32 and name HN )
     ( resid 35 and name HD21 )
  OR ( resid 32 and name HN )
     ( resid 6 and name HN )
ASSI ( resid 16 and name HN )
     ( resid 17 and name HN )
     6.0 0.1 0.1 peak 642 weight 0.11000E+01 volume 225.20731 ppm1 8.3465538 ppm2 7.7117562
  OR ( resid 15 and name HN )
     ( resid 17 and name HN )
ASSI ( resid 11 and name HN )
     ( resid 10 and name HE1 )
     6.0 0.1 0.1 peak 643 weight 0.11000E+01 volume 10.07050 ppm1 8.5944653 ppm2 7.4496140
  OR ( resid 11 and name HN )
     ( resid 10 and name HE2 )
ASSI ( resid 11 and name HN )
     ( resid 10 and name HD1 )
     6.0 0.1 0.1 peak 644 weight 0.11000E+01 volume 53.89400 ppm1 8.5902052 ppm2 7.3001313
  OR ( resid 11 and name HN )
     ( resid 10 and name HD2 )
ASSI ( resid 4 and name HN )
     ( resid 2 and name HD1 )
     6.0 0.1 0.1 peak 645 weight 0.11000E+01 volume 10.77080 ppm1 8.5288820 ppm2 7.3613129
ASSI ( resid 32 and name HN )
     ( resid 32 and name HD1 )
     6.0 0.1 0.1 peak 646 weight 0.11000E+01 volume 92.24110 ppm1 8.4433393 ppm2 7.2038960
ASSI ( resid 7 and name HN )
     ( resid 6 and name HN )
     6.0 0.1 0.1 peak 647 weight 0.11000E+01 volume 45.22790 ppm1 8.5610647 ppm2 7.6224332
ASSI ( resid 32 and name HN )
     ( resid 32 and name HE3 )
     6.0 0.1 0.1 peak 648 weight 0.11000E+01 volume 24.89980 ppm1 8.4424248 ppm2 7.5453959
ASSI ( resid 3 and name HN )
     ( resid 2 and name HD1 )
     6.0 0.1 0.1 peak 649 weight 0.11000E+01 volume 57.52480 ppm1 8.4276714 ppm2 7.3584538
  OR ( resid 3 and name HN )
     ( resid 2 and name HD2 )
ASSI ( resid 9 and name HE1 )
     ( resid 9 and name HD2 )
     6.0 0.1 0.1 peak 650 weight 0.11000E+01 volume 20.40020 ppm1 8.6452503 ppm2 7.1056080
ASSI ( resid 16 and name HE1 )
     ( resid 16 and name HD2 )
     6.0 0.1 0.1 peak 651 weight 0.11000E+01 volume 15.44610 ppm1 8.4954510 ppm2 7.0967126
ASSI ( resid 16 and name HN )
     ( resid 16 and name HD2 )
     6.0 0.1 0.1 peak 652 weight 0.11000E+01 volume 30.71260 ppm1 8.3445339 ppm2 7.0974813
  OR ( resid 15 and name HN )
     ( resid 16 and name HD2 )
ASSI ( resid 7 and name HN )
     ( resid 9 and name HD2 )
     6.0 0.1 0.1 peak 653 weight 0.11000E+01 volume 21.96610 ppm1 8.5562582 ppm2 7.1064868
ASSI ( resid 3 and name HN )
     ( resid 6 and name HN )
     6.0 0.1 0.1 peak 654 weight 0.11000E+01 volume 48.62430 ppm1 8.4298811 ppm2 7.6212430
ASSI ( resid 25 and name HN )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 655 weight 0.11000E+01 volume 17.05020 ppm1 8.3145609 ppm2 8.0142870
  OR ( resid 26 and name HN )
     ( resid 23 and name HN )
ASSI ( resid 24 and name HN )
     ( resid 23 and name HN )
     6.0 0.1 0.1 peak 656 weight 0.11000E+01 volume 52.29990 ppm1 8.2372141 ppm2 8.0090590
ASSI ( resid 26 and name HN )
     ( resid 26 and name HE2 )
     6.0 0.1 0.1 peak 657 weight 0.11000E+01 volume 4.14220 ppm1 8.3210297 ppm2 7.3124752
ASSI ( resid 24 and name HN )
     ( resid 26 and name HE1 )
     6.0 0.1 0.1 peak 658 weight 0.11000E+01 volume 3.35160 ppm1 8.2379780 ppm2 7.3561797
  OR ( resid 24 and name HN )
     ( resid 26 and name HZ )
ASSI ( resid 26 and name HN )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 659 weight 0.11000E+01 volume 173.14211 ppm1 8.3167591 ppm2 7.1709352
  OR ( resid 25 and name HN )
     ( resid 27 and name HN )
ASSI ( resid 26 and name HN )
     ( resid 26 and name HD1 )
     6.0 0.1 0.1 peak 660 weight 0.11000E+01 volume 157.05510 ppm1 8.3111286 ppm2 7.2150240
  OR ( resid 26 and name HN )
     ( resid 24 and name HD2 )
  OR ( resid 26 and name HN )
     ( resid 24 and name HD1 )
  OR ( resid 25 and name HN )
     ( resid 26 and name HD1 )
  OR ( resid 25 and name HN )
     ( resid 24 and name HD2 )
  OR ( resid 25 and name HN )
     ( resid 24 and name HD1 )
ASSI ( resid 26 and name HN )
     ( resid 27 and name HE )
     6.0 0.1 0.1 peak 661 weight 0.11000E+01 volume 6.53850 ppm1 8.3105345 ppm2 6.9875340
  OR ( resid 25 and name HN )
     ( resid 27 and name HE )
ASSI ( resid 26 and name HN )
     ( resid 26 and name HE1 )
     6.0 0.1 0.1 peak 662 weight 0.11000E+01 volume 18.12780 ppm1 8.3114109 ppm2 7.3605380
  OR ( resid 25 and name HN )
     ( resid 26 and name HE1 )
ASSI ( resid 24 and name HN )
     ( resid 24 and name HD2 )
     6.0 0.1 0.1 peak 663 weight 0.11000E+01 volume 66.39660 ppm1 8.2367020 ppm2 7.2099218
  OR ( resid 24 and name HN )
     ( resid 24 and name HD1 )
ASSI ( resid 24 and name HN )
     ( resid 27 and name HE )
     6.0 0.1 0.1 peak 664 weight 0.11000E+01 volume 2.19540 ppm1 8.2409878 ppm2 6.9828854
ASSI ( resid 35 and name HN )
     ( resid 36 and name HN )
     6.0 0.1 0.1 peak 665 weight 0.11000E+01 volume 230.55321 ppm1 8.0470009 ppm2 7.6365938
ASSI ( resid 35 and name HN )
     ( resid 34 and name HN )
     6.0 0.1 0.1 peak 666 weight 0.11000E+01 volume 159.21140 ppm1 8.0492887 ppm2 7.2983627
ASSI ( resid 35 and name HN )
     ( resid 34 and name HD1 )
     6.0 0.1 0.1 peak 667 weight 0.11000E+01 volume 30.64550 ppm1 8.0508404 ppm2 7.1707330
  OR ( resid 35 and name HN )
     ( resid 27 and name HN )
  OR ( resid 23 and name HN )
     ( resid 34 and name HD1 )
  OR ( resid 23 and name HN )
     ( resid 27 and name HN )
ASSI ( resid 23 and name HN )
     ( resid 27 and name HN )
     6.0 0.1 0.1 peak 668 weight 0.11000E+01 volume 44.58680 ppm1 8.0126076 ppm2 7.1734562
ASSI ( resid 35 and name HN )
     ( resid 35 and name HD22 )
     6.0 0.1 0.1 peak 669 weight 0.11000E+01 volume 6.77210 ppm1 8.0486155 ppm2 6.9291701
ASSI ( resid 36 and name HN )
     ( resid 34 and name HN )
     6.0 0.1 0.1 peak 670 weight 0.11000E+01 volume 97.62630 ppm1 7.6273150 ppm2 7.3020225
  OR ( resid 34 and name HE3 )
     ( resid 34 and name HN )
  OR ( resid 35 and name HD21 )
     ( resid 34 and name HN )
ASSI ( resid 35 and name HD21 )
     ( resid 34 and name HH2 )
     6.0 0.1 0.1 peak 671 weight 0.11000E+01 volume 11.35120 ppm1 7.6263080 ppm2 7.1948147
ASSI ( resid 32 and name HE3 )
     ( resid 32 and name HH2 )
     6.0 0.1 0.1 peak 672 weight 0.11000E+01 volume 26.85750 ppm1 7.5511432 ppm2 7.2133393
  OR ( resid 32 and name HE3 )
     ( resid 32 and name HD1 )
ASSI ( resid 35 and name HD21 )
     ( resid 35 and name HD22 )
     6.0 0.1 0.1 peak 673 weight 0.11000E+01 volume 2068.06934 ppm1 7.6134558 ppm2 6.9253898
ASSI ( resid 32 and name HZ2 )
     ( resid 32 and name HH2 )
     6.0 0.1 0.1 peak 674 weight 0.11000E+01 volume 481.38889 ppm1 7.4969192 ppm2 7.2129021
ASSI ( resid 10 and name HE1 )
     ( resid 10 and name HD1 )
     6.0 0.1 0.1 peak 675 weight 0.11000E+01 volume 899.94342 ppm1 7.4493575 ppm2 7.3009024
  OR ( resid 10 and name HE1 )
     ( resid 10 and name HD2 )
  OR ( resid 10 and name HE2 )
     ( resid 10 and name HD1 )
  OR ( resid 10 and name HE2 )
     ( resid 10 and name HD2 )
ASSI ( resid 10 and name HE2 )
     ( resid 10 and name HZ )
     6.0 0.1 0.1 peak 676 weight 0.11000E+01 volume 716.86407 ppm1 7.4512806 ppm2 7.3647709
  OR ( resid 10 and name HE1 )
     ( resid 10 and name HZ )
ASSI ( resid 34 and name HE3 )
     ( resid 34 and name HZ3 )
     6.0 0.1 0.1 peak 677 weight 0.11000E+01 volume 365.19049 ppm1 7.6337042 ppm2 7.1172876
  OR ( resid 36 and name HN )
     ( resid 34 and name HZ3 )
ASSI ( resid 32 and name HE3 )
     ( resid 32 and name HZ3 )
     6.0 0.1 0.1 peak 678 weight 0.11000E+01 volume 439.11292 ppm1 7.5524626 ppm2 7.1285253
ASSI ( resid 32 and name HE3 )
     ( resid 34 and name HZ2 )
     6.0 0.1 0.1 peak 679 weight 0.11000E+01 volume 12.71950 ppm1 7.5477262 ppm2 7.0541949
ASSI ( resid 32 and name HZ2 )
     ( resid 32 and name HZ3 )
     6.0 0.1 0.1 peak 680 weight 0.11000E+01 volume 56.95560 ppm1 7.5025554 ppm2 7.1308122
ASSI ( resid 10 and name HE2 )
     ( resid 27 and name HE )
     6.0 0.1 0.1 peak 681 weight 0.11000E+01 volume 4.13140 ppm1 7.4534793 ppm2 6.9832187
ASSI ( resid 26 and name HE1 )
     ( resid 26 and name HD1 )
     6.0 0.1 0.1 peak 682 weight 0.11000E+01 volume 1402.90601 ppm1 7.3665748 ppm2 7.2239380
  OR ( resid 10 and name HZ )
     ( resid 26 and name HD1 )
ASSI ( resid 31 and name HN )
     ( resid 18 and name HA )
     6.0 0.1 0.1 peak 683 weight 0.11000E+01 volume 7.43000 ppm1 9.6697483 ppm2 4.3858457
ASSI ( resid 17 and name HN )
     ( resid 32 and name HA )
     6.0 0.1 0.1 peak 684 weight 0.11000E+01 volume 7.52120 ppm1 7.7135930 ppm2 4.6712580
ASSI ( resid 2 and name HE2 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 685 weight 0.11000E+01 volume 16.17500 ppm1 7.3992419 ppm2 1.3857311
ASSI ( resid 2 and name HE2 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 686 weight 0.11000E+01 volume 15.52790 ppm1 7.4427633 ppm2 1.3783833
ASSI ( resid 2 and name HE2 )
     ( resid 4 and name HB2 )
     6.0 0.1 0.1 peak 687 weight 0.11000E+01 volume 177.17480 ppm1 7.4412742 ppm2 1.7120944
ASSI ( resid 2 and name HD2 )
     ( resid 4 and name HD1 )
     6.0 0.1 0.1 peak 688 weight 0.11000E+01 volume 23.95730 ppm1 7.3612256 ppm2 1.7365186

! derived from the 2D file(s):
! /home/meudal/GALLINACINES/Gall2/AvBD2-K31A-SS/Aria/avbd2-k31a-d2o-noes-020810.xpk
ASSI ( resid 7 and name HA )
     ( resid 8 and name HA )
     6.0 0.1 0.1 peak 0 weight 0.11000E+01 volume 7.01260 ppm1 4.9601622 ppm2 5.5048399
ASSI ( resid 28 and name HA )
     ( resid 30 and name HA )
     6.0 0.1 0.1 peak 1 weight 0.11000E+01 volume 3.23840 ppm1 4.7068186 ppm2 5.5087838
  OR ( resid 28 and name HA )
     ( resid 8 and name HA )
ASSI ( resid 30 and name HA )
     ( resid 19 and name HA )
     6.0 0.1 0.1 peak 2 weight 0.11000E+01 volume 4.58970 ppm1 5.5060654 ppm2 4.7891555
ASSI ( resid 8 and name HA )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 3 weight 0.11000E+01 volume 7.21660 ppm1 5.5112271 ppm2 4.5240569
  OR ( resid 8 and name HA )
     ( resid 17 and name HA )
  OR ( resid 30 and name HA )
     ( resid 10 and name HA )
  OR ( resid 30 and name HA )
     ( resid 17 and name HA )
ASSI ( resid 30 and name HA )
     ( resid 18 and name HA )
     6.0 0.1 0.1 peak 4 weight 0.11000E+01 volume 12.50950 ppm1 5.5082774 ppm2 4.3769150
ASSI ( resid 22 and name HA )
     ( resid 28 and name HA )
     6.0 0.1 0.1 peak 5 weight 0.11000E+01 volume 72.93210 ppm1 5.0503078 ppm2 4.7039824
ASSI ( resid 22 and name HA )
     ( resid 21 and name HA1 )
     6.0 0.1 0.1 peak 6 weight 0.11000E+01 volume 6.21460 ppm1 5.0518727 ppm2 4.3257275
ASSI ( resid 8 and name HA )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 7 weight 0.11000E+01 volume 4.42850 ppm1 5.5085440 ppm2 3.8849952
ASSI ( resid 8 and name HA )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 8 weight 0.11000E+01 volume 9.04880 ppm1 5.5073357 ppm2 3.7772214
ASSI ( resid 30 and name HA )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 9 weight 0.11000E+01 volume 20.62710 ppm1 5.5073357 ppm2 3.6486840
  OR ( resid 30 and name HA )
     ( resid 28 and name HB1 )
  OR ( resid 8 and name HA )
     ( resid 28 and name HB2 )
  OR ( resid 8 and name HA )
     ( resid 28 and name HB1 )
ASSI ( resid 22 and name HA )
     ( resid 21 and name HA2 )
     6.0 0.1 0.1 peak 10 weight 0.11000E+01 volume 7.73810 ppm1 5.0482769 ppm2 4.0280066
ASSI ( resid 22 and name HA )
     ( resid 22 and name HB1 )
     6.0 0.1 0.1 peak 11 weight 0.11000E+01 volume 272.17340 ppm1 5.0514541 ppm2 3.8916097
ASSI ( resid 22 and name HA )
     ( resid 22 and name HB2 )
     6.0 0.1 0.1 peak 12 weight 0.11000E+01 volume 226.67680 ppm1 5.0510354 ppm2 3.7678921
ASSI ( resid 22 and name HA )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 13 weight 0.11000E+01 volume 32.78690 ppm1 5.0512533 ppm2 3.6461902
ASSI ( resid 7 and name HA )
     ( resid 6 and name HA1 )
     6.0 0.1 0.1 peak 14 weight 0.11000E+01 volume 4.38350 ppm1 4.9572978 ppm2 4.2153854
ASSI ( resid 7 and name HA )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 15 weight 0.11000E+01 volume 254.63010 ppm1 4.9583254 ppm2 3.8852680
  OR ( resid 7 and name HA )
     ( resid 5 and name HA2 )
ASSI ( resid 7 and name HA )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 16 weight 0.11000E+01 volume 232.76289 ppm1 4.9590659 ppm2 3.7692308
ASSI ( resid 8 and name HA )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 17 weight 0.11000E+01 volume 6.27110 ppm1 5.5078826 ppm2 3.3023829
ASSI ( resid 8 and name HA )
     ( resid 23 and name HB1 )
     6.0 0.1 0.1 peak 18 weight 0.11000E+01 volume 31.88670 ppm1 5.5076513 ppm2 3.1696420
  OR ( resid 8 and name HA )
     ( resid 23 and name HB2 )
ASSI ( resid 8 and name HA )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 19 weight 0.11000E+01 volume 12.22710 ppm1 5.5016837 ppm2 2.9813235
ASSI ( resid 8 and name HA )
     ( resid 8 and name HB1 )
     6.0 0.1 0.1 peak 20 weight 0.11000E+01 volume 220.75790 ppm1 5.5043669 ppm2 2.8593209
ASSI ( resid 22 and name HA )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 21 weight 0.11000E+01 volume 6.43570 ppm1 5.0535808 ppm2 3.1821420
  OR ( resid 22 and name HA )
     ( resid 23 and name HB1 )
ASSI ( resid 22 and name HA )
     ( resid 19 and name HE2 )
     6.0 0.1 0.1 peak 22 weight 0.11000E+01 volume 59.92010 ppm1 5.0507150 ppm2 2.9053588
  OR ( resid 22 and name HA )
     ( resid 19 and name HE1 )
ASSI ( resid 7 and name HA )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 23 weight 0.11000E+01 volume 21.43370 ppm1 4.9596672 ppm2 3.2318068
ASSI ( resid 7 and name HA )
     ( resid 2 and name HB2 )
     6.0 0.1 0.1 peak 24 weight 0.11000E+01 volume 13.64270 ppm1 4.9580956 ppm2 3.0818574
ASSI ( resid 7 and name HA )
     ( resid 8 and name HB1 )
     6.0 0.1 0.1 peak 25 weight 0.11000E+01 volume 14.11520 ppm1 4.9593987 ppm2 2.8512447
ASSI ( resid 8 and name HA )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 26 weight 0.11000E+01 volume 24.26390 ppm1 5.5041289 ppm2 2.7664466
ASSI ( resid 30 and name HA )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 27 weight 0.11000E+01 volume 430.62109 ppm1 5.5056229 ppm2 2.6283171
  OR ( resid 30 and name HA )
     ( resid 30 and name HB2 )
  OR ( resid 8 and name HA )
     ( resid 30 and name HB1 )
  OR ( resid 8 and name HA )
     ( resid 30 and name HB2 )
ASSI ( resid 8 and name HA )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 28 weight 0.11000E+01 volume 346.77069 ppm1 5.5026350 ppm2 2.5100877
ASSI ( resid 30 and name HA )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 29 weight 0.11000E+01 volume 15.84250 ppm1 5.5033822 ppm2 2.3848345
  OR ( resid 8 and name HA )
     ( resid 29 and name HB2 )
ASSI ( resid 7 and name HA )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 30 weight 0.11000E+01 volume 5.92320 ppm1 4.9542818 ppm2 2.5162041
ASSI ( resid 22 and name HA )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 31 weight 0.11000E+01 volume 22.91890 ppm1 5.0496545 ppm2 2.4634295
ASSI ( resid 22 and name HA )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 32 weight 0.11000E+01 volume 15.21020 ppm1 5.0510163 ppm2 2.3941514
ASSI ( resid 30 and name HA )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 33 weight 0.11000E+01 volume 8.48860 ppm1 5.5067935 ppm2 1.9049158
ASSI ( resid 30 and name HA )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 34 weight 0.11000E+01 volume 39.50090 ppm1 5.5043383 ppm2 1.6740371
ASSI ( resid 8 and name HA )
     ( resid 1 and name HB1 )
     6.0 0.1 0.1 peak 35 weight 0.11000E+01 volume 19.12320 ppm1 5.5034442 ppm2 1.6128938
  OR ( resid 8 and name HA )
     ( resid 1 and name HG )
ASSI ( resid 30 and name HA )
     ( resid 19 and name HD2 )
     6.0 0.1 0.1 peak 36 weight 0.11000E+01 volume 45.61230 ppm1 5.5040197 ppm2 1.5272818
  OR ( resid 30 and name HA )
     ( resid 19 and name HD1 )
  OR ( resid 30 and name HA )
     ( resid 27 and name HB2 )
  OR ( resid 30 and name HA )
     ( resid 27 and name HB1 )
  OR ( resid 8 and name HA )
     ( resid 19 and name HD2 )
  OR ( resid 8 and name HA )
     ( resid 19 and name HD1 )
  OR ( resid 8 and name HA )
     ( resid 27 and name HB2 )
  OR ( resid 8 and name HA )
     ( resid 27 and name HB1 )
ASSI ( resid 30 and name HA )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 37 weight 0.11000E+01 volume 64.19880 ppm1 5.5068979 ppm2 1.3717071
ASSI ( resid 30 and name HA )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 38 weight 0.11000E+01 volume 24.92040 ppm1 5.5030675 ppm2 1.2949640
ASSI ( resid 22 and name HA )
     ( resid 19 and name HD2 )
     6.0 0.1 0.1 peak 39 weight 0.11000E+01 volume 8.61320 ppm1 5.0513954 ppm2 1.5393754
ASSI ( resid 22 and name HA )
     ( resid 19 and name HG1 )
     6.0 0.1 0.1 peak 40 weight 0.11000E+01 volume 3.01840 ppm1 5.0521250 ppm2 1.3744688
ASSI ( resid 7 and name HA )
     ( resid 1 and name HB1 )
     6.0 0.1 0.1 peak 41 weight 0.11000E+01 volume 4.90680 ppm1 4.9593964 ppm2 1.6156964
ASSI ( resid 7 and name HA )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 42 weight 0.11000E+01 volume 4.30650 ppm1 4.9560304 ppm2 1.3751153
ASSI ( resid 30 and name HA )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 43 weight 0.11000E+01 volume 45.22160 ppm1 5.5058656 ppm2 1.1197463
  OR ( resid 30 and name HA )
     ( resid 27 and name HG2 )
  OR ( resid 8 and name HA )
     ( resid 17 and name HB2 )
  OR ( resid 8 and name HA )
     ( resid 27 and name HG2 )
ASSI ( resid 30 and name HA )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 44 weight 0.11000E+01 volume 41.11820 ppm1 5.5058656 ppm2 0.8557388
  OR ( resid 30 and name HA )
     ( resid 20 and name HG12 )
  OR ( resid 30 and name HA )
     ( resid 20 and name HG13 )
ASSI ( resid 30 and name HA )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 45 weight 0.11000E+01 volume 7.78920 ppm1 5.5036960 ppm2 0.7915496
ASSI ( resid 30 and name HA )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 46 weight 0.11000E+01 volume 92.55320 ppm1 5.5057087 ppm2 0.5537382
  OR ( resid 30 and name HA )
     ( resid 20 and name HG21 )
  OR ( resid 30 and name HA )
     ( resid 20 and name HG23 )
ASSI ( resid 22 and name HA )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 47 weight 0.11000E+01 volume 2.40350 ppm1 5.0470357 ppm2 0.5519221
  OR ( resid 22 and name HA )
     ( resid 20 and name HG23 )
  OR ( resid 22 and name HA )
     ( resid 20 and name HG21 )
ASSI ( resid 30 and name HA )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 48 weight 0.11000E+01 volume 29.44600 ppm1 5.5077209 ppm2 0.3288830
  OR ( resid 30 and name HA )
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  OR ( resid 30 and name HA )
     ( resid 17 and name HD12 )
ASSI ( resid 30 and name HA )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 49 weight 0.11000E+01 volume 11.15300 ppm1 5.5077209 ppm2 0.0699328
  OR ( resid 30 and name HA )
     ( resid 17 and name HD22 )
  OR ( resid 30 and name HA )
     ( resid 17 and name HD23 )
ASSI ( resid 9 and name HA )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 50 weight 0.11000E+01 volume 24.10700 ppm1 4.7665443 ppm2 4.5187154
ASSI ( resid 27 and name HA )
     ( resid 10 and name HA )
     6.0 0.1 0.1 peak 51 weight 0.11000E+01 volume 140.36771 ppm1 4.7180796 ppm2 4.5224319
ASSI ( resid 32 and name HA )
     ( resid 17 and name HA )
     6.0 0.1 0.1 peak 52 weight 0.11000E+01 volume 80.74980 ppm1 4.6599617 ppm2 4.5252500
ASSI ( resid 13 and name HA )
     ( resid 14 and name HA )
     6.0 0.1 0.1 peak 53 weight 0.11000E+01 volume 11.50720 ppm1 4.8282738 ppm2 4.4248981
ASSI ( resid 23 and name HA )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 54 weight 0.11000E+01 volume 55.61750 ppm1 4.8270750 ppm2 4.2092028
  OR ( resid 23 and name HA )
     ( resid 6 and name HA1 )
  OR ( resid 31 and name HA )
     ( resid 24 and name HA )
  OR ( resid 31 and name HA )
     ( resid 6 and name HA1 )
ASSI ( resid 23 and name HA )
     ( resid 24 and name HA )
     6.0 0.1 0.1 peak 55 weight 0.11000E+01 volume 20.75400 ppm1 4.8548861 ppm2 4.2546043
ASSI ( resid 34 and name HA )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 56 weight 0.11000E+01 volume 14.45660 ppm1 4.7132053 ppm2 4.2331395
ASSI ( resid 32 and name HA )
     ( resid 33 and name HA )
     6.0 0.1 0.1 peak 57 weight 0.11000E+01 volume 20.66180 ppm1 4.6588974 ppm2 4.2343302
ASSI ( resid 3 and name HA )
     ( resid 4 and name HA )
     6.0 0.1 0.1 peak 58 weight 0.11000E+01 volume 26.16500 ppm1 4.5988755 ppm2 4.0600152
ASSI ( resid 35 and name HA )
     ( resid 36 and name HA )
     6.0 0.1 0.1 peak 59 weight 0.11000E+01 volume 9.79600 ppm1 4.7832718 ppm2 4.0688696
ASSI ( resid 19 and name HA )
     ( resid 18 and name HA )
     6.0 0.1 0.1 peak 60 weight 0.11000E+01 volume 21.71330 ppm1 4.7938290 ppm2 4.3753581
ASSI ( resid 20 and name HA )
     ( resid 21 and name HA1 )
     6.0 0.1 0.1 peak 61 weight 0.11000E+01 volume 16.36260 ppm1 4.5731316 ppm2 4.3062367
ASSI ( resid 2 and name HA )
     ( resid 1 and name HA )
     6.0 0.1 0.1 peak 62 weight 0.11000E+01 volume 50.16180 ppm1 4.8282466 ppm2 3.9387419
ASSI ( resid 2 and name HA )
     ( resid 7 and name HB1 )
     6.0 0.1 0.1 peak 63 weight 0.11000E+01 volume 50.24960 ppm1 4.8257570 ppm2 3.8815649
  OR ( resid 2 and name HA )
     ( resid 5 and name HA2 )
  OR ( resid 31 and name HA )
     ( resid 7 and name HB1 )
  OR ( resid 31 and name HA )
     ( resid 5 and name HA2 )
ASSI ( resid 23 and name HA )
     ( resid 22 and name HB2 )
     6.0 0.1 0.1 peak 64 weight 0.11000E+01 volume 29.94490 ppm1 4.8488355 ppm2 3.7694819
ASSI ( resid 28 and name HA )
     ( resid 22 and name HB1 )
     6.0 0.1 0.1 peak 65 weight 0.11000E+01 volume 48.87530 ppm1 4.7048287 ppm2 3.8900275
ASSI ( resid 2 and name HA )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 66 weight 0.11000E+01 volume 90.72320 ppm1 4.8247194 ppm2 3.7922347
  OR ( resid 2 and name HA )
     ( resid 6 and name HA2 )
  OR ( resid 31 and name HA )
     ( resid 7 and name HB2 )
  OR ( resid 31 and name HA )
     ( resid 6 and name HA2 )
ASSI ( resid 32 and name HA )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 67 weight 0.11000E+01 volume 374.76559 ppm1 4.6593218 ppm2 3.8689983
ASSI ( resid 17 and name HA )
     ( resid 33 and name HD1 )
     6.0 0.1 0.1 peak 68 weight 0.11000E+01 volume 138.28641 ppm1 4.5248995 ppm2 3.8666975
ASSI ( resid 10 and name HA )
     ( resid 11 and name HA1 )
     6.0 0.1 0.1 peak 69 weight 0.11000E+01 volume 12.06760 ppm1 4.5177302 ppm2 3.9783924
ASSI ( resid 28 and name HA )
     ( resid 22 and name HB2 )
     6.0 0.1 0.1 peak 70 weight 0.11000E+01 volume 29.56270 ppm1 4.7047467 ppm2 3.7695713
ASSI ( resid 29 and name HA )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 71 weight 0.11000E+01 volume 37.05740 ppm1 4.8247194 ppm2 3.6460929
  OR ( resid 29 and name HA )
     ( resid 28 and name HB1 )
  OR ( resid 13 and name HA )
     ( resid 28 and name HB2 )
  OR ( resid 13 and name HA )
     ( resid 28 and name HB1 )
ASSI ( resid 28 and name HA )
     ( resid 28 and name HB1 )
     6.0 0.1 0.1 peak 72 weight 0.11000E+01 volume 424.51221 ppm1 4.7034879 ppm2 3.6491954
  OR ( resid 28 and name HA )
     ( resid 28 and name HB2 )
ASSI ( resid 19 and name HA )
     ( resid 28 and name HB2 )
     6.0 0.1 0.1 peak 73 weight 0.11000E+01 volume 34.39550 ppm1 4.7985005 ppm2 3.6466725
  OR ( resid 19 and name HA )
     ( resid 28 and name HB1 )
ASSI ( resid 23 and name HA )
     ( resid 25 and name HA2 )
     6.0 0.1 0.1 peak 74 weight 0.11000E+01 volume 15.28800 ppm1 4.8550553 ppm2 3.3703697
  OR ( resid 23 and name HA )
     ( resid 3 and name HB1 )
  OR ( resid 29 and name HA )
     ( resid 25 and name HA2 )
  OR ( resid 29 and name HA )
     ( resid 3 and name HB1 )
ASSI ( resid 29 and name HA )
     ( resid 3 and name HB1 )
     6.0 0.1 0.1 peak 75 weight 0.11000E+01 volume 12.55180 ppm1 4.8126688 ppm2 3.3701975
ASSI ( resid 9 and name HA )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 76 weight 0.11000E+01 volume 253.14000 ppm1 4.7720838 ppm2 3.2993042
ASSI ( resid 2 and name HA )
     ( resid 2 and name HB2 )
     6.0 0.1 0.1 peak 77 weight 0.11000E+01 volume 543.44562 ppm1 4.8253331 ppm2 3.1023145
  OR ( resid 2 and name HA )
     ( resid 14 and name HD1 )
  OR ( resid 13 and name HA )
     ( resid 2 and name HB2 )
  OR ( resid 13 and name HA )
     ( resid 14 and name HD1 )
ASSI ( resid 23 and name HA )
     ( resid 23 and name HB2 )
     6.0 0.1 0.1 peak 78 weight 0.11000E+01 volume 398.83939 ppm1 4.8558435 ppm2 3.1860855
  OR ( resid 23 and name HA )
     ( resid 23 and name HB1 )
ASSI ( resid 2 and name HA )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 79 weight 0.11000E+01 volume 209.39101 ppm1 4.8276358 ppm2 3.2293518
ASSI ( resid 13 and name HA )
     ( resid 9 and name HB1 )
     6.0 0.1 0.1 peak 80 weight 0.11000E+01 volume 30.90810 ppm1 4.8249512 ppm2 3.3044066
ASSI ( resid 34 and name HA )
     ( resid 34 and name HB1 )
     6.0 0.1 0.1 peak 81 weight 0.11000E+01 volume 608.01868 ppm1 4.7145929 ppm2 3.3025596
  OR ( resid 34 and name HA )
     ( resid 34 and name HB2 )
ASSI ( resid 32 and name HA )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 82 weight 0.11000E+01 volume 259.12909 ppm1 4.6589665 ppm2 3.3499541
ASSI ( resid 9 and name HA )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 83 weight 0.11000E+01 volume 32.71170 ppm1 4.7706265 ppm2 3.1095881
ASSI ( resid 3 and name HA )
     ( resid 3 and name HB1 )
     6.0 0.1 0.1 peak 84 weight 0.11000E+01 volume 231.10480 ppm1 4.5983281 ppm2 3.3737428
ASSI ( resid 3 and name HA )
     ( resid 2 and name HB1 )
     6.0 0.1 0.1 peak 85 weight 0.11000E+01 volume 22.15840 ppm1 4.5980387 ppm2 3.2255268
ASSI ( resid 10 and name HA )
     ( resid 11 and name HA2 )
     6.0 0.1 0.1 peak 86 weight 0.11000E+01 volume 14.52220 ppm1 4.5202308 ppm2 3.4411829
ASSI ( resid 17 and name HA )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 87 weight 0.11000E+01 volume 61.35540 ppm1 4.5263505 ppm2 3.3427286
ASSI ( resid 17 and name HA )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 88 weight 0.11000E+01 volume 20.01440 ppm1 4.5214124 ppm2 3.2217259
ASSI ( resid 3 and name HA )
     ( resid 2 and name HB2 )
     6.0 0.1 0.1 peak 89 weight 0.11000E+01 volume 21.64020 ppm1 4.6021810 ppm2 3.0924726
ASSI ( resid 9 and name HA )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 90 weight 0.11000E+01 volume 223.27400 ppm1 4.7726865 ppm2 2.9808462
ASSI ( resid 23 and name HA )
     ( resid 24 and name HB2 )
     6.0 0.1 0.1 peak 91 weight 0.11000E+01 volume 16.45480 ppm1 4.8562193 ppm2 2.9767206
ASSI ( resid 13 and name HA )
     ( resid 14 and name HD2 )
     6.0 0.1 0.1 peak 92 weight 0.11000E+01 volume 369.51569 ppm1 4.8257518 ppm2 2.8537066
  OR ( resid 13 and name HA )
     ( resid 8 and name HB1 )
  OR ( resid 29 and name HA )
     ( resid 14 and name HD2 )
  OR ( resid 29 and name HA )
     ( resid 8 and name HB1 )
ASSI ( resid 27 and name HA )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 93 weight 0.11000E+01 volume 28.23980 ppm1 4.7175798 ppm2 3.0213509
ASSI ( resid 27 and name HA )
     ( resid 27 and name HD2 )
     6.0 0.1 0.1 peak 94 weight 0.11000E+01 volume 73.13890 ppm1 4.7181749 ppm2 2.7624803
  OR ( resid 27 and name HA )
     ( resid 27 and name HD1 )
ASSI ( resid 3 and name HA )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 95 weight 0.11000E+01 volume 255.53610 ppm1 4.5985475 ppm2 2.8324630
ASSI ( resid 10 and name HA )
     ( resid 27 and name HD1 )
     6.0 0.1 0.1 peak 96 weight 0.11000E+01 volume 46.78330 ppm1 4.5212436 ppm2 2.7633574
  OR ( resid 10 and name HA )
     ( resid 27 and name HD2 )
ASSI ( resid 14 and name HA )
     ( resid 14 and name HD2 )
     6.0 0.1 0.1 peak 97 weight 0.11000E+01 volume 21.99840 ppm1 4.4260478 ppm2 2.8550582
ASSI ( resid 26 and name HA )
     ( resid 26 and name HB1 )
     6.0 0.1 0.1 peak 98 weight 0.11000E+01 volume 373.51160 ppm1 4.4465146 ppm2 3.3320909
ASSI ( resid 26 and name HA )
     ( resid 26 and name HB2 )
     6.0 0.1 0.1 peak 99 weight 0.11000E+01 volume 224.32471 ppm1 4.4483538 ppm2 3.2035930
ASSI ( resid 14 and name HA )
     ( resid 14 and name HD1 )
     6.0 0.1 0.1 peak 100 weight 0.11000E+01 volume 28.14090 ppm1 4.4251299 ppm2 3.1125057
ASSI ( resid 10 and name HA )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 101 weight 0.11000E+01 volume 236.67390 ppm1 4.5219502 ppm2 3.1225443
ASSI ( resid 10 and name HA )
     ( resid 10 and name HB2 )
     6.0 0.1 0.1 peak 102 weight 0.11000E+01 volume 255.83411 ppm1 4.5218635 ppm2 3.0147660
ASSI ( resid 13 and name HA )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 103 weight 0.11000E+01 volume 58.15220 ppm1 4.8226576 ppm2 2.9794383
  OR ( resid 13 and name HA )
     ( resid 4 and name HE2 )
  OR ( resid 13 and name HA )
     ( resid 4 and name HE1 )
  OR ( resid 2 and name HA )
     ( resid 9 and name HB2 )
  OR ( resid 2 and name HA )
     ( resid 4 and name HE2 )
  OR ( resid 2 and name HA )
     ( resid 4 and name HE1 )
ASSI ( resid 27 and name HA )
     ( resid 10 and name HB1 )
     6.0 0.1 0.1 peak 104 weight 0.11000E+01 volume 28.69450 ppm1 4.7162189 ppm2 3.1226125
ASSI ( resid 28 and name HA )
     ( resid 19 and name HE2 )
     6.0 0.1 0.1 peak 105 weight 0.11000E+01 volume 184.49921 ppm1 4.7042756 ppm2 2.9108353
  OR ( resid 28 and name HA )
     ( resid 19 and name HE1 )
ASSI ( resid 35 and name HA )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 106 weight 0.11000E+01 volume 321.14081 ppm1 4.7830439 ppm2 2.7328858
ASSI ( resid 35 and name HA )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 107 weight 0.11000E+01 volume 299.68201 ppm1 4.7843285 ppm2 2.5722311
ASSI ( resid 31 and name HA )
     ( resid 30 and name HB2 )
     6.0 0.1 0.1 peak 108 weight 0.11000E+01 volume 70.35670 ppm1 4.8228645 ppm2 2.6282489
  OR ( resid 31 and name HA )
     ( resid 30 and name HB1 )
  OR ( resid 29 and name HA )
     ( resid 30 and name HB2 )
  OR ( resid 29 and name HA )
     ( resid 30 and name HB1 )
  OR ( resid 13 and name HA )
     ( resid 30 and name HB2 )
  OR ( resid 13 and name HA )
     ( resid 30 and name HB1 )
ASSI ( resid 29 and name HA )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 109 weight 0.11000E+01 volume 161.33800 ppm1 4.8145146 ppm2 2.4686511
ASSI ( resid 23 and name HA )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 110 weight 0.11000E+01 volume 14.08850 ppm1 4.8556199 ppm2 2.4697080
ASSI ( resid 32 and name HA )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 111 weight 0.11000E+01 volume 164.62820 ppm1 4.6581283 ppm2 2.5545516
ASSI ( resid 32 and name HA )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 112 weight 0.11000E+01 volume 214.52090 ppm1 4.6582518 ppm2 2.6203241
ASSI ( resid 29 and name HA )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 113 weight 0.11000E+01 volume 141.76151 ppm1 4.8106613 ppm2 2.3904374
ASSI ( resid 13 and name HA )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 114 weight 0.11000E+01 volume 445.26089 ppm1 4.8235068 ppm2 2.5267828
  OR ( resid 13 and name HA )
     ( resid 13 and name HB2 )
  OR ( resid 13 and name HA )
     ( resid 8 and name HB2 )
  OR ( resid 29 and name HA )
     ( resid 13 and name HB1 )
  OR ( resid 29 and name HA )
     ( resid 13 and name HB2 )
  OR ( resid 29 and name HA )
     ( resid 8 and name HB2 )
ASSI ( resid 17 and name HA )
     ( resid 30 and name HB1 )
     6.0 0.1 0.1 peak 115 weight 0.11000E+01 volume 42.61620 ppm1 4.5245953 ppm2 2.6136222
  OR ( resid 17 and name HA )
     ( resid 32 and name HB1 )
ASSI ( resid 20 and name HA )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 116 weight 0.11000E+01 volume 530.52917 ppm1 4.5652218 ppm2 2.3414826
ASSI ( resid 27 and name HA )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 117 weight 0.11000E+01 volume 13.10040 ppm1 4.7156057 ppm2 2.5151563
ASSI ( resid 17 and name HA )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 118 weight 0.11000E+01 volume 30.99940 ppm1 4.5245953 ppm2 2.5276010
ASSI ( resid 3 and name HA )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 119 weight 0.11000E+01 volume 14.35550 ppm1 4.5993176 ppm2 2.4616897
ASSI ( resid 13 and name HA )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 120 weight 0.11000E+01 volume 9.08150 ppm1 4.8236780 ppm2 2.2944038
ASSI ( resid 19 and name HA )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 121 weight 0.11000E+01 volume 199.65930 ppm1 4.7907319 ppm2 1.9052905
ASSI ( resid 34 and name HA )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 122 weight 0.11000E+01 volume 21.59430 ppm1 4.7141037 ppm2 1.8611276
ASSI ( resid 32 and name HA )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 123 weight 0.11000E+01 volume 80.19170 ppm1 4.6588278 ppm2 1.8682785
  OR ( resid 32 and name HA )
     ( resid 33 and name HG1 )
ASSI ( resid 17 and name HA )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 124 weight 0.11000E+01 volume 41.03210 ppm1 4.5246191 ppm2 1.8644568
  OR ( resid 17 and name HA )
     ( resid 33 and name HG1 )
ASSI ( resid 32 and name HA )
     ( resid 33 and name HB1 )
     6.0 0.1 0.1 peak 125 weight 0.11000E+01 volume 5.34010 ppm1 4.6605420 ppm2 2.1292825
ASSI ( resid 3 and name HA )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 126 weight 0.11000E+01 volume 7.09270 ppm1 4.6005230 ppm2 1.8085421
ASSI ( resid 3 and name HA )
     ( resid 4 and name HB2 )
     6.0 0.1 0.1 peak 127 weight 0.11000E+01 volume 12.71450 ppm1 4.5982823 ppm2 1.7359699
ASSI ( resid 20 and name HA )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 128 weight 0.11000E+01 volume 10.31570 ppm1 4.5659013 ppm2 1.6814103
ASSI ( resid 32 and name HA )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 129 weight 0.11000E+01 volume 43.60630 ppm1 4.7053437 ppm2 1.7133259
ASSI ( resid 13 and name HA )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 130 weight 0.11000E+01 volume 120.83260 ppm1 4.8256688 ppm2 1.7258296
ASSI ( resid 19 and name HA )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 131 weight 0.11000E+01 volume 370.91409 ppm1 4.7919497 ppm2 1.6724120
  OR ( resid 19 and name HA )
     ( resid 18 and name HB )
ASSI ( resid 2 and name HA )
     ( resid 1 and name HB2 )
     6.0 0.1 0.1 peak 132 weight 0.11000E+01 volume 40.21400 ppm1 4.8405337 ppm2 1.6144508
  OR ( resid 2 and name HA )
     ( resid 1 and name HB1 )
  OR ( resid 2 and name HA )
     ( resid 1 and name HG )
ASSI ( resid 19 and name HA )
     ( resid 19 and name HD1 )
     6.0 0.1 0.1 peak 133 weight 0.11000E+01 volume 300.16440 ppm1 4.7914219 ppm2 1.5394422
  OR ( resid 19 and name HA )
     ( resid 19 and name HD2 )
ASSI ( resid 13 and name HA )
     ( resid 14 and name HG2 )
     6.0 0.1 0.1 peak 134 weight 0.11000E+01 volume 57.66670 ppm1 4.8252192 ppm2 1.5334756
  OR ( resid 13 and name HA )
     ( resid 14 and name HG1 )
  OR ( resid 13 and name HA )
     ( resid 19 and name HD1 )
  OR ( resid 13 and name HA )
     ( resid 19 and name HD2 )
  OR ( resid 29 and name HA )
     ( resid 14 and name HG2 )
  OR ( resid 29 and name HA )
     ( resid 14 and name HG1 )
  OR ( resid 29 and name HA )
     ( resid 19 and name HD1 )
  OR ( resid 29 and name HA )
     ( resid 19 and name HD2 )
ASSI ( resid 23 and name HA )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 135 weight 0.11000E+01 volume 41.36460 ppm1 4.8495111 ppm2 1.5061997
  OR ( resid 23 and name HA )
     ( resid 27 and name HB2 )
ASSI ( resid 27 and name HA )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 136 weight 0.11000E+01 volume 186.14630 ppm1 4.7180176 ppm2 1.6067795
ASSI ( resid 10 and name HA )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 137 weight 0.11000E+01 volume 113.74250 ppm1 4.5218062 ppm2 1.6054580
ASSI ( resid 10 and name HA )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 138 weight 0.11000E+01 volume 68.72540 ppm1 4.5213675 ppm2 1.4907416
  OR ( resid 10 and name HA )
     ( resid 27 and name HB1 )
ASSI ( resid 27 and name HA )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 139 weight 0.11000E+01 volume 296.68661 ppm1 4.7100039 ppm2 1.4901326
  OR ( resid 27 and name HA )
     ( resid 27 and name HB1 )
  OR ( resid 28 and name HA )
     ( resid 27 and name HB2 )
  OR ( resid 28 and name HA )
     ( resid 27 and name HB1 )
ASSI ( resid 28 and name HA )
     ( resid 19 and name HG2 )
     6.0 0.1 0.1 peak 140 weight 0.11000E+01 volume 30.16770 ppm1 4.7088242 ppm2 1.3717268
  OR ( resid 28 and name HA )
     ( resid 19 and name HG1 )
ASSI ( resid 31 and name HA )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 141 weight 0.11000E+01 volume 952.66937 ppm1 4.8241057 ppm2 1.3730594
  OR ( resid 31 and name HA )
     ( resid 18 and name HG11 )
ASSI ( resid 13 and name HA )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 142 weight 0.11000E+01 volume 29.84010 ppm1 4.8272028 ppm2 1.2905613
  OR ( resid 31 and name HA )
     ( resid 17 and name HB1 )
ASSI ( resid 19 and name HA )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 143 weight 0.11000E+01 volume 25.24030 ppm1 4.7830515 ppm2 1.2823445
  OR ( resid 19 and name HA )
     ( resid 36 and name HB1 )
  OR ( resid 35 and name HA )
     ( resid 17 and name HB1 )
  OR ( resid 35 and name HA )
     ( resid 36 and name HB1 )
ASSI ( resid 34 and name HA )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 144 weight 0.11000E+01 volume 5.80240 ppm1 4.7142096 ppm2 1.2832156
ASSI ( resid 32 and name HA )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 145 weight 0.11000E+01 volume 10.67370 ppm1 4.6562333 ppm2 1.2870458
  OR ( resid 32 and name HA )
     ( resid 17 and name HB1 )
ASSI ( resid 32 and name HA )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 146 weight 0.11000E+01 volume 32.07260 ppm1 4.6581597 ppm2 1.3713155
  OR ( resid 32 and name HA )
     ( resid 18 and name HG11 )
ASSI ( resid 3 and name HA )
     ( resid 4 and name HG2 )
     6.0 0.1 0.1 peak 147 weight 0.11000E+01 volume 10.74050 ppm1 4.5987220 ppm2 1.3558414
ASSI ( resid 3 and name HA )
     ( resid 4 and name HG1 )
     6.0 0.1 0.1 peak 148 weight 0.11000E+01 volume 14.79820 ppm1 4.6005287 ppm2 1.4381814
ASSI ( resid 32 and name HA )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 149 weight 0.11000E+01 volume 7.23870 ppm1 4.6559429 ppm2 1.1177518
ASSI ( resid 27 and name HA )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 150 weight 0.11000E+01 volume 224.36230 ppm1 4.7179894 ppm2 1.1131887
ASSI ( resid 9 and name HA )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 151 weight 0.11000E+01 volume 13.48310 ppm1 4.7736259 ppm2 1.1158143
ASSI ( resid 13 and name HA )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 152 weight 0.11000E+01 volume 21.52240 ppm1 4.8248386 ppm2 1.1215079
ASSI ( resid 19 and name HA )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 153 weight 0.11000E+01 volume 39.41330 ppm1 4.7939196 ppm2 0.8526930
  OR ( resid 19 and name HA )
     ( resid 20 and name HG12 )
  OR ( resid 19 and name HA )
     ( resid 20 and name HG13 )
  OR ( resid 31 and name HA )
     ( resid 20 and name HG11 )
  OR ( resid 31 and name HA )
     ( resid 20 and name HG12 )
  OR ( resid 31 and name HA )
     ( resid 20 and name HG13 )
ASSI ( resid 19 and name HA )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 154 weight 0.11000E+01 volume 15.27130 ppm1 4.7953038 ppm2 0.7939817
ASSI ( resid 32 and name HA )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 155 weight 0.11000E+01 volume 7.44290 ppm1 4.6563983 ppm2 0.9686835
ASSI ( resid 32 and name HA )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 156 weight 0.11000E+01 volume 10.21270 ppm1 4.6545520 ppm2 0.8433851
  OR ( resid 32 and name HA )
     ( resid 20 and name HG12 )
  OR ( resid 32 and name HA )
     ( resid 20 and name HG13 )
ASSI ( resid 32 and name HA )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 157 weight 0.11000E+01 volume 14.10200 ppm1 4.6563983 ppm2 0.7982777
ASSI ( resid 19 and name HA )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 158 weight 0.11000E+01 volume 7.95190 ppm1 4.7962270 ppm2 0.7352704
ASSI ( resid 32 and name HA )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 159 weight 0.11000E+01 volume 8.16690 ppm1 4.6577826 ppm2 0.7352704
ASSI ( resid 32 and name HA )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 160 weight 0.11000E+01 volume 24.14400 ppm1 4.6601110 ppm2 0.9075515
ASSI ( resid 20 and name HA )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 161 weight 0.11000E+01 volume 553.13910 ppm1 4.5651565 ppm2 0.8525496
  OR ( resid 20 and name HA )
     ( resid 20 and name HG13 )
  OR ( resid 20 and name HA )
     ( resid 20 and name HG12 )
ASSI ( resid 3 and name HA )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 162 weight 0.11000E+01 volume 25.38850 ppm1 4.5953016 ppm2 0.5531359
  OR ( resid 3 and name HA )
     ( resid 20 and name HG22 )
  OR ( resid 3 and name HA )
     ( resid 20 and name HG23 )
ASSI ( resid 31 and name HA )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 163 weight 0.11000E+01 volume 47.60520 ppm1 4.8307710 ppm2 0.5539656
  OR ( resid 31 and name HA )
     ( resid 20 and name HG22 )
  OR ( resid 31 and name HA )
     ( resid 20 and name HG23 )
ASSI ( resid 19 and name HA )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 164 weight 0.11000E+01 volume 89.29780 ppm1 4.8001280 ppm2 0.5523063
  OR ( resid 19 and name HA )
     ( resid 20 and name HG23 )
  OR ( resid 19 and name HA )
     ( resid 20 and name HG22 )
  OR ( resid 29 and name HA )
     ( resid 20 and name HG21 )
  OR ( resid 29 and name HA )
     ( resid 20 and name HG23 )
  OR ( resid 29 and name HA )
     ( resid 20 and name HG22 )
ASSI ( resid 19 and name HA )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 165 weight 0.11000E+01 volume 5.52680 ppm1 4.7841144 ppm2 0.3307354
ASSI ( resid 32 and name HA )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 166 weight 0.11000E+01 volume 20.57760 ppm1 4.6575017 ppm2 0.3294626
  OR ( resid 32 and name HA )
     ( resid 17 and name HD13 )
  OR ( resid 32 and name HA )
     ( resid 17 and name HD12 )
ASSI ( resid 20 and name HA )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 167 weight 0.11000E+01 volume 120.17800 ppm1 4.5662713 ppm2 0.5547952
  OR ( resid 20 and name HA )
     ( resid 20 and name HG22 )
  OR ( resid 20 and name HA )
     ( resid 20 and name HG23 )
ASSI ( resid 13 and name HA )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 168 weight 0.11000E+01 volume 72.36680 ppm1 4.8257098 ppm2 0.3287271
  OR ( resid 13 and name HA )
     ( resid 17 and name HD13 )
  OR ( resid 13 and name HA )
     ( resid 17 and name HD11 )
  OR ( resid 31 and name HA )
     ( resid 17 and name HD12 )
  OR ( resid 31 and name HA )
     ( resid 17 and name HD13 )
  OR ( resid 31 and name HA )
     ( resid 17 and name HD11 )
ASSI ( resid 32 and name HA )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 169 weight 0.11000E+01 volume 252.85091 ppm1 4.6593251 ppm2 0.0722451
  OR ( resid 32 and name HA )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HA )
     ( resid 17 and name HD23 )
ASSI ( resid 31 and name HA )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 170 weight 0.11000E+01 volume 55.86600 ppm1 4.8285966 ppm2 0.0706590
  OR ( resid 31 and name HA )
     ( resid 17 and name HD22 )
  OR ( resid 31 and name HA )
     ( resid 17 and name HD23 )
ASSI ( resid 14 and name HA )
     ( resid 15 and name HA )
     6.0 0.1 0.1 peak 171 weight 0.11000E+01 volume 25.30830 ppm1 4.4226103 ppm2 3.9538949
ASSI ( resid 26 and name HA )
     ( resid 22 and name HB1 )
     6.0 0.1 0.1 peak 172 weight 0.11000E+01 volume 17.18200 ppm1 4.4519000 ppm2 3.8938599
ASSI ( resid 21 and name HA1 )
     ( resid 21 and name HA2 )
     6.0 0.1 0.1 peak 173 weight 0.11000E+01 volume 1033.76770 ppm1 4.3335228 ppm2 4.0342169
ASSI ( resid 26 and name HA )
     ( resid 22 and name HB2 )
     6.0 0.1 0.1 peak 174 weight 0.11000E+01 volume 19.08720 ppm1 4.4477005 ppm2 3.7631404
ASSI ( resid 14 and name HA )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 175 weight 0.11000E+01 volume 19.45520 ppm1 4.4250479 ppm2 3.6955285
  OR ( resid 14 and name HA )
     ( resid 15 and name HB1 )
ASSI ( resid 16 and name HA )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 176 weight 0.11000E+01 volume 11.31740 ppm1 4.2974658 ppm2 3.6822448
  OR ( resid 16 and name HA )
     ( resid 15 and name HB1 )
ASSI ( resid 6 and name HA1 )
     ( resid 6 and name HA2 )
     6.0 0.1 0.1 peak 177 weight 0.11000E+01 volume 928.77972 ppm1 4.2042608 ppm2 3.8064067
ASSI ( resid 5 and name HA1 )
     ( resid 5 and name HA2 )
     6.0 0.1 0.1 peak 178 weight 0.11000E+01 volume 1626.20056 ppm1 3.9954004 ppm2 3.8787446
ASSI ( resid 16 and name HA )
     ( resid 16 and name HB1 )
     6.0 0.1 0.1 peak 179 weight 0.11000E+01 volume 236.42239 ppm1 4.3002157 ppm2 3.4636743
ASSI ( resid 33 and name HA )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 180 weight 0.11000E+01 volume 26.38030 ppm1 4.2396712 ppm2 3.3535933
ASSI ( resid 16 and name HA )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 181 weight 0.11000E+01 volume 344.10840 ppm1 4.3019047 ppm2 3.2149298
ASSI ( resid 11 and name HA1 )
     ( resid 11 and name HA2 )
     6.0 0.1 0.1 peak 182 weight 0.11000E+01 volume 1378.20374 ppm1 3.9803665 ppm2 3.4252379
ASSI ( resid 24 and name HA )
     ( resid 24 and name HB1 )
     6.0 0.1 0.1 peak 183 weight 0.11000E+01 volume 307.10641 ppm1 4.2549944 ppm2 3.0747375
ASSI ( resid 24 and name HA )
     ( resid 24 and name HB2 )
     6.0 0.1 0.1 peak 184 weight 0.11000E+01 volume 255.21651 ppm1 4.2545562 ppm2 2.9758103
ASSI ( resid 21 and name HA1 )
     ( resid 19 and name HE2 )
     6.0 0.1 0.1 peak 185 weight 0.11000E+01 volume 9.33280 ppm1 4.3327193 ppm2 2.9020758
ASSI ( resid 4 and name HA )
     ( resid 4 and name HE2 )
     6.0 0.1 0.1 peak 186 weight 0.11000E+01 volume 11.31810 ppm1 4.0596175 ppm2 2.9831986
  OR ( resid 4 and name HA )
     ( resid 4 and name HE1 )
ASSI ( resid 36 and name HA )
     ( resid 35 and name HB1 )
     6.0 0.1 0.1 peak 187 weight 0.11000E+01 volume 6.40010 ppm1 4.0721045 ppm2 2.7259037
ASSI ( resid 21 and name HA2 )
     ( resid 19 and name HE2 )
     6.0 0.1 0.1 peak 188 weight 0.11000E+01 volume 24.33270 ppm1 4.0312200 ppm2 2.8992460
ASSI ( resid 14 and name HA )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 189 weight 0.11000E+01 volume 7.60510 ppm1 4.4233212 ppm2 2.5264387
ASSI ( resid 18 and name HA )
     ( resid 13 and name HB2 )
     6.0 0.1 0.1 peak 190 weight 0.11000E+01 volume 32.62790 ppm1 4.3737183 ppm2 2.5250812
ASSI ( resid 21 and name HA1 )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 191 weight 0.11000E+01 volume 26.54050 ppm1 4.3300171 ppm2 2.4605820
ASSI ( resid 21 and name HA1 )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 192 weight 0.11000E+01 volume 40.36060 ppm1 4.3310733 ppm2 2.3908923
ASSI ( resid 14 and name HA )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 193 weight 0.11000E+01 volume 472.62689 ppm1 4.4245443 ppm2 2.2938242
ASSI ( resid 33 and name HA )
     ( resid 33 and name HB1 )
     6.0 0.1 0.1 peak 194 weight 0.11000E+01 volume 413.25171 ppm1 4.2301197 ppm2 2.1300781
  OR ( resid 33 and name HA )
     ( resid 33 and name HB2 )
ASSI ( resid 18 and name HA )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 195 weight 0.11000E+01 volume 18.12700 ppm1 4.3749042 ppm2 1.8933692
ASSI ( resid 36 and name HA )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 196 weight 0.11000E+01 volume 5.90370 ppm1 4.0710931 ppm2 2.5760837
ASSI ( resid 21 and name HA2 )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 197 weight 0.11000E+01 volume 6.98080 ppm1 4.0308967 ppm2 2.4614456
ASSI ( resid 21 and name HA2 )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 198 weight 0.11000E+01 volume 10.66600 ppm1 4.0297642 ppm2 2.3923128
ASSI ( resid 21 and name HA2 )
     ( resid 20 and name HB )
     6.0 0.1 0.1 peak 199 weight 0.11000E+01 volume 11.70820 ppm1 4.0320287 ppm2 2.3459325
ASSI ( resid 33 and name HA )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 200 weight 0.11000E+01 volume 344.01120 ppm1 4.2307911 ppm2 1.8586936
  OR ( resid 33 and name HA )
     ( resid 33 and name HG1 )
ASSI ( resid 4 and name HA )
     ( resid 4 and name HG1 )
     6.0 0.1 0.1 peak 201 weight 0.11000E+01 volume 182.63850 ppm1 4.0599365 ppm2 1.4382488
ASSI ( resid 14 and name HA )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 202 weight 0.11000E+01 volume 329.39090 ppm1 4.4246759 ppm2 1.7285426
ASSI ( resid 18 and name HA )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 203 weight 0.11000E+01 volume 366.60040 ppm1 4.3746476 ppm2 1.6740941
  OR ( resid 18 and name HA )
     ( resid 19 and name HB2 )
ASSI ( resid 14 and name HA )
     ( resid 14 and name HG1 )
     6.0 0.1 0.1 peak 204 weight 0.11000E+01 volume 51.71840 ppm1 4.4247775 ppm2 1.5299979
  OR ( resid 14 and name HA )
     ( resid 14 and name HG2 )
ASSI ( resid 33 and name HA )
     ( resid 18 and name HB )
     6.0 0.1 0.1 peak 205 weight 0.11000E+01 volume 30.95740 ppm1 4.2307367 ppm2 1.6743441
ASSI ( resid 4 and name HA )
     ( resid 4 and name HB1 )
     6.0 0.1 0.1 peak 206 weight 0.11000E+01 volume 300.60660 ppm1 4.0606165 ppm2 1.8145506
ASSI ( resid 4 and name HA )
     ( resid 4 and name HB2 )
     6.0 0.1 0.1 peak 207 weight 0.11000E+01 volume 486.41229 ppm1 4.0586271 ppm2 1.7427895
ASSI ( resid 4 and name HA )
     ( resid 4 and name HG2 )
     6.0 0.1 0.1 peak 208 weight 0.11000E+01 volume 111.57410 ppm1 4.0616441 ppm2 1.3449427
ASSI ( resid 36 and name HA )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 209 weight 0.11000E+01 volume 418.13760 ppm1 4.0681539 ppm2 1.2852641
ASSI ( resid 33 and name HA )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 210 weight 0.11000E+01 volume 71.92720 ppm1 4.2307873 ppm2 1.2818879
ASSI ( resid 21 and name HA1 )
     ( resid 19 and name HG1 )
     6.0 0.1 0.1 peak 211 weight 0.11000E+01 volume 23.81760 ppm1 4.3352165 ppm2 1.3728094
ASSI ( resid 6 and name HA1 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 212 weight 0.11000E+01 volume 45.11040 ppm1 4.1935177 ppm2 1.3724624
ASSI ( resid 18 and name HA )
     ( resid 18 and name HG11 )
     6.0 0.1 0.1 peak 213 weight 0.11000E+01 volume 125.02500 ppm1 4.3733673 ppm2 1.3617287
ASSI ( resid 18 and name HA )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 214 weight 0.11000E+01 volume 17.61870 ppm1 4.3705416 ppm2 1.2893339
ASSI ( resid 20 and name HA )
     ( resid 19 and name HG1 )
     6.0 0.1 0.1 peak 215 weight 0.11000E+01 volume 40.65730 ppm1 4.5648470 ppm2 1.3691882
  OR ( resid 20 and name HA )
     ( resid 18 and name HG11 )
  OR ( resid 20 and name HA )
     ( resid 31 and name HB1 )
ASSI ( resid 17 and name HA )
     ( resid 18 and name HG11 )
     6.0 0.1 0.1 peak 216 weight 0.11000E+01 volume 55.69010 ppm1 4.5241861 ppm2 1.3668883
ASSI ( resid 17 and name HA )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 217 weight 0.11000E+01 volume 168.33310 ppm1 4.5259700 ppm2 1.2945050
ASSI ( resid 33 and name HA )
     ( resid 18 and name HG11 )
     6.0 0.1 0.1 peak 218 weight 0.11000E+01 volume 161.48759 ppm1 4.2274094 ppm2 1.3674458
ASSI ( resid 17 and name HA )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 219 weight 0.11000E+01 volume 572.54938 ppm1 4.5241289 ppm2 1.1163596
  OR ( resid 17 and name HA )
     ( resid 27 and name HG2 )
  OR ( resid 10 and name HA )
     ( resid 17 and name HB2 )
  OR ( resid 10 and name HA )
     ( resid 27 and name HG2 )
ASSI ( resid 18 and name HA )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 220 weight 0.11000E+01 volume 8.54510 ppm1 4.3719964 ppm2 1.1250571
ASSI ( resid 18 and name HA )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 221 weight 0.11000E+01 volume 120.98720 ppm1 4.3728437 ppm2 0.9777853
ASSI ( resid 17 and name HA )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 222 weight 0.11000E+01 volume 129.72560 ppm1 4.5250139 ppm2 0.9076880
ASSI ( resid 17 and name HA )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 223 weight 0.11000E+01 volume 26.90660 ppm1 4.5233059 ppm2 0.7916746
ASSI ( resid 17 and name HA )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 224 weight 0.11000E+01 volume 14.43940 ppm1 4.5255661 ppm2 0.7379753
ASSI ( resid 17 and name HA )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 225 weight 0.11000E+01 volume 31.56720 ppm1 4.5246620 ppm2 0.9713884
ASSI ( resid 18 and name HA )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 226 weight 0.11000E+01 volume 457.43451 ppm1 4.3746095 ppm2 0.7916746
ASSI ( resid 18 and name HA )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 227 weight 0.11000E+01 volume 130.13200 ppm1 4.3725777 ppm2 0.7349594
ASSI ( resid 33 and name HA )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 228 weight 0.11000E+01 volume 104.06990 ppm1 4.2307000 ppm2 0.9776956
ASSI ( resid 33 and name HA )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 229 weight 0.11000E+01 volume 6.71950 ppm1 4.2267203 ppm2 0.8518954
  OR ( resid 33 and name HA )
     ( resid 20 and name HG12 )
  OR ( resid 33 and name HA )
     ( resid 20 and name HG13 )
ASSI ( resid 33 and name HA )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 230 weight 0.11000E+01 volume 71.61850 ppm1 4.2291794 ppm2 0.7933176
ASSI ( resid 33 and name HA )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 231 weight 0.11000E+01 volume 202.33971 ppm1 4.2307029 ppm2 0.7373656
ASSI ( resid 20 and name HA )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 232 weight 0.11000E+01 volume 6.40730 ppm1 4.5645790 ppm2 0.7357582
ASSI ( resid 20 and name HA )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 233 weight 0.11000E+01 volume 14.86430 ppm1 4.5621753 ppm2 0.7866627
ASSI ( resid 21 and name HA1 )
     ( resid 20 and name HG23 )
     6.0 0.1 0.1 peak 234 weight 0.11000E+01 volume 45.94710 ppm1 4.3318725 ppm2 0.5515108
  OR ( resid 21 and name HA1 )
     ( resid 20 and name HG22 )
ASSI ( resid 17 and name HA )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 235 weight 0.11000E+01 volume 387.90079 ppm1 4.5267124 ppm2 0.0718535
  OR ( resid 17 and name HA )
     ( resid 17 and name HD22 )
  OR ( resid 17 and name HA )
     ( resid 17 and name HD23 )
ASSI ( resid 6 and name HA1 )
     ( resid 20 and name HG23 )
     6.0 0.1 0.1 peak 236 weight 0.11000E+01 volume 16.38030 ppm1 4.2073870 ppm2 0.5555339
  OR ( resid 6 and name HA1 )
     ( resid 20 and name HG21 )
  OR ( resid 6 and name HA1 )
     ( resid 20 and name HG22 )
ASSI ( resid 14 and name HA )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 237 weight 0.11000E+01 volume 12.08930 ppm1 4.4235501 ppm2 0.3320722
  OR ( resid 14 and name HA )
     ( resid 17 and name HD12 )
  OR ( resid 14 and name HA )
     ( resid 17 and name HD13 )
ASSI ( resid 17 and name HA )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 238 weight 0.11000E+01 volume 73.52370 ppm1 4.5241055 ppm2 0.3275533
  OR ( resid 17 and name HA )
     ( resid 17 and name HD12 )
  OR ( resid 17 and name HA )
     ( resid 17 and name HD13 )
ASSI ( resid 7 and name HB1 )
     ( resid 7 and name HB2 )
     6.0 0.1 0.1 peak 239 weight 0.11000E+01 volume 2600.15967 ppm1 3.8880277 ppm2 3.7723346
  OR ( resid 7 and name HB1 )
     ( resid 22 and name HB2 )
  OR ( resid 22 and name HB1 )
     ( resid 7 and name HB2 )
  OR ( resid 22 and name HB1 )
     ( resid 22 and name HB2 )
ASSI ( resid 15 and name HA )
     ( resid 15 and name HB2 )
     6.0 0.1 0.1 peak 240 weight 0.11000E+01 volume 596.79742 ppm1 3.9549234 ppm2 3.6902230
  OR ( resid 15 and name HA )
     ( resid 15 and name HB1 )
ASSI ( resid 33 and name HD1 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 241 weight 0.11000E+01 volume 36.53300 ppm1 3.8696160 ppm2 3.2284653
ASSI ( resid 33 and name HD1 )
     ( resid 33 and name HD2 )
     6.0 0.1 0.1 peak 242 weight 0.11000E+01 volume 701.85809 ppm1 3.8677747 ppm2 3.3521159
ASSI ( resid 25 and name HA1 )
     ( resid 25 and name HA2 )
     6.0 0.1 0.1 peak 243 weight 0.11000E+01 volume 1613.82092 ppm1 3.7407343 ppm2 3.3743343
ASSI ( resid 28 and name HB2 )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 244 weight 0.11000E+01 volume 47.85100 ppm1 3.6443799 ppm2 2.9772661
  OR ( resid 28 and name HB1 )
     ( resid 9 and name HB2 )
ASSI ( resid 22 and name HB1 )
     ( resid 19 and name HE2 )
     6.0 0.1 0.1 peak 245 weight 0.11000E+01 volume 9.29540 ppm1 3.8941648 ppm2 2.9048147
  OR ( resid 22 and name HB1 )
     ( resid 19 and name HE1 )
ASSI ( resid 33 and name HD1 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 246 weight 0.11000E+01 volume 43.37110 ppm1 3.8650486 ppm2 2.5567241
ASSI ( resid 28 and name HB2 )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 247 weight 0.11000E+01 volume 8.86050 ppm1 3.6449625 ppm2 2.5214021
  OR ( resid 28 and name HB2 )
     ( resid 13 and name HB2 )
  OR ( resid 28 and name HB1 )
     ( resid 13 and name HB1 )
  OR ( resid 28 and name HB1 )
     ( resid 13 and name HB2 )
ASSI ( resid 28 and name HB1 )
     ( resid 19 and name HE2 )
     6.0 0.1 0.1 peak 248 weight 0.11000E+01 volume 144.38800 ppm1 3.6462657 ppm2 2.9113770
  OR ( resid 28 and name HB1 )
     ( resid 19 and name HE1 )
  OR ( resid 28 and name HB2 )
     ( resid 19 and name HE2 )
  OR ( resid 28 and name HB2 )
     ( resid 19 and name HE1 )
ASSI ( resid 33 and name HD1 )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 249 weight 0.11000E+01 volume 38.93340 ppm1 3.8732710 ppm2 2.6208370
  OR ( resid 33 and name HD1 )
     ( resid 30 and name HB2 )
  OR ( resid 7 and name HB1 )
     ( resid 32 and name HB1 )
  OR ( resid 7 and name HB1 )
     ( resid 30 and name HB2 )
ASSI ( resid 33 and name HD1 )
     ( resid 33 and name HB1 )
     6.0 0.1 0.1 peak 250 weight 0.11000E+01 volume 58.80980 ppm1 3.8664913 ppm2 2.1300831
  OR ( resid 33 and name HD1 )
     ( resid 33 and name HB2 )
ASSI ( resid 33 and name HD1 )
     ( resid 33 and name HG1 )
     6.0 0.1 0.1 peak 251 weight 0.11000E+01 volume 388.46729 ppm1 3.8682680 ppm2 1.8671800
  OR ( resid 33 and name HD1 )
     ( resid 33 and name HG2 )
ASSI ( resid 28 and name HB1 )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 252 weight 0.11000E+01 volume 15.49750 ppm1 3.6484103 ppm2 1.9064703
ASSI ( resid 28 and name HB1 )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 253 weight 0.11000E+01 volume 234.15379 ppm1 3.6464353 ppm2 1.7081889
ASSI ( resid 15 and name HA )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 254 weight 0.11000E+01 volume 20.97040 ppm1 3.9525285 ppm2 1.7293944
ASSI ( resid 1 and name HA )
     ( resid 1 and name HB2 )
     6.0 0.1 0.1 peak 255 weight 0.11000E+01 volume 613.33398 ppm1 3.9362688 ppm2 1.6157577
  OR ( resid 1 and name HA )
     ( resid 1 and name HB1 )
  OR ( resid 1 and name HA )
     ( resid 1 and name HG )
ASSI ( resid 25 and name HA1 )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 256 weight 0.11000E+01 volume 19.72740 ppm1 3.7450874 ppm2 1.6060407
ASSI ( resid 28 and name HB1 )
     ( resid 19 and name HG2 )
     6.0 0.1 0.1 peak 257 weight 0.11000E+01 volume 68.96620 ppm1 3.6473293 ppm2 1.3662143
  OR ( resid 28 and name HB1 )
     ( resid 19 and name HG1 )
  OR ( resid 28 and name HB2 )
     ( resid 19 and name HG2 )
  OR ( resid 28 and name HB2 )
     ( resid 19 and name HG1 )
ASSI ( resid 6 and name HA2 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 258 weight 0.11000E+01 volume 96.86230 ppm1 3.8072779 ppm2 1.3722526
ASSI ( resid 33 and name HD1 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 259 weight 0.11000E+01 volume 74.01180 ppm1 3.8724513 ppm2 1.3671952
  OR ( resid 33 and name HD1 )
     ( resid 18 and name HG11 )
  OR ( resid 5 and name HA2 )
     ( resid 31 and name HB1 )
  OR ( resid 5 and name HA2 )
     ( resid 18 and name HG11 )
ASSI ( resid 5 and name HA1 )
     ( resid 18 and name HG11 )
     6.0 0.1 0.1 peak 260 weight 0.11000E+01 volume 40.97070 ppm1 3.9920416 ppm2 1.3712412
  OR ( resid 5 and name HA1 )
     ( resid 31 and name HB1 )
ASSI ( resid 28 and name HB1 )
     ( resid 19 and name HD2 )
     6.0 0.1 0.1 peak 261 weight 0.11000E+01 volume 195.75101 ppm1 3.6471589 ppm2 1.5394787
  OR ( resid 28 and name HB1 )
     ( resid 19 and name HD1 )
  OR ( resid 28 and name HB2 )
     ( resid 19 and name HD2 )
  OR ( resid 28 and name HB2 )
     ( resid 19 and name HD1 )
ASSI ( resid 33 and name HD1 )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 262 weight 0.11000E+01 volume 30.37550 ppm1 3.8680220 ppm2 0.9734569
ASSI ( resid 33 and name HD1 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 263 weight 0.11000E+01 volume 21.61230 ppm1 3.8770695 ppm2 1.2847410
  OR ( resid 33 and name HD1 )
     ( resid 17 and name HB1 )
ASSI ( resid 4 and name HA )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 264 weight 0.11000E+01 volume 74.09640 ppm1 4.0685329 ppm2 0.8525339
  OR ( resid 4 and name HA )
     ( resid 20 and name HG12 )
  OR ( resid 4 and name HA )
     ( resid 20 and name HG13 )
ASSI ( resid 33 and name HD1 )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 265 weight 0.11000E+01 volume 33.85720 ppm1 3.8686264 ppm2 0.7924212
ASSI ( resid 33 and name HD1 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 266 weight 0.11000E+01 volume 16.16610 ppm1 3.8705530 ppm2 0.7337362
ASSI ( resid 4 and name HA )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 267 weight 0.11000E+01 volume 21.38050 ppm1 4.0584235 ppm2 0.5506811
  OR ( resid 4 and name HA )
     ( resid 20 and name HG22 )
  OR ( resid 4 and name HA )
     ( resid 20 and name HG23 )
ASSI ( resid 5 and name HA1 )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 268 weight 0.11000E+01 volume 62.88430 ppm1 3.9900339 ppm2 0.5525677
  OR ( resid 5 and name HA1 )
     ( resid 20 and name HG23 )
  OR ( resid 5 and name HA1 )
     ( resid 20 and name HG22 )
ASSI ( resid 33 and name HD1 )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 269 weight 0.11000E+01 volume 32.41860 ppm1 3.8716900 ppm2 0.5535110
  OR ( resid 33 and name HD1 )
     ( resid 20 and name HG23 )
  OR ( resid 33 and name HD1 )
     ( resid 20 and name HG21 )
  OR ( resid 5 and name HA2 )
     ( resid 20 and name HG22 )
  OR ( resid 5 and name HA2 )
     ( resid 20 and name HG23 )
  OR ( resid 5 and name HA2 )
     ( resid 20 and name HG21 )
ASSI ( resid 6 and name HA2 )
     ( resid 20 and name HG23 )
     6.0 0.1 0.1 peak 270 weight 0.11000E+01 volume 28.51950 ppm1 3.8080580 ppm2 0.5506811
  OR ( resid 6 and name HA2 )
     ( resid 20 and name HG21 )
  OR ( resid 6 and name HA2 )
     ( resid 20 and name HG22 )
ASSI ( resid 33 and name HD1 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 271 weight 0.11000E+01 volume 13.58180 ppm1 3.8749034 ppm2 0.3290029
  OR ( resid 33 and name HD1 )
     ( resid 17 and name HD12 )
  OR ( resid 33 and name HD1 )
     ( resid 17 and name HD13 )
ASSI ( resid 33 and name HD1 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 272 weight 0.11000E+01 volume 86.03730 ppm1 3.8700154 ppm2 0.0720862
  OR ( resid 33 and name HD1 )
     ( resid 17 and name HD22 )
  OR ( resid 33 and name HD1 )
     ( resid 17 and name HD23 )
ASSI ( resid 16 and name HB1 )
     ( resid 16 and name HB2 )
     6.0 0.1 0.1 peak 273 weight 0.11000E+01 volume 1488.64978 ppm1 3.4612412 ppm2 3.2196610
ASSI ( resid 9 and name HB1 )
     ( resid 9 and name HB2 )
     6.0 0.1 0.1 peak 274 weight 0.11000E+01 volume 666.15948 ppm1 3.2900827 ppm2 2.9788113
ASSI ( resid 3 and name HB1 )
     ( resid 3 and name HB2 )
     6.0 0.1 0.1 peak 275 weight 0.11000E+01 volume 888.77002 ppm1 3.3740048 ppm2 2.8327279
ASSI ( resid 33 and name HD2 )
     ( resid 32 and name HB1 )
     6.0 0.1 0.1 peak 276 weight 0.11000E+01 volume 38.20060 ppm1 3.3500454 ppm2 2.6161225
ASSI ( resid 14 and name HD1 )
     ( resid 14 and name HD2 )
     6.0 0.1 0.1 peak 277 weight 0.11000E+01 volume 783.15472 ppm1 3.1115563 ppm2 2.8558545
ASSI ( resid 33 and name HD2 )
     ( resid 32 and name HB2 )
     6.0 0.1 0.1 peak 278 weight 0.11000E+01 volume 51.80090 ppm1 3.3485515 ppm2 2.5540812
ASSI ( resid 23 and name HB1 )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 279 weight 0.11000E+01 volume 115.46470 ppm1 3.1864445 ppm2 2.5120025
  OR ( resid 23 and name HB2 )
     ( resid 8 and name HB2 )
ASSI ( resid 14 and name HD1 )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 280 weight 0.11000E+01 volume 48.64260 ppm1 3.1102800 ppm2 2.2906988
ASSI ( resid 14 and name HD1 )
     ( resid 13 and name HB1 )
     6.0 0.1 0.1 peak 281 weight 0.11000E+01 volume 114.96200 ppm1 3.1123068 ppm2 2.5241590
  OR ( resid 14 and name HD1 )
     ( resid 13 and name HB2 )
ASSI ( resid 3 and name HB1 )
     ( resid 29 and name HB1 )
     6.0 0.1 0.1 peak 282 weight 0.11000E+01 volume 31.21180 ppm1 3.3774965 ppm2 2.4653211
ASSI ( resid 33 and name HD2 )
     ( resid 33 and name HB1 )
     6.0 0.1 0.1 peak 283 weight 0.11000E+01 volume 30.73370 ppm1 3.3472242 ppm2 2.1306005
  OR ( resid 33 and name HD2 )
     ( resid 33 and name HB2 )
ASSI ( resid 33 and name HD2 )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 284 weight 0.11000E+01 volume 357.08249 ppm1 3.3483474 ppm2 1.8667480
  OR ( resid 33 and name HD2 )
     ( resid 33 and name HG1 )
ASSI ( resid 14 and name HD1 )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 285 weight 0.11000E+01 volume 330.44360 ppm1 3.1103725 ppm2 1.7302114
ASSI ( resid 23 and name HB2 )
     ( resid 27 and name HB1 )
     6.0 0.1 0.1 peak 286 weight 0.11000E+01 volume 545.95099 ppm1 3.1843739 ppm2 1.5057224
  OR ( resid 23 and name HB2 )
     ( resid 27 and name HB2 )
  OR ( resid 23 and name HB1 )
     ( resid 27 and name HB1 )
  OR ( resid 23 and name HB1 )
     ( resid 27 and name HB2 )
ASSI ( resid 23 and name HB2 )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 287 weight 0.11000E+01 volume 72.68680 ppm1 3.1844342 ppm2 1.6106405
  OR ( resid 26 and name HB2 )
     ( resid 27 and name HG1 )
  OR ( resid 23 and name HB1 )
     ( resid 27 and name HG1 )
ASSI ( resid 14 and name HD1 )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 288 weight 0.11000E+01 volume 21.16420 ppm1 3.1090143 ppm2 1.2959712
ASSI ( resid 16 and name HB2 )
     ( resid 18 and name HG11 )
     6.0 0.1 0.1 peak 289 weight 0.11000E+01 volume 19.85270 ppm1 3.2262418 ppm2 1.3398826
  OR ( resid 16 and name HB2 )
     ( resid 4 and name HG2 )
  OR ( resid 2 and name HB1 )
     ( resid 18 and name HG11 )
  OR ( resid 2 and name HB1 )
     ( resid 4 and name HG2 )
ASSI ( resid 23 and name HB2 )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 290 weight 0.11000E+01 volume 27.59890 ppm1 3.1869285 ppm2 1.1199168
  OR ( resid 23 and name HB1 )
     ( resid 27 and name HG2 )
ASSI ( resid 25 and name HA2 )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 291 weight 0.11000E+01 volume 10.01980 ppm1 3.3755553 ppm2 1.6084614
  OR ( resid 25 and name HA2 )
     ( resid 1 and name HB1 )
  OR ( resid 25 and name HA2 )
     ( resid 1 and name HB2 )
  OR ( resid 3 and name HB1 )
     ( resid 27 and name HG1 )
  OR ( resid 3 and name HB1 )
     ( resid 1 and name HB1 )
  OR ( resid 3 and name HB1 )
     ( resid 1 and name HB2 )
ASSI ( resid 14 and name HD1 )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 292 weight 0.11000E+01 volume 49.72700 ppm1 3.1177683 ppm2 1.1156943
  OR ( resid 14 and name HD1 )
     ( resid 27 and name HG2 )
  OR ( resid 10 and name HB1 )
     ( resid 17 and name HB2 )
  OR ( resid 10 and name HB1 )
     ( resid 27 and name HG2 )
ASSI ( resid 16 and name HB2 )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 293 weight 0.11000E+01 volume 29.35000 ppm1 3.2149172 ppm2 0.9092563
ASSI ( resid 24 and name HB1 )
     ( resid 1 and name HD23 )
     6.0 0.1 0.1 peak 294 weight 0.11000E+01 volume 47.67100 ppm1 3.0840516 ppm2 0.9056764
  OR ( resid 24 and name HB1 )
     ( resid 1 and name HD21 )
  OR ( resid 24 and name HB1 )
     ( resid 1 and name HD22 )
ASSI ( resid 16 and name HB1 )
     ( resid 17 and name HD13 )
     6.0 0.1 0.1 peak 295 weight 0.11000E+01 volume 13.14120 ppm1 3.4630320 ppm2 0.3268373
  OR ( resid 16 and name HB1 )
     ( resid 17 and name HD11 )
ASSI ( resid 16 and name HB1 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 296 weight 0.11000E+01 volume 22.75470 ppm1 3.4569805 ppm2 0.0690804
  OR ( resid 16 and name HB1 )
     ( resid 17 and name HD21 )
  OR ( resid 16 and name HB1 )
     ( resid 17 and name HD23 )
ASSI ( resid 33 and name HD2 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 297 weight 0.11000E+01 volume 40.07930 ppm1 3.3488083 ppm2 0.0738537
  OR ( resid 33 and name HD2 )
     ( resid 17 and name HD22 )
  OR ( resid 33 and name HD2 )
     ( resid 17 and name HD23 )
ASSI ( resid 16 and name HB2 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 298 weight 0.11000E+01 volume 13.38580 ppm1 3.2171865 ppm2 0.3292239
  OR ( resid 16 and name HB2 )
     ( resid 17 and name HD13 )
  OR ( resid 16 and name HB2 )
     ( resid 17 and name HD11 )
ASSI ( resid 16 and name HB2 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 299 weight 0.11000E+01 volume 13.63270 ppm1 3.2171865 ppm2 0.0738537
  OR ( resid 16 and name HB2 )
     ( resid 17 and name HD21 )
  OR ( resid 16 and name HB2 )
     ( resid 17 and name HD23 )
ASSI ( resid 14 and name HD1 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 300 weight 0.11000E+01 volume 5.47070 ppm1 3.1106026 ppm2 0.0719002
  OR ( resid 14 and name HD1 )
     ( resid 17 and name HD23 )
  OR ( resid 14 and name HD1 )
     ( resid 17 and name HD21 )
ASSI ( resid 14 and name HD1 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 301 weight 0.11000E+01 volume 103.12240 ppm1 3.1113317 ppm2 0.3292954
  OR ( resid 14 and name HD1 )
     ( resid 17 and name HD13 )
  OR ( resid 14 and name HD1 )
     ( resid 17 and name HD11 )
ASSI ( resid 8 and name HB1 )
     ( resid 8 and name HB2 )
     6.0 0.1 0.1 peak 302 weight 0.11000E+01 volume 1583.10754 ppm1 2.8578513 ppm2 2.5149033
  OR ( resid 8 and name HB1 )
     ( resid 13 and name HB2 )
  OR ( resid 8 and name HB1 )
     ( resid 13 and name HB1 )
  OR ( resid 14 and name HD2 )
     ( resid 8 and name HB2 )
  OR ( resid 14 and name HD2 )
     ( resid 13 and name HB2 )
  OR ( resid 14 and name HD2 )
     ( resid 13 and name HB1 )
ASSI ( resid 35 and name HB1 )
     ( resid 35 and name HB2 )
     6.0 0.1 0.1 peak 303 weight 0.11000E+01 volume 1679.32764 ppm1 2.7313612 ppm2 2.5771182
ASSI ( resid 3 and name HB2 )
     ( resid 29 and name HB2 )
     6.0 0.1 0.1 peak 304 weight 0.11000E+01 volume 24.57910 ppm1 2.8335674 ppm2 2.3950062
ASSI ( resid 14 and name HD2 )
     ( resid 14 and name HB1 )
     6.0 0.1 0.1 peak 305 weight 0.11000E+01 volume 37.15250 ppm1 2.8527069 ppm2 2.2858686
ASSI ( resid 19 and name HE2 )
     ( resid 19 and name HB1 )
     6.0 0.1 0.1 peak 306 weight 0.11000E+01 volume 34.43750 ppm1 2.9001777 ppm2 1.9094961
  OR ( resid 19 and name HE1 )
     ( resid 19 and name HB1 )
ASSI ( resid 14 and name HD2 )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 307 weight 0.11000E+01 volume 188.20599 ppm1 2.8525500 ppm2 1.7277025
ASSI ( resid 8 and name HB1 )
     ( resid 1 and name HB2 )
     6.0 0.1 0.1 peak 308 weight 0.11000E+01 volume 204.86850 ppm1 2.8581438 ppm2 1.6136816
  OR ( resid 8 and name HB1 )
     ( resid 1 and name HB1 )
  OR ( resid 8 and name HB1 )
     ( resid 1 and name HG )
  OR ( resid 8 and name HB1 )
     ( resid 27 and name HG1 )
ASSI ( resid 14 and name HD2 )
     ( resid 14 and name HG2 )
     6.0 0.1 0.1 peak 309 weight 0.11000E+01 volume 194.65401 ppm1 2.8569283 ppm2 1.5302335
  OR ( resid 14 and name HD2 )
     ( resid 14 and name HG1 )
ASSI ( resid 19 and name HE2 )
     ( resid 19 and name HD2 )
     6.0 0.1 0.1 peak 310 weight 0.11000E+01 volume 195.20930 ppm1 2.8994718 ppm2 1.5392721
  OR ( resid 19 and name HE2 )
     ( resid 19 and name HD1 )
  OR ( resid 19 and name HE1 )
     ( resid 19 and name HD2 )
  OR ( resid 19 and name HE1 )
     ( resid 19 and name HD1 )
ASSI ( resid 27 and name HD1 )
     ( resid 27 and name HG1 )
     6.0 0.1 0.1 peak 311 weight 0.11000E+01 volume 329.43991 ppm1 2.7616811 ppm2 1.6087456
  OR ( resid 27 and name HD1 )
     ( resid 1 and name HG )
  OR ( resid 27 and name HD1 )
     ( resid 1 and name HB2 )
  OR ( resid 27 and name HD1 )
     ( resid 1 and name HB1 )
  OR ( resid 27 and name HD2 )
     ( resid 27 and name HG1 )
  OR ( resid 27 and name HD2 )
     ( resid 1 and name HG )
  OR ( resid 27 and name HD2 )
     ( resid 1 and name HB2 )
  OR ( resid 27 and name HD2 )
     ( resid 1 and name HB1 )
ASSI ( resid 4 and name HE2 )
     ( resid 4 and name HG2 )
     6.0 0.1 0.1 peak 312 weight 0.11000E+01 volume 88.78710 ppm1 2.9849854 ppm2 1.3388170
  OR ( resid 4 and name HE1 )
     ( resid 4 and name HG2 )
ASSI ( resid 19 and name HE2 )
     ( resid 19 and name HG2 )
     6.0 0.1 0.1 peak 313 weight 0.11000E+01 volume 297.40811 ppm1 2.8976655 ppm2 1.3655132
  OR ( resid 19 and name HE2 )
     ( resid 19 and name HG1 )
  OR ( resid 19 and name HE2 )
     ( resid 18 and name HG11 )
  OR ( resid 19 and name HE1 )
     ( resid 19 and name HG2 )
  OR ( resid 19 and name HE1 )
     ( resid 19 and name HG1 )
  OR ( resid 19 and name HE1 )
     ( resid 18 and name HG11 )
ASSI ( resid 14 and name HD1 )
     ( resid 14 and name HG1 )
     6.0 0.1 0.1 peak 314 weight 0.11000E+01 volume 221.98199 ppm1 3.1064739 ppm2 1.5286570
  OR ( resid 14 and name HD1 )
     ( resid 14 and name HG2 )
ASSI ( resid 4 and name HE1 )
     ( resid 4 and name HG1 )
     6.0 0.1 0.1 peak 315 weight 0.11000E+01 volume 94.19440 ppm1 2.9862509 ppm2 1.4347256
  OR ( resid 4 and name HE2 )
     ( resid 4 and name HG1 )
ASSI ( resid 35 and name HB1 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 316 weight 0.11000E+01 volume 11.24930 ppm1 2.7369466 ppm2 1.2824582
ASSI ( resid 32 and name HB1 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 317 weight 0.11000E+01 volume 260.54520 ppm1 2.6251636 ppm2 1.2947437
  OR ( resid 32 and name HB1 )
     ( resid 17 and name HB1 )
  OR ( resid 30 and name HB1 )
     ( resid 36 and name HB1 )
  OR ( resid 30 and name HB1 )
     ( resid 17 and name HB1 )
  OR ( resid 30 and name HB2 )
     ( resid 36 and name HB1 )
  OR ( resid 30 and name HB2 )
     ( resid 17 and name HB1 )
ASSI ( resid 32 and name HB2 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 318 weight 0.11000E+01 volume 95.50760 ppm1 2.5558131 ppm2 1.3692635
ASSI ( resid 30 and name HB1 )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 319 weight 0.11000E+01 volume 23.96250 ppm1 2.6288459 ppm2 1.3711501
  OR ( resid 30 and name HB2 )
     ( resid 31 and name HB1 )
ASSI ( resid 8 and name HB2 )
     ( resid 1 and name HB2 )
     6.0 0.1 0.1 peak 320 weight 0.11000E+01 volume 128.31171 ppm1 2.5116251 ppm2 1.6165079
  OR ( resid 8 and name HB2 )
     ( resid 1 and name HB1 )
  OR ( resid 8 and name HB2 )
     ( resid 1 and name HG )
ASSI ( resid 13 and name HB1 )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 321 weight 0.11000E+01 volume 28.04680 ppm1 2.5238996 ppm2 1.7344191
ASSI ( resid 13 and name HB2 )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 322 weight 0.11000E+01 volume 41.94880 ppm1 2.5251269 ppm2 1.6749918
  OR ( resid 13 and name HB1 )
     ( resid 19 and name HB2 )
ASSI ( resid 27 and name HD2 )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 323 weight 0.11000E+01 volume 423.93341 ppm1 2.7692740 ppm2 1.4950395
  OR ( resid 27 and name HD2 )
     ( resid 27 and name HB1 )
  OR ( resid 27 and name HD1 )
     ( resid 27 and name HB2 )
  OR ( resid 27 and name HD1 )
     ( resid 27 and name HB1 )
ASSI ( resid 14 and name HD2 )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 324 weight 0.11000E+01 volume 112.81670 ppm1 2.8557260 ppm2 1.2981420
ASSI ( resid 10 and name HB2 )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 325 weight 0.11000E+01 volume 58.32050 ppm1 3.0115609 ppm2 1.1131092
ASSI ( resid 8 and name HB1 )
     ( resid 1 and name HD21 )
     6.0 0.1 0.1 peak 326 weight 0.11000E+01 volume 74.49560 ppm1 2.8571694 ppm2 0.8926180
  OR ( resid 8 and name HB1 )
     ( resid 1 and name HD22 )
  OR ( resid 8 and name HB1 )
     ( resid 1 and name HD23 )
ASSI ( resid 14 and name HD2 )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 327 weight 0.11000E+01 volume 55.55160 ppm1 2.8566074 ppm2 1.1215684
  OR ( resid 14 and name HD2 )
     ( resid 27 and name HG2 )
  OR ( resid 8 and name HB1 )
     ( resid 17 and name HB2 )
  OR ( resid 8 and name HB1 )
     ( resid 27 and name HG2 )
ASSI ( resid 27 and name HD2 )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 328 weight 0.11000E+01 volume 318.33170 ppm1 2.7570190 ppm2 1.1143678
  OR ( resid 27 and name HD1 )
     ( resid 27 and name HG2 )
ASSI ( resid 27 and name HD1 )
     ( resid 1 and name HD21 )
     6.0 0.1 0.1 peak 329 weight 0.11000E+01 volume 58.11260 ppm1 2.7716053 ppm2 0.9103814
  OR ( resid 27 and name HD1 )
     ( resid 1 and name HD11 )
  OR ( resid 27 and name HD1 )
     ( resid 1 and name HD22 )
  OR ( resid 27 and name HD1 )
     ( resid 1 and name HD13 )
  OR ( resid 27 and name HD1 )
     ( resid 1 and name HD23 )
  OR ( resid 27 and name HD1 )
     ( resid 1 and name HD12 )
  OR ( resid 27 and name HD2 )
     ( resid 1 and name HD21 )
  OR ( resid 27 and name HD2 )
     ( resid 1 and name HD11 )
  OR ( resid 27 and name HD2 )
     ( resid 1 and name HD22 )
  OR ( resid 27 and name HD2 )
     ( resid 1 and name HD13 )
  OR ( resid 27 and name HD2 )
     ( resid 1 and name HD23 )
  OR ( resid 27 and name HD2 )
     ( resid 1 and name HD12 )
ASSI ( resid 14 and name HD2 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 330 weight 0.11000E+01 volume 237.23700 ppm1 2.8556414 ppm2 0.3295208
  OR ( resid 14 and name HD2 )
     ( resid 17 and name HD11 )
  OR ( resid 14 and name HD2 )
     ( resid 17 and name HD13 )
ASSI ( resid 14 and name HD2 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 331 weight 0.11000E+01 volume 17.68200 ppm1 2.8550060 ppm2 0.0710478
  OR ( resid 14 and name HD2 )
     ( resid 17 and name HD23 )
  OR ( resid 14 and name HD2 )
     ( resid 17 and name HD21 )
ASSI ( resid 14 and name HB1 )
     ( resid 14 and name HB2 )
     6.0 0.1 0.1 peak 332 weight 0.11000E+01 volume 1395.13867 ppm1 2.2907610 ppm2 1.7425336
ASSI ( resid 14 and name HB1 )
     ( resid 14 and name HG1 )
     6.0 0.1 0.1 peak 333 weight 0.11000E+01 volume 136.89951 ppm1 2.2871904 ppm2 1.5335187
  OR ( resid 14 and name HB1 )
     ( resid 14 and name HG2 )
ASSI ( resid 20 and name HB )
     ( resid 31 and name HB1 )
     6.0 0.1 0.1 peak 334 weight 0.11000E+01 volume 38.99560 ppm1 2.3407910 ppm2 1.3711488
ASSI ( resid 13 and name HB2 )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 335 weight 0.11000E+01 volume 206.80009 ppm1 2.5249538 ppm2 1.1209775
  OR ( resid 13 and name HB2 )
     ( resid 27 and name HG2 )
  OR ( resid 13 and name HB1 )
     ( resid 17 and name HB2 )
  OR ( resid 13 and name HB1 )
     ( resid 27 and name HG2 )
  OR ( resid 8 and name HB2 )
     ( resid 17 and name HB2 )
  OR ( resid 8 and name HB2 )
     ( resid 27 and name HG2 )
ASSI ( resid 30 and name HB1 )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 336 weight 0.11000E+01 volume 430.51801 ppm1 2.6196401 ppm2 1.1230649
  OR ( resid 30 and name HB2 )
     ( resid 17 and name HB2 )
ASSI ( resid 30 and name HB1 )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 337 weight 0.11000E+01 volume 12.64780 ppm1 2.6274900 ppm2 0.9086199
  OR ( resid 30 and name HB2 )
     ( resid 17 and name HG )
ASSI ( resid 8 and name HB2 )
     ( resid 27 and name HB2 )
     6.0 0.1 0.1 peak 338 weight 0.11000E+01 volume 218.83839 ppm1 2.5097837 ppm2 1.4995400
  OR ( resid 8 and name HB2 )
     ( resid 27 and name HB1 )
ASSI ( resid 13 and name HB2 )
     ( resid 17 and name HB1 )
     6.0 0.1 0.1 peak 339 weight 0.11000E+01 volume 370.72589 ppm1 2.5252278 ppm2 1.2961730
  OR ( resid 13 and name HB1 )
     ( resid 17 and name HB1 )
ASSI ( resid 8 and name HB2 )
     ( resid 1 and name HD22 )
     6.0 0.1 0.1 peak 340 weight 0.11000E+01 volume 57.61810 ppm1 2.5126145 ppm2 0.8904814
  OR ( resid 8 and name HB2 )
     ( resid 1 and name HD23 )
ASSI ( resid 13 and name HB2 )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 341 weight 0.11000E+01 volume 6.29070 ppm1 2.5283360 ppm2 0.7944245
ASSI ( resid 30 and name HB1 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 342 weight 0.11000E+01 volume 353.35031 ppm1 2.6314244 ppm2 0.3307354
  OR ( resid 30 and name HB1 )
     ( resid 17 and name HD13 )
  OR ( resid 30 and name HB1 )
     ( resid 17 and name HD12 )
  OR ( resid 30 and name HB2 )
     ( resid 17 and name HD11 )
  OR ( resid 30 and name HB2 )
     ( resid 17 and name HD13 )
  OR ( resid 30 and name HB2 )
     ( resid 17 and name HD12 )
ASSI ( resid 13 and name HB2 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 343 weight 0.11000E+01 volume 96.86450 ppm1 2.5259659 ppm2 0.3289654
  OR ( resid 13 and name HB2 )
     ( resid 17 and name HD13 )
  OR ( resid 13 and name HB2 )
     ( resid 17 and name HD11 )
  OR ( resid 13 and name HB1 )
     ( resid 17 and name HD12 )
  OR ( resid 13 and name HB1 )
     ( resid 17 and name HD13 )
  OR ( resid 13 and name HB1 )
     ( resid 17 and name HD11 )
ASSI ( resid 30 and name HB1 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 344 weight 0.11000E+01 volume 174.39259 ppm1 2.6227515 ppm2 0.0736378
  OR ( resid 30 and name HB1 )
     ( resid 17 and name HD22 )
  OR ( resid 30 and name HB1 )
     ( resid 17 and name HD23 )
  OR ( resid 30 and name HB2 )
     ( resid 17 and name HD21 )
  OR ( resid 30 and name HB2 )
     ( resid 17 and name HD22 )
  OR ( resid 30 and name HB2 )
     ( resid 17 and name HD23 )
  OR ( resid 32 and name HB1 )
     ( resid 17 and name HD21 )
  OR ( resid 32 and name HB1 )
     ( resid 17 and name HD22 )
  OR ( resid 32 and name HB1 )
     ( resid 17 and name HD23 )
ASSI ( resid 13 and name HB1 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 345 weight 0.11000E+01 volume 52.44670 ppm1 2.5298891 ppm2 0.0714630
  OR ( resid 13 and name HB1 )
     ( resid 17 and name HD23 )
  OR ( resid 13 and name HB1 )
     ( resid 17 and name HD21 )
ASSI ( resid 33 and name HB2 )
     ( resid 33 and name HG2 )
     6.0 0.1 0.1 peak 346 weight 0.11000E+01 volume 1476.62720 ppm1 2.1294961 ppm2 1.8598341
  OR ( resid 33 and name HB2 )
     ( resid 33 and name HG1 )
  OR ( resid 33 and name HB1 )
     ( resid 33 and name HG2 )
  OR ( resid 33 and name HB1 )
     ( resid 33 and name HG1 )
ASSI ( resid 19 and name HB1 )
     ( resid 19 and name HB2 )
     6.0 0.1 0.1 peak 347 weight 0.11000E+01 volume 1844.49451 ppm1 1.8999387 ppm2 1.6736763
ASSI ( resid 19 and name HB1 )
     ( resid 19 and name HD1 )
     6.0 0.1 0.1 peak 348 weight 0.11000E+01 volume 233.68520 ppm1 1.8995590 ppm2 1.5416434
  OR ( resid 19 and name HB1 )
     ( resid 19 and name HD2 )
ASSI ( resid 19 and name HB1 )
     ( resid 19 and name HG1 )
     6.0 0.1 0.1 peak 349 weight 0.11000E+01 volume 353.66971 ppm1 1.8986272 ppm2 1.3656156
  OR ( resid 19 and name HB1 )
     ( resid 19 and name HG2 )
ASSI ( resid 33 and name HB1 )
     ( resid 18 and name HG11 )
     6.0 0.1 0.1 peak 350 weight 0.11000E+01 volume 26.58430 ppm1 2.1282647 ppm2 1.3580520
ASSI ( resid 33 and name HB1 )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 351 weight 0.11000E+01 volume 50.81000 ppm1 2.1283789 ppm2 0.9778028
ASSI ( resid 33 and name HB1 )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 352 weight 0.11000E+01 volume 52.39610 ppm1 2.1308076 ppm2 0.7936818
  OR ( resid 33 and name HB2 )
     ( resid 18 and name HG21 )
ASSI ( resid 33 and name HB1 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 353 weight 0.11000E+01 volume 95.39160 ppm1 2.1309924 ppm2 0.7370628
ASSI ( resid 33 and name HG2 )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 354 weight 0.11000E+01 volume 122.25730 ppm1 1.8658229 ppm2 0.7947432
  OR ( resid 33 and name HG1 )
     ( resid 18 and name HG21 )
ASSI ( resid 33 and name HG2 )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 355 weight 0.11000E+01 volume 56.92580 ppm1 1.8616436 ppm2 0.9759977
  OR ( resid 33 and name HG1 )
     ( resid 18 and name HG12 )
ASSI ( resid 20 and name HB )
     ( resid 20 and name HG11 )
     6.0 0.1 0.1 peak 356 weight 0.11000E+01 volume 746.52600 ppm1 2.3408742 ppm2 0.8527129
  OR ( resid 20 and name HB )
     ( resid 20 and name HG12 )
  OR ( resid 20 and name HB )
     ( resid 20 and name HG13 )
ASSI ( resid 29 and name HB1 )
     ( resid 20 and name HG22 )
     6.0 0.1 0.1 peak 357 weight 0.11000E+01 volume 136.94620 ppm1 2.4558089 ppm2 0.5534972
  OR ( resid 29 and name HB1 )
     ( resid 20 and name HG21 )
  OR ( resid 29 and name HB1 )
     ( resid 20 and name HG23 )
ASSI ( resid 20 and name HB )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 358 weight 0.11000E+01 volume 757.90002 ppm1 2.3414154 ppm2 0.5534991
  OR ( resid 20 and name HB )
     ( resid 20 and name HG22 )
  OR ( resid 20 and name HB )
     ( resid 20 and name HG23 )
ASSI ( resid 33 and name HG2 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 359 weight 0.11000E+01 volume 102.20230 ppm1 1.8634621 ppm2 0.7366811
  OR ( resid 33 and name HG1 )
     ( resid 18 and name HD11 )
ASSI ( resid 14 and name HB1 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 360 weight 0.11000E+01 volume 26.84110 ppm1 2.2907708 ppm2 0.3276669
  OR ( resid 14 and name HB1 )
     ( resid 17 and name HD13 )
  OR ( resid 14 and name HB1 )
     ( resid 17 and name HD11 )
ASSI ( resid 33 and name HG1 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 361 weight 0.11000E+01 volume 8.71330 ppm1 1.8649713 ppm2 0.0732627
  OR ( resid 33 and name HG1 )
     ( resid 17 and name HD22 )
ASSI ( resid 14 and name HB2 )
     ( resid 14 and name HG2 )
     6.0 0.1 0.1 peak 362 weight 0.11000E+01 volume 1495.22009 ppm1 1.7203232 ppm2 1.5292479
  OR ( resid 14 and name HB2 )
     ( resid 14 and name HG1 )
ASSI ( resid 4 and name HB1 )
     ( resid 4 and name HG2 )
     6.0 0.1 0.1 peak 363 weight 0.11000E+01 volume 271.64120 ppm1 1.8038464 ppm2 1.3404422
ASSI ( resid 4 and name HB1 )
     ( resid 4 and name HG1 )
     6.0 0.1 0.1 peak 364 weight 0.11000E+01 volume 171.71660 ppm1 1.8019910 ppm2 1.4386921
ASSI ( resid 27 and name HB1 )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 365 weight 0.11000E+01 volume 411.52841 ppm1 1.4941071 ppm2 1.1219511
  OR ( resid 27 and name HB2 )
     ( resid 27 and name HG2 )
ASSI ( resid 33 and name HG2 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 366 weight 0.11000E+01 volume 25.22200 ppm1 1.8622928 ppm2 1.2845153
ASSI ( resid 27 and name HG1 )
     ( resid 27 and name HG2 )
     6.0 0.1 0.1 peak 367 weight 0.11000E+01 volume 910.29712 ppm1 1.6045409 ppm2 1.1148605
ASSI ( resid 4 and name HB2 )
     ( resid 4 and name HG1 )
     6.0 0.1 0.1 peak 368 weight 0.11000E+01 volume 271.12390 ppm1 1.7379783 ppm2 1.4371805
ASSI ( resid 19 and name HB2 )
     ( resid 19 and name HG2 )
     6.0 0.1 0.1 peak 369 weight 0.11000E+01 volume 1268.86011 ppm1 1.6823152 ppm2 1.3540460
  OR ( resid 19 and name HB2 )
     ( resid 18 and name HG11 )
  OR ( resid 19 and name HB2 )
     ( resid 19 and name HG1 )
  OR ( resid 18 and name HB )
     ( resid 19 and name HG2 )
  OR ( resid 18 and name HB )
     ( resid 18 and name HG11 )
  OR ( resid 18 and name HB )
     ( resid 19 and name HG1 )
ASSI ( resid 19 and name HD1 )
     ( resid 19 and name HG2 )
     6.0 0.1 0.1 peak 370 weight 0.11000E+01 volume 1366.08179 ppm1 1.5381696 ppm2 1.3657925
  OR ( resid 19 and name HD1 )
     ( resid 19 and name HG1 )
  OR ( resid 19 and name HD2 )
     ( resid 19 and name HG2 )
  OR ( resid 19 and name HD2 )
     ( resid 19 and name HG1 )
ASSI ( resid 18 and name HB )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 371 weight 0.11000E+01 volume 173.34520 ppm1 1.6767489 ppm2 0.9837194
ASSI ( resid 18 and name HG11 )
     ( resid 18 and name HG12 )
     6.0 0.1 0.1 peak 372 weight 0.11000E+01 volume 1179.11963 ppm1 1.3556010 ppm2 0.9757866
ASSI ( resid 14 and name HB2 )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 373 weight 0.11000E+01 volume 55.59200 ppm1 1.7366306 ppm2 0.9052997
ASSI ( resid 4 and name HB1 )
     ( resid 20 and name HG13 )
     6.0 0.1 0.1 peak 374 weight 0.11000E+01 volume 18.99540 ppm1 1.8122245 ppm2 0.8510110
  OR ( resid 4 and name HB1 )
     ( resid 20 and name HG12 )
  OR ( resid 4 and name HB1 )
     ( resid 20 and name HG11 )
ASSI ( resid 18 and name HB )
     ( resid 20 and name HG13 )
     6.0 0.1 0.1 peak 375 weight 0.11000E+01 volume 52.93930 ppm1 1.6740412 ppm2 0.8543546
  OR ( resid 18 and name HB )
     ( resid 20 and name HG12 )
  OR ( resid 18 and name HB )
     ( resid 20 and name HG11 )
ASSI ( resid 18 and name HB )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 376 weight 0.11000E+01 volume 630.17023 ppm1 1.6724528 ppm2 0.7950500
ASSI ( resid 18 and name HB )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 377 weight 0.11000E+01 volume 257.17349 ppm1 1.6724944 ppm2 0.7363052
ASSI ( resid 1 and name HG )
     ( resid 1 and name HD11 )
     6.0 0.1 0.1 peak 378 weight 0.11000E+01 volume 743.32440 ppm1 1.6173320 ppm2 0.9291108
  OR ( resid 1 and name HG )
     ( resid 1 and name HD12 )
  OR ( resid 1 and name HG )
     ( resid 1 and name HD13 )
  OR ( resid 1 and name HB2 )
     ( resid 1 and name HD11 )
  OR ( resid 1 and name HB2 )
     ( resid 1 and name HD12 )
  OR ( resid 1 and name HB2 )
     ( resid 1 and name HD13 )
  OR ( resid 1 and name HB1 )
     ( resid 1 and name HD11 )
  OR ( resid 1 and name HB1 )
     ( resid 1 and name HD12 )
  OR ( resid 1 and name HB1 )
     ( resid 1 and name HD13 )
ASSI ( resid 14 and name HG2 )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 379 weight 0.11000E+01 volume 72.54890 ppm1 1.5303404 ppm2 0.9000962
  OR ( resid 14 and name HG1 )
     ( resid 17 and name HG )
ASSI ( resid 18 and name HG11 )
     ( resid 20 and name HG13 )
     6.0 0.1 0.1 peak 380 weight 0.11000E+01 volume 540.53851 ppm1 1.3722428 ppm2 0.8521588
  OR ( resid 18 and name HG11 )
     ( resid 20 and name HG12 )
  OR ( resid 18 and name HG11 )
     ( resid 20 and name HG11 )
  OR ( resid 31 and name HB1 )
     ( resid 20 and name HG13 )
  OR ( resid 31 and name HB1 )
     ( resid 20 and name HG12 )
  OR ( resid 31 and name HB1 )
     ( resid 20 and name HG11 )
ASSI ( resid 1 and name HG )
     ( resid 1 and name HD23 )
     6.0 0.1 0.1 peak 381 weight 0.11000E+01 volume 714.58228 ppm1 1.6165756 ppm2 0.8887426
  OR ( resid 1 and name HG )
     ( resid 1 and name HD21 )
  OR ( resid 1 and name HG )
     ( resid 1 and name HD22 )
  OR ( resid 1 and name HB1 )
     ( resid 1 and name HD23 )
  OR ( resid 1 and name HB1 )
     ( resid 1 and name HD21 )
  OR ( resid 1 and name HB1 )
     ( resid 1 and name HD22 )
  OR ( resid 1 and name HB2 )
     ( resid 1 and name HD23 )
  OR ( resid 1 and name HB2 )
     ( resid 1 and name HD21 )
  OR ( resid 1 and name HB2 )
     ( resid 1 and name HD22 )
ASSI ( resid 18 and name HG11 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 382 weight 0.11000E+01 volume 386.87830 ppm1 1.3586267 ppm2 0.7386231
ASSI ( resid 31 and name HB1 )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 383 weight 0.11000E+01 volume 350.49011 ppm1 1.3725767 ppm2 0.5534029
  OR ( resid 31 and name HB1 )
     ( resid 20 and name HG22 )
  OR ( resid 31 and name HB1 )
     ( resid 20 and name HG23 )
ASSI ( resid 18 and name HB )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 384 weight 0.11000E+01 volume 8.27600 ppm1 1.6695269 ppm2 0.5531814
  OR ( resid 18 and name HB )
     ( resid 20 and name HG22 )
  OR ( resid 18 and name HB )
     ( resid 20 and name HG23 )
ASSI ( resid 14 and name HB2 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 385 weight 0.11000E+01 volume 194.17349 ppm1 1.7344433 ppm2 0.3295092
  OR ( resid 14 and name HB2 )
     ( resid 17 and name HD11 )
  OR ( resid 14 and name HB2 )
     ( resid 17 and name HD13 )
ASSI ( resid 14 and name HB2 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 386 weight 0.11000E+01 volume 14.76030 ppm1 1.7335017 ppm2 0.0723452
  OR ( resid 14 and name HB2 )
     ( resid 17 and name HD23 )
  OR ( resid 14 and name HB2 )
     ( resid 17 and name HD21 )
ASSI ( resid 14 and name HG2 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 387 weight 0.11000E+01 volume 7.94030 ppm1 1.5295841 ppm2 0.0731263
  OR ( resid 14 and name HG2 )
     ( resid 17 and name HD23 )
  OR ( resid 14 and name HG2 )
     ( resid 17 and name HD21 )
  OR ( resid 14 and name HG1 )
     ( resid 17 and name HD22 )
  OR ( resid 14 and name HG1 )
     ( resid 17 and name HD23 )
  OR ( resid 14 and name HG1 )
     ( resid 17 and name HD21 )
ASSI ( resid 14 and name HG2 )
     ( resid 17 and name HD12 )
     6.0 0.1 0.1 peak 388 weight 0.11000E+01 volume 139.89630 ppm1 1.5320107 ppm2 0.3295931
  OR ( resid 14 and name HG2 )
     ( resid 17 and name HD11 )
  OR ( resid 14 and name HG2 )
     ( resid 17 and name HD13 )
  OR ( resid 14 and name HG1 )
     ( resid 17 and name HD12 )
  OR ( resid 14 and name HG1 )
     ( resid 17 and name HD11 )
  OR ( resid 14 and name HG1 )
     ( resid 17 and name HD13 )
  OR ( resid 19 and name HD2 )
     ( resid 17 and name HD12 )
  OR ( resid 19 and name HD2 )
     ( resid 17 and name HD11 )
  OR ( resid 19 and name HD2 )
     ( resid 17 and name HD13 )
  OR ( resid 19 and name HD1 )
     ( resid 17 and name HD12 )
  OR ( resid 19 and name HD1 )
     ( resid 17 and name HD11 )
  OR ( resid 19 and name HD1 )
     ( resid 17 and name HD13 )
ASSI ( resid 17 and name HB1 )
     ( resid 17 and name HB2 )
     6.0 0.1 0.1 peak 389 weight 0.11000E+01 volume 618.89807 ppm1 1.2858365 ppm2 1.1197578
ASSI ( resid 17 and name HB2 )
     ( resid 17 and name HG )
     6.0 0.1 0.1 peak 390 weight 0.11000E+01 volume 172.32750 ppm1 1.1201251 ppm2 0.9077789
ASSI ( resid 17 and name HB1 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 391 weight 0.11000E+01 volume 236.61909 ppm1 1.2977648 ppm2 0.3280400
  OR ( resid 17 and name HB1 )
     ( resid 17 and name HD12 )
  OR ( resid 17 and name HB1 )
     ( resid 17 and name HD13 )
ASSI ( resid 17 and name HB2 )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 392 weight 0.11000E+01 volume 232.80710 ppm1 1.1210899 ppm2 0.3296028
  OR ( resid 17 and name HB2 )
     ( resid 17 and name HD12 )
  OR ( resid 17 and name HB2 )
     ( resid 17 and name HD13 )
ASSI ( resid 18 and name HG12 )
     ( resid 18 and name HG21 )
     6.0 0.1 0.1 peak 393 weight 0.11000E+01 volume 254.08350 ppm1 0.9755393 ppm2 0.7924581
ASSI ( resid 18 and name HG12 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 394 weight 0.11000E+01 volume 292.88541 ppm1 0.9727681 ppm2 0.7402536
ASSI ( resid 18 and name HG11 )
     ( resid 17 and name HD22 )
     6.0 0.1 0.1 peak 395 weight 0.11000E+01 volume 9.77070 ppm1 1.3677222 ppm2 0.0749917
  OR ( resid 18 and name HG11 )
     ( resid 17 and name HD21 )
  OR ( resid 18 and name HG11 )
     ( resid 17 and name HD23 )
ASSI ( resid 17 and name HB1 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 396 weight 0.11000E+01 volume 80.26610 ppm1 1.2961651 ppm2 0.0732286
  OR ( resid 17 and name HB1 )
     ( resid 17 and name HD22 )
  OR ( resid 17 and name HB1 )
     ( resid 17 and name HD23 )
ASSI ( resid 17 and name HB2 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 397 weight 0.11000E+01 volume 166.00571 ppm1 1.1206702 ppm2 0.0722270
  OR ( resid 17 and name HB2 )
     ( resid 17 and name HD22 )
  OR ( resid 17 and name HB2 )
     ( resid 17 and name HD23 )
ASSI ( resid 17 and name HG )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 398 weight 0.11000E+01 volume 193.52260 ppm1 0.9043148 ppm2 0.0725008
  OR ( resid 17 and name HG )
     ( resid 17 and name HD22 )
  OR ( resid 17 and name HG )
     ( resid 17 and name HD23 )
ASSI ( resid 17 and name HG )
     ( resid 17 and name HD11 )
     6.0 0.1 0.1 peak 399 weight 0.11000E+01 volume 242.09070 ppm1 0.8993771 ppm2 0.3289398
  OR ( resid 17 and name HG )
     ( resid 17 and name HD12 )
  OR ( resid 17 and name HG )
     ( resid 17 and name HD13 )
ASSI ( resid 20 and name HG11 )
     ( resid 20 and name HG21 )
     6.0 0.1 0.1 peak 400 weight 0.11000E+01 volume 640.03571 ppm1 0.8512890 ppm2 0.5529509
  OR ( resid 20 and name HG11 )
     ( resid 20 and name HG22 )
  OR ( resid 20 and name HG11 )
     ( resid 20 and name HG23 )
  OR ( resid 20 and name HG12 )
     ( resid 20 and name HG21 )
  OR ( resid 20 and name HG12 )
     ( resid 20 and name HG22 )
  OR ( resid 20 and name HG12 )
     ( resid 20 and name HG23 )
  OR ( resid 20 and name HG13 )
     ( resid 20 and name HG21 )
  OR ( resid 20 and name HG13 )
     ( resid 20 and name HG22 )
  OR ( resid 20 and name HG13 )
     ( resid 20 and name HG23 )
ASSI ( resid 17 and name HD11 )
     ( resid 17 and name HD21 )
     6.0 0.1 0.1 peak 401 weight 0.11000E+01 volume 347.23331 ppm1 0.3276660 ppm2 0.0724337
  OR ( resid 17 and name HD11 )
     ( resid 17 and name HD23 )
  OR ( resid 17 and name HD11 )
     ( resid 17 and name HD22 )
  OR ( resid 17 and name HD13 )
     ( resid 17 and name HD21 )
  OR ( resid 17 and name HD13 )
     ( resid 17 and name HD23 )
  OR ( resid 17 and name HD13 )
     ( resid 17 and name HD22 )
  OR ( resid 17 and name HD12 )
     ( resid 17 and name HD21 )
  OR ( resid 17 and name HD12 )
     ( resid 17 and name HD23 )
  OR ( resid 17 and name HD12 )
     ( resid 17 and name HD22 )
ASSI ( resid 33 and name HB2 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 402 weight 0.11000E+01 volume 5.52330 ppm1 2.1267166 ppm2 1.2804011
  OR ( resid 33 and name HB1 )
     ( resid 36 and name HB1 )
ASSI ( resid 33 and name HD2 )
     ( resid 36 and name HB1 )
     6.0 0.1 0.1 peak 403 weight 0.11000E+01 volume 14.44990 ppm1 3.3477759 ppm2 1.2773895
ASSI ( resid 33 and name HD2 )
     ( resid 18 and name HD11 )
     6.0 0.1 0.1 peak 404 weight 0.11000E+01 volume 4.29760 ppm1 3.3515940 ppm2 0.7399163


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU   1           HT1      LEU   1   5.313   2.629   7.989
    2    H2   LEU   1           HT2      LEU   1   6.871   2.368   7.391
    3    H3   LEU   1           HT3      LEU   1   5.562   1.547   6.717
    4    HA   LEU   1           HA       LEU   1   5.926   4.483   6.624
    5    HB2  LEU   1           HB2      LEU   1   7.527   2.873   5.335
    6    HB3  LEU   1           HB1      LEU   1   6.131   2.567   4.326
    7    HG   LEU   1           HG       LEU   1   7.650   4.231   3.344
    8   HD11  LEU   1          HD11      LEU   1   5.176   5.717   4.098
    9   HD12  LEU   1          HD12      LEU   1   5.069   4.246   3.130
   10   HD13  LEU   1          HD13      LEU   1   6.001   5.622   2.542
   11   HD21  LEU   1          HD21      LEU   1   6.882   6.377   5.179
   12   HD22  LEU   1          HD22      LEU   1   8.434   6.029   4.418
   13   HD23  LEU   1          HD23      LEU   1   7.961   5.172   5.882
   14    H    PHE   2           HN       PHE   2   4.001   5.453   6.347
   15    HA   PHE   2           HA       PHE   2   1.691   3.890   5.754
   16    HB2  PHE   2           HB2      PHE   2   1.754   5.974   7.256
   17    HB3  PHE   2           HB1      PHE   2   1.746   6.899   5.755
   18    HD1  PHE   2           HD2      PHE   2  -0.215   6.818   4.249
   19    HD2  PHE   2           HD1      PHE   2  -0.201   4.850   8.024
   20    HE1  PHE   2           HE2      PHE   2  -2.661   6.603   4.136
   21    HE2  PHE   2           HE1      PHE   2  -2.650   4.629   7.918
   22    HZ   PHE   2           HZ       PHE   2  -3.882   5.509   5.977
   23    H    CYS   3           HN       CYS   3   0.159   4.522   4.043
   24    HA   CYS   3           HA       CYS   3   1.389   5.675   1.666
   25    HB2  CYS   3           HB2      CYS   3   0.100   2.940   1.745
   26    HB3  CYS   3           HB1      CYS   3   0.556   3.791   0.272
   27    H    LYS   4           HN       LYS   4  -0.055   6.750   0.395
   28    HA   LYS   4           HA       LYS   4  -2.273   7.891   1.421
   29    HB2  LYS   4           HB2      LYS   4  -2.000   7.168  -1.496
   30    HB3  LYS   4           HB1      LYS   4  -2.959   8.477  -0.820
   31    HG2  LYS   4           HG2      LYS   4  -0.848   9.503   0.014
   32    HG3  LYS   4           HG1      LYS   4   0.041   8.252  -0.858
   33    HD2  LYS   4           HD2      LYS   4  -1.127   9.006  -2.945
   34    HD3  LYS   4           HD1      LYS   4  -1.776  10.358  -2.019
   35    HE2  LYS   4           HE2      LYS   4   0.170  11.108  -3.194
   36    HE3  LYS   4           HE1      LYS   4   0.548  11.032  -1.475
   37    HZ1  LYS   4           HZ1      LYS   4   1.774   9.667  -3.641
   38    HZ2  LYS   4           HZ2      LYS   4   1.219   8.562  -2.491
   39    HZ3  LYS   4           HZ3      LYS   4   2.283   9.793  -2.035
   40    H    GLY   5           HN       GLY   5  -3.344   6.227   2.633
   41    HA2  GLY   5           HA2      GLY   5  -5.748   5.487   2.248
   42    HA3  GLY   5           HA1      GLY   5  -5.042   4.475   1.006
   43    H    GLY   6           HN       GLY   6  -2.684   3.775   2.510
   44    HA2  GLY   6           HA2      GLY   6  -3.656   2.442   4.903
   45    HA3  GLY   6           HA1      GLY   6  -3.235   1.384   3.566
   46    H    SER   7           HN       SER   7  -1.274   0.533   3.786
   47    HA   SER   7           HA       SER   7   0.917   2.256   4.652
   48    HB2  SER   7           HB2      SER   7   0.462  -0.476   5.865
   49    HB3  SER   7           HB1      SER   7   1.709   0.690   6.299
   50    HG   SER   7           HG       SER   7  -0.494   2.017   6.561
   51    H    CYS   8           HN       CYS   8   3.035   1.281   4.246
   52    HA   CYS   8           HA       CYS   8   2.998  -0.170   1.719
   53    HB2  CYS   8           HB2      CYS   8   4.611   1.262   1.177
   54    HB3  CYS   8           HB1      CYS   8   4.498   1.991   2.769
   55    H    HIS   9           HN       HIS   9   4.109  -2.023   1.347
   56    HA   HIS   9           HA       HIS   9   5.393  -3.383   3.594
   57    HB2  HIS   9           HB2      HIS   9   3.361  -4.757   1.836
   58    HB3  HIS   9           HB1      HIS   9   4.096  -5.356   3.314
   59    HD1  HIS   9           HD1      HIS   9   3.036  -4.602   5.548
   60    HD2  HIS   9           HD2      HIS   9   1.298  -2.931   2.176
   61    HE1  HIS   9           HE1      HIS   9   0.915  -3.522   6.350
   62    HE2  HIS   9           HE2      HIS   9  -0.030  -2.370   4.325
   63    H    PHE  10           HN       PHE  10   7.209  -4.322   2.928
   64    HA   PHE  10           HA       PHE  10   8.045  -4.145   0.257
   65    HB2  PHE  10           HB2      PHE  10   9.554  -4.222   2.292
   66    HB3  PHE  10           HB1      PHE  10   9.231  -5.951   2.367
   67    HD1  PHE  10           HD1      PHE  10   9.272  -4.642  -0.940
   68    HD2  PHE  10           HD2      PHE  10  11.764  -6.105   2.176
   69    HE1  PHE  10           HE1      PHE  10  11.027  -5.032  -2.561
   70    HE2  PHE  10           HE2      PHE  10  13.557  -6.497   0.544
   71    HZ   PHE  10           HZ       PHE  10  13.195  -5.955  -1.833
   72    H    GLY  11           HN       GLY  11   7.679  -5.498  -1.417
   73    HA2  GLY  11           HA2      GLY  11   7.726  -7.810  -2.215
   74    HA3  GLY  11           HA1      GLY  11   6.789  -8.246  -0.798
   75    H    GLY  12           HN       GLY  12   4.778  -6.469  -0.747
   76    HA2  GLY  12           HA2      GLY  12   3.572  -5.886  -3.211
   77    HA3  GLY  12           HA1      GLY  12   2.995  -7.446  -2.644
   78    H    CYS  13           HN       CYS  13   1.027  -7.181  -1.829
   79    HA   CYS  13           HA       CYS  13   0.654  -5.240   0.303
   80    HB2  CYS  13           HB2      CYS  13  -0.997  -5.319  -2.214
   81    HB3  CYS  13           HB1      CYS  13  -1.511  -4.487  -0.740
   82    HA   PRO  14           HA       PRO  14  -1.526  -8.615   2.156
   83    HB2  PRO  14           HB2      PRO  14  -3.221  -6.452   3.279
   84    HB3  PRO  14           HB1      PRO  14  -2.373  -7.752   4.116
   85    HG2  PRO  14           HG2      PRO  14  -1.487  -5.227   4.183
   86    HG3  PRO  14           HG1      PRO  14  -0.375  -6.604   4.152
   87    HD2  PRO  14           HD2      PRO  14  -1.092  -4.695   1.989
   88    HD3  PRO  14           HD1      PRO  14   0.434  -5.553   2.284
   89    H    SER  15           HN       SER  15  -3.165  -9.758   1.322
   90    HA   SER  15           HA       SER  15  -4.527  -9.278  -0.894
   91    HB2  SER  15           HB2      SER  15  -6.391 -10.763   0.117
   92    HB3  SER  15           HB1      SER  15  -4.760 -11.423   0.005
   93    HG   SER  15           HG       SER  15  -4.459 -11.050   2.169
   94    H    HIS  16           HN       HIS  16  -5.454  -8.070   2.256
   95    HA   HIS  16           HA       HIS  16  -8.009  -7.119   1.598
   96    HB2  HIS  16           HB2      HIS  16  -6.498  -5.492   3.521
   97    HB3  HIS  16           HB1      HIS  16  -8.075  -6.249   3.684
   98    HD1  HIS  16           HD1      HIS  16  -4.783  -6.457   4.978
   99    HD2  HIS  16           HD2      HIS  16  -7.705  -9.221   3.993
  100    HE1  HIS  16           HE1      HIS  16  -4.107  -8.577   6.112
  101    HE2  HIS  16           HE2      HIS  16  -5.977 -10.195   5.651
  102    H    LEU  17           HN       LEU  17  -4.881  -5.487   1.658
  103    HA   LEU  17           HA       LEU  17  -5.936  -3.012   0.793
  104    HB2  LEU  17           HB2      LEU  17  -3.086  -3.950   0.949
  105    HB3  LEU  17           HB1      LEU  17  -3.589  -2.297   0.656
  106    HG   LEU  17           HG       LEU  17  -3.916  -3.913   3.168
  107   HD11  LEU  17          HD11      LEU  17  -2.394  -1.507   2.337
  108   HD12  LEU  17          HD12      LEU  17  -1.897  -2.872   3.338
  109   HD13  LEU  17          HD13      LEU  17  -2.956  -1.626   4.001
  110   HD21  LEU  17          HD21      LEU  17  -5.298  -1.349   2.412
  111   HD22  LEU  17          HD22      LEU  17  -5.135  -1.926   4.069
  112   HD23  LEU  17          HD23      LEU  17  -6.044  -2.876   2.893
  113    H    ILE  18           HN       ILE  18  -4.654  -1.853  -0.923
  114    HA   ILE  18           HA       ILE  18  -4.622  -3.339  -3.433
  115    HB   ILE  18           HB       ILE  18  -5.568  -1.040  -4.337
  116   HG12  ILE  18          HG12      ILE  18  -7.372  -0.308  -2.609
  117   HG13  ILE  18          HG11      ILE  18  -6.306  -1.035  -1.432
  118   HG21  ILE  18          HG21      ILE  18  -7.115  -3.262  -3.067
  119   HG22  ILE  18          HG22      ILE  18  -6.791  -2.971  -4.776
  120   HG23  ILE  18          HG23      ILE  18  -7.916  -1.932  -3.900
  121   HD11  ILE  18          HD11      ILE  18  -4.655   0.536  -1.764
  122   HD12  ILE  18          HD12      ILE  18  -6.130   1.484  -1.908
  123   HD13  ILE  18          HD13      ILE  18  -5.254   0.985  -3.355
  124    H    LYS  19           HN       LYS  19  -2.938  -2.809  -4.745
  125    HA   LYS  19           HA       LYS  19  -0.768  -1.365  -3.655
  126    HB2  LYS  19           HB2      LYS  19  -0.481  -3.226  -5.222
  127    HB3  LYS  19           HB1      LYS  19  -1.260  -2.297  -6.490
  128    HG2  LYS  19           HG2      LYS  19   1.105  -2.266  -6.834
  129    HG3  LYS  19           HG1      LYS  19   0.575  -0.651  -6.360
  130    HD2  LYS  19           HD2      LYS  19   1.463  -0.884  -4.195
  131    HD3  LYS  19           HD1      LYS  19   1.650  -2.629  -4.369
  132    HE2  LYS  19           HE2      LYS  19   3.142  -0.625  -6.049
  133    HE3  LYS  19           HE1      LYS  19   3.773  -1.275  -4.539
  134    HZ1  LYS  19           HZ1      LYS  19   3.722  -3.475  -5.464
  135    HZ2  LYS  19           HZ2      LYS  19   4.575  -2.465  -6.515
  136    HZ3  LYS  19           HZ3      LYS  19   2.992  -2.920  -6.883
  137    H    VAL  20           HN       VAL  20  -1.040   0.759  -3.285
  138    HA   VAL  20           HA       VAL  20  -2.439   2.475  -5.136
  139    HB   VAL  20           HB       VAL  20  -1.171   4.221  -3.456
  140   HG11  VAL  20          HG11      VAL  20  -3.808   2.806  -3.199
  141   HG12  VAL  20          HG12      VAL  20  -3.476   4.419  -3.830
  142   HG13  VAL  20          HG13      VAL  20  -3.324   4.102  -2.100
  143   HG21  VAL  20          HG21      VAL  20  -1.373   3.280  -1.177
  144   HG22  VAL  20          HG22      VAL  20  -0.115   2.504  -2.138
  145   HG23  VAL  20          HG23      VAL  20  -1.659   1.693  -1.889
  146    H    GLY  21           HN       GLY  21   0.848   1.683  -4.319
  147    HA2  GLY  21           HA2      GLY  21   1.946   2.423  -6.758
  148    HA3  GLY  21           HA1      GLY  21   2.130   3.803  -5.687
  149    H    SER  22           HN       SER  22   4.445   3.366  -6.027
  150    HA   SER  22           HA       SER  22   5.498   1.020  -4.682
  151    HB2  SER  22           HB2      SER  22   7.687   2.545  -5.307
  152    HB3  SER  22           HB1      SER  22   6.976   1.334  -6.370
  153    HG   SER  22           HG       SER  22   5.767   2.979  -7.358
  154    H    CYS  23           HN       CYS  23   6.832   1.104  -2.870
  155    HA   CYS  23           HA       CYS  23   6.308   3.366  -1.084
  156    HB2  CYS  23           HB2      CYS  23   5.752   1.182  -0.207
  157    HB3  CYS  23           HB1      CYS  23   7.324   0.566  -0.636
  158    H    PHE  24           HN       PHE  24   8.499   3.132   0.606
  159    HA   PHE  24           HA       PHE  24  10.443   4.555  -0.807
  160    HB2  PHE  24           HB2      PHE  24  10.054   4.593   1.717
  161    HB3  PHE  24           HB1      PHE  24  10.963   3.089   1.766
  162    HD1  PHE  24           HD1      PHE  24  11.499   6.170  -0.244
  163    HD2  PHE  24           HD2      PHE  24  13.002   3.590   2.789
  164    HE1  PHE  24           HE1      PHE  24  13.592   7.452  -0.196
  165    HE2  PHE  24           HE2      PHE  24  15.099   4.870   2.836
  166    HZ   PHE  24           HZ       PHE  24  15.398   6.803   1.345
  167    H    GLY  25           HN       GLY  25  11.466   3.724  -2.415
  168    HA2  GLY  25           HA2      GLY  25  12.895   2.412  -3.580
  169    HA3  GLY  25           HA1      GLY  25  13.316   1.621  -2.079
  170    H    PHE  26           HN       PHE  26  13.282  -0.409  -2.574
  171    HA   PHE  26           HA       PHE  26  11.771  -1.779  -4.428
  172    HB2  PHE  26           HB2      PHE  26  12.439  -3.795  -2.972
  173    HB3  PHE  26           HB1      PHE  26  13.723  -2.803  -3.645
  174    HD1  PHE  26           HD1      PHE  26  12.056  -1.120  -0.989
  175    HD2  PHE  26           HD2      PHE  26  15.022  -4.059  -1.793
  176    HE1  PHE  26           HE1      PHE  26  12.975  -0.760   1.237
  177    HE2  PHE  26           HE2      PHE  26  15.959  -3.713   0.457
  178    HZ   PHE  26           HZ       PHE  26  14.938  -2.065   1.978
  179    H    ARG  27           HN       ARG  27  10.628  -0.570  -1.460
  180    HA   ARG  27           HA       ARG  27   8.760  -2.664  -0.935
  181    HB2  ARG  27           HB2      ARG  27   9.127   0.089   0.177
  182    HB3  ARG  27           HB1      ARG  27   7.745  -0.912   0.624
  183    HG2  ARG  27           HG2      ARG  27   9.262  -2.650   1.393
  184    HG3  ARG  27           HG1      ARG  27  10.629  -1.649   0.951
  185    HD2  ARG  27           HD2      ARG  27   8.525  -0.742   2.889
  186    HD3  ARG  27           HD1      ARG  27   9.973  -1.616   3.394
  187    HE   ARG  27           HE       ARG  27  10.702   0.561   1.785
  188   HH11  ARG  27          HH11      ARG  27   9.234   0.010   4.903
  189   HH12  ARG  27          HH12      ARG  27  10.063   1.324   5.672
  190   HH21  ARG  27          HH21      ARG  27  11.867   2.253   2.829
  191   HH22  ARG  27          HH22      ARG  27  11.556   2.593   4.500
  192    H    SER  28           HN       SER  28   6.462  -2.409  -0.853
  193    HA   SER  28           HA       SER  28   5.468  -0.878  -3.156
  194    HB2  SER  28           HB2      SER  28   4.680  -3.537  -1.973
  195    HB3  SER  28           HB1      SER  28   3.578  -2.644  -3.026
  196    HG   SER  28           HG       SER  28   6.117  -2.827  -4.035
  197    H    CYS  29           HN       CYS  29   3.777   0.505  -2.850
  198    HA   CYS  29           HA       CYS  29   3.015   1.012  -0.085
  199    HB2  CYS  29           HB2      CYS  29   3.448   2.653  -2.392
  200    HB3  CYS  29           HB1      CYS  29   1.797   2.891  -1.830
  201    H    CYS  30           HN       CYS  30   1.114   0.414   0.725
  202    HA   CYS  30           HA       CYS  30  -0.964  -0.444  -1.159
  203    HB2  CYS  30           HB2      CYS  30  -0.496  -1.570   1.590
  204    HB3  CYS  30           HB1      CYS  30  -1.450  -2.253   0.275
  205    H    ALA  31           HN       ALA  31  -2.967   0.081  -0.809
  206    HA   ALA  31           HA       ALA  31  -3.676   1.717   1.516
  207    HB1  ALA  31           HB1      ALA  31  -3.978   2.328  -1.374
  208    HB2  ALA  31           HB2      ALA  31  -3.562   3.396  -0.040
  209    HB3  ALA  31           HB3      ALA  31  -5.228   2.866  -0.264
  210    H    TRP  32           HN       TRP  32  -6.213   1.870   1.517
  211    HA   TRP  32           HA       TRP  32  -7.091  -0.857   1.467
  212    HB2  TRP  32           HB2      TRP  32  -7.911   1.665   2.721
  213    HB3  TRP  32           HB1      TRP  32  -9.203   0.501   2.423
  214    HD1  TRP  32           HD1      TRP  32  -6.180   1.132   4.657
  215    HE1  TRP  32           HE1      TRP  32  -6.120  -0.710   6.468
  216    HE3  TRP  32           HE3      TRP  32  -9.741  -1.875   2.763
  217    HZ2  TRP  32           HZ2      TRP  32  -7.453  -3.168   6.991
  218    HZ3  TRP  32           HZ3      TRP  32 -10.329  -3.977   3.937
  219    HH2  TRP  32           HH2      TRP  32  -9.198  -4.604   6.016
  220    HA   PRO  33           HA       PRO  33  -9.126  -1.015  -2.429
  221    HB2  PRO  33           HB2      PRO  33 -11.215  -2.644  -1.702
  222    HB3  PRO  33           HB1      PRO  33  -9.577  -3.197  -2.069
  223    HG2  PRO  33           HG2      PRO  33 -10.794  -2.551   0.606
  224    HG3  PRO  33           HG1      PRO  33  -9.857  -3.986   0.128
  225    HD2  PRO  33           HD2      PRO  33  -8.644  -2.075   1.442
  226    HD3  PRO  33           HD1      PRO  33  -7.849  -2.747   0.011
  227    H    TRP  34           HN       TRP  34 -10.961   0.310   0.259
  228    HA   TRP  34           HA       TRP  34 -13.486   0.593  -0.425
  229    HB2  TRP  34           HB2      TRP  34 -12.987   3.282  -0.066
  230    HB3  TRP  34           HB1      TRP  34 -13.270   2.106   1.212
  231    HD1  TRP  34           HD1      TRP  34 -11.504   2.131   3.007
  232    HE1  TRP  34           HE1      TRP  34  -9.028   2.695   3.135
  233    HE3  TRP  34           HE3      TRP  34 -10.661   3.429  -1.855
  234    HZ2  TRP  34           HZ2      TRP  34  -6.962   3.509   1.426
  235    HZ3  TRP  34           HZ3      TRP  34  -8.409   4.051  -2.548
  236    HH2  TRP  34           HH2      TRP  34  -6.599   4.112  -0.950
  237    H    ASN  35           HN       ASN  35 -10.946   2.028  -2.333
  238    HA   ASN  35           HA       ASN  35 -12.742   2.423  -4.581
  239    HB2  ASN  35           HB2      ASN  35 -11.108   4.813  -3.859
  240    HB3  ASN  35           HB1      ASN  35 -12.639   4.736  -4.718
  241   HD21  ASN  35          HD21      ASN  35 -11.090   5.404  -1.820
  242   HD22  ASN  35          HD22      ASN  35 -12.484   5.568  -0.813
  243    H    ALA  36           HN       ALA  36 -10.571   0.708  -4.126
  244    HA   ALA  36           HA       ALA  36  -8.718   1.691  -6.154
  245    HB1  ALA  36           HB1      ALA  36  -7.271   2.252  -4.536
  246    HB2  ALA  36           HB2      ALA  36  -6.962   0.521  -4.457
  247    HB3  ALA  36           HB3      ALA  36  -8.087   1.271  -3.321
  Start of MODEL    2
    1    H1   LEU   1           HT1      LEU   1   6.684   2.565   7.063
    2    H2   LEU   1           HT2      LEU   1   6.710   1.825   5.546
    3    H3   LEU   1           HT3      LEU   1   5.286   1.842   6.453
    4    HA   LEU   1           HA       LEU   1   5.988   4.480   6.242
    5    HB2  LEU   1           HB2      LEU   1   7.550   3.742   4.447
    6    HB3  LEU   1           HB1      LEU   1   6.189   3.044   3.586
    7    HG   LEU   1           HG       LEU   1   5.182   5.355   3.505
    8   HD11  LEU   1          HD11      LEU   1   7.693   5.955   4.919
    9   HD12  LEU   1          HD12      LEU   1   6.133   6.776   4.962
   10   HD13  LEU   1          HD13      LEU   1   7.245   7.069   3.626
   11   HD21  LEU   1          HD21      LEU   1   6.707   6.126   1.687
   12   HD22  LEU   1          HD22      LEU   1   6.157   4.457   1.535
   13   HD23  LEU   1          HD23      LEU   1   7.789   4.798   2.112
   14    H    PHE   2           HN       PHE   2   4.060   5.557   5.968
   15    HA   PHE   2           HA       PHE   2   1.723   3.949   5.573
   16    HB2  PHE   2           HB2      PHE   2   1.829   6.009   7.095
   17    HB3  PHE   2           HB1      PHE   2   1.767   6.965   5.615
   18    HD1  PHE   2           HD2      PHE   2  -0.237   6.884   4.160
   19    HD2  PHE   2           HD1      PHE   2  -0.117   4.925   7.940
   20    HE1  PHE   2           HE2      PHE   2  -2.687   6.693   4.132
   21    HE2  PHE   2           HE1      PHE   2  -2.569   4.726   7.915
   22    HZ   PHE   2           HZ       PHE   2  -3.857   5.613   6.013
   23    H    CYS   3           HN       CYS   3   0.078   4.621   3.943
   24    HA   CYS   3           HA       CYS   3   1.173   5.818   1.522
   25    HB2  CYS   3           HB2      CYS   3  -0.146   3.093   1.552
   26    HB3  CYS   3           HB1      CYS   3   0.399   3.961   0.121
   27    H    LYS   4           HN       LYS   4  -0.386   6.967   0.425
   28    HA   LYS   4           HA       LYS   4  -2.602   7.919   1.657
   29    HB2  LYS   4           HB2      LYS   4  -2.325   7.448  -1.315
   30    HB3  LYS   4           HB1      LYS   4  -3.499   8.511  -0.559
   31    HG2  LYS   4           HG2      LYS   4  -1.685   9.892   0.323
   32    HG3  LYS   4           HG1      LYS   4  -0.511   8.826  -0.444
   33    HD2  LYS   4           HD2      LYS   4  -0.768  10.717  -1.861
   34    HD3  LYS   4           HD1      LYS   4  -1.587   9.369  -2.644
   35    HE2  LYS   4           HE2      LYS   4  -2.959  11.486  -0.989
   36    HE3  LYS   4           HE1      LYS   4  -2.839  11.514  -2.745
   37    HZ1  LYS   4           HZ1      LYS   4  -3.879   9.093  -2.345
   38    HZ2  LYS   4           HZ2      LYS   4  -4.806  10.478  -2.607
   39    HZ3  LYS   4           HZ3      LYS   4  -4.550   9.924  -1.034
   40    H    GLY   5           HN       GLY   5  -3.495   6.094   2.793
   41    HA2  GLY   5           HA2      GLY   5  -5.904   5.244   2.379
   42    HA3  GLY   5           HA1      GLY   5  -5.102   4.289   1.148
   43    H    GLY   6           HN       GLY   6  -2.731   3.739   2.596
   44    HA2  GLY   6           HA2      GLY   6  -3.506   2.404   5.049
   45    HA3  GLY   6           HA1      GLY   6  -3.137   1.331   3.706
   46    H    SER   7           HN       SER   7  -1.111   0.606   3.698
   47    HA   SER   7           HA       SER   7   1.062   2.417   4.315
   48    HB2  SER   7           HB2      SER   7   0.679  -0.147   5.867
   49    HB3  SER   7           HB1      SER   7   2.059   0.943   5.993
   50    HG   SER   7           HG       SER   7  -0.026   2.465   6.340
   51    H    CYS   8           HN       CYS   8   3.175   1.392   3.924
   52    HA   CYS   8           HA       CYS   8   3.017  -0.248   1.538
   53    HB2  CYS   8           HB2      CYS   8   4.725   0.996   0.773
   54    HB3  CYS   8           HB1      CYS   8   4.395   2.058   2.122
   55    H    HIS   9           HN       HIS   9   4.016  -2.151   1.292
   56    HA   HIS   9           HA       HIS   9   5.462  -3.311   3.567
   57    HB2  HIS   9           HB2      HIS   9   3.427  -4.852   1.953
   58    HB3  HIS   9           HB1      HIS   9   4.208  -5.331   3.451
   59    HD1  HIS   9           HD1      HIS   9   3.135  -4.538   5.647
   60    HD2  HIS   9           HD2      HIS   9   1.328  -3.016   2.232
   61    HE1  HIS   9           HE1      HIS   9   0.989  -3.482   6.430
   62    HE2  HIS   9           HE2      HIS   9   0.004  -2.421   4.375
   63    H    PHE  10           HN       PHE  10   7.221  -4.427   2.927
   64    HA   PHE  10           HA       PHE  10   8.039  -4.244   0.242
   65    HB2  PHE  10           HB2      PHE  10   9.497  -4.404   2.409
   66    HB3  PHE  10           HB1      PHE  10   9.331  -6.138   2.178
   67    HD1  PHE  10           HD1      PHE  10   9.215  -4.686  -0.980
   68    HD2  PHE  10           HD2      PHE  10  11.947  -5.627   2.138
   69    HE1  PHE  10           HE1      PHE  10  11.073  -4.674  -2.588
   70    HE2  PHE  10           HE2      PHE  10  13.787  -5.622   0.567
   71    HZ   PHE  10           HZ       PHE  10  13.334  -5.088  -1.861
   72    H    GLY  11           HN       GLY  11   7.606  -5.557  -1.416
   73    HA2  GLY  11           HA2      GLY  11   7.698  -7.879  -2.222
   74    HA3  GLY  11           HA1      GLY  11   6.764  -8.325  -0.808
   75    H    GLY  12           HN       GLY  12   4.783  -6.469  -0.771
   76    HA2  GLY  12           HA2      GLY  12   3.555  -5.920  -3.221
   77    HA3  GLY  12           HA1      GLY  12   2.965  -7.467  -2.634
   78    H    CYS  13           HN       CYS  13   1.018  -7.182  -1.788
   79    HA   CYS  13           HA       CYS  13   0.685  -5.205   0.319
   80    HB2  CYS  13           HB2      CYS  13  -0.991  -5.313  -2.182
   81    HB3  CYS  13           HB1      CYS  13  -1.505  -4.474  -0.712
   82    HA   PRO  14           HA       PRO  14  -1.539  -8.502   2.226
   83    HB2  PRO  14           HB2      PRO  14  -3.302  -6.439   3.386
   84    HB3  PRO  14           HB1      PRO  14  -2.285  -7.625   4.198
   85    HG2  PRO  14           HG2      PRO  14  -1.689  -4.987   4.115
   86    HG3  PRO  14           HG1      PRO  14  -0.459  -6.257   4.206
   87    HD2  PRO  14           HD2      PRO  14  -1.271  -4.567   1.906
   88    HD3  PRO  14           HD1      PRO  14   0.300  -5.302   2.273
   89    H    SER  15           HN       SER  15  -3.154  -9.683   1.382
   90    HA   SER  15           HA       SER  15  -4.529  -9.224  -0.829
   91    HB2  SER  15           HB2      SER  15  -5.732 -10.645   1.551
   92    HB3  SER  15           HB1      SER  15  -6.159 -10.893  -0.142
   93    HG   SER  15           HG       SER  15  -3.779 -11.391  -0.349
   94    H    HIS  16           HN       HIS  16  -5.435  -7.925   2.312
   95    HA   HIS  16           HA       HIS  16  -8.025  -7.062   1.587
   96    HB2  HIS  16           HB2      HIS  16  -6.563  -5.345   3.482
   97    HB3  HIS  16           HB1      HIS  16  -8.169  -6.041   3.603
   98    HD1  HIS  16           HD1      HIS  16  -5.133  -6.131   5.253
   99    HD2  HIS  16           HD2      HIS  16  -7.768  -9.079   4.013
  100    HE1  HIS  16           HE1      HIS  16  -4.566  -8.141   6.605
  101    HE2  HIS  16           HE2      HIS  16  -6.326  -9.843   6.023
  102    H    LEU  17           HN       LEU  17  -4.914  -5.398   1.666
  103    HA   LEU  17           HA       LEU  17  -5.923  -2.935   0.755
  104    HB2  LEU  17           HB2      LEU  17  -3.085  -3.911   0.845
  105    HB3  LEU  17           HB1      LEU  17  -3.584  -2.250   0.602
  106    HG   LEU  17           HG       LEU  17  -3.864  -3.918   3.086
  107   HD11  LEU  17          HD11      LEU  17  -2.783  -1.845   4.050
  108   HD12  LEU  17          HD12      LEU  17  -2.459  -1.366   2.386
  109   HD13  LEU  17          HD13      LEU  17  -1.775  -2.863   3.024
  110   HD21  LEU  17          HD21      LEU  17  -5.030  -1.934   4.060
  111   HD22  LEU  17          HD22      LEU  17  -5.982  -2.847   2.890
  112   HD23  LEU  17          HD23      LEU  17  -5.231  -1.321   2.421
  113    H    ILE  18           HN       ILE  18  -4.572  -1.821  -0.977
  114    HA   ILE  18           HA       ILE  18  -4.595  -3.290  -3.496
  115    HB   ILE  18           HB       ILE  18  -5.551  -0.967  -4.372
  116   HG12  ILE  18          HG12      ILE  18  -7.393  -0.315  -2.655
  117   HG13  ILE  18          HG11      ILE  18  -6.322  -1.041  -1.481
  118   HG21  ILE  18          HG21      ILE  18  -7.906  -1.942  -3.882
  119   HG22  ILE  18          HG22      ILE  18  -6.998  -3.314  -3.256
  120   HG23  ILE  18          HG23      ILE  18  -6.793  -2.812  -4.934
  121   HD11  ILE  18          HD11      ILE  18  -4.674   0.554  -1.824
  122   HD12  ILE  18          HD12      ILE  18  -6.174   1.473  -1.860
  123   HD13  ILE  18          HD13      ILE  18  -5.350   1.065  -3.365
  124    H    LYS  19           HN       LYS  19  -2.925  -2.731  -4.821
  125    HA   LYS  19           HA       LYS  19  -0.737  -1.319  -3.739
  126    HB2  LYS  19           HB2      LYS  19  -0.498  -3.136  -5.376
  127    HB3  LYS  19           HB1      LYS  19  -1.277  -2.147  -6.599
  128    HG2  LYS  19           HG2      LYS  19   1.070  -2.111  -6.990
  129    HG3  LYS  19           HG1      LYS  19   0.595  -0.522  -6.392
  130    HD2  LYS  19           HD2      LYS  19   1.429  -1.070  -4.188
  131    HD3  LYS  19           HD1      LYS  19   1.808  -2.712  -4.709
  132    HE2  LYS  19           HE2      LYS  19   3.027  -0.202  -5.852
  133    HE3  LYS  19           HE1      LYS  19   3.791  -1.234  -4.648
  134    HZ1  LYS  19           HZ1      LYS  19   4.494  -2.584  -6.238
  135    HZ2  LYS  19           HZ2      LYS  19   3.936  -1.481  -7.386
  136    HZ3  LYS  19           HZ3      LYS  19   2.945  -2.752  -6.888
  137    H    VAL  20           HN       VAL  20  -1.000   0.809  -3.302
  138    HA   VAL  20           HA       VAL  20  -2.392   2.560  -5.129
  139    HB   VAL  20           HB       VAL  20  -1.145   4.287  -3.423
  140   HG11  VAL  20          HG11      VAL  20  -3.445   4.482  -3.792
  141   HG12  VAL  20          HG12      VAL  20  -3.308   4.123  -2.072
  142   HG13  VAL  20          HG13      VAL  20  -3.773   2.850  -3.208
  143   HG21  VAL  20          HG21      VAL  20  -1.572   1.713  -1.914
  144   HG22  VAL  20          HG22      VAL  20  -1.403   3.290  -1.145
  145   HG23  VAL  20          HG23      VAL  20  -0.070   2.621  -2.089
  146    H    GLY  21           HN       GLY  21   0.892   1.752  -4.297
  147    HA2  GLY  21           HA2      GLY  21   2.007   2.479  -6.725
  148    HA3  GLY  21           HA1      GLY  21   2.173   3.880  -5.671
  149    H    SER  22           HN       SER  22   4.515   3.298  -6.140
  150    HA   SER  22           HA       SER  22   5.524   1.028  -4.660
  151    HB2  SER  22           HB2      SER  22   7.777   2.144  -5.404
  152    HB3  SER  22           HB1      SER  22   6.766   1.315  -6.584
  153    HG   SER  22           HG       SER  22   6.856   3.146  -7.611
  154    H    CYS  23           HN       CYS  23   7.043   1.170  -2.971
  155    HA   CYS  23           HA       CYS  23   6.590   3.450  -1.200
  156    HB2  CYS  23           HB2      CYS  23   6.138   1.117  -0.420
  157    HB3  CYS  23           HB1      CYS  23   7.840   0.774  -0.625
  158    H    PHE  24           HN       PHE  24   8.867   3.108   0.402
  159    HA   PHE  24           HA       PHE  24  10.807   4.485  -1.173
  160    HB2  PHE  24           HB2      PHE  24  10.270   5.250   1.085
  161    HB3  PHE  24           HB1      PHE  24  10.803   3.708   1.740
  162    HD1  PHE  24           HD1      PHE  24  12.135   6.336  -0.546
  163    HD2  PHE  24           HD2      PHE  24  12.866   3.710   2.715
  164    HE1  PHE  24           HE1      PHE  24  14.427   7.216  -0.360
  165    HE2  PHE  24           HE2      PHE  24  15.157   4.585   2.914
  166    HZ   PHE  24           HZ       PHE  24  15.937   6.348   1.387
  167    H    GLY  25           HN       GLY  25  12.647   3.803  -1.882
  168    HA2  GLY  25           HA2      GLY  25  14.443   2.516  -2.281
  169    HA3  GLY  25           HA1      GLY  25  14.101   1.646  -0.815
  170    H    PHE  26           HN       PHE  26  11.627   0.480  -1.542
  171    HA   PHE  26           HA       PHE  26  11.736  -0.867  -4.019
  172    HB2  PHE  26           HB2      PHE  26  12.442  -3.110  -2.759
  173    HB3  PHE  26           HB1      PHE  26  13.616  -2.032  -3.491
  174    HD1  PHE  26           HD1      PHE  26  11.954  -0.952  -0.455
  175    HD2  PHE  26           HD2      PHE  26  15.367  -2.955  -2.009
  176    HE1  PHE  26           HE1      PHE  26  13.074  -0.757   1.726
  177    HE2  PHE  26           HE2      PHE  26  16.481  -2.786   0.148
  178    HZ   PHE  26           HZ       PHE  26  15.407  -1.487   1.979
  179    H    ARG  27           HN       ARG  27  10.506  -0.502  -0.854
  180    HA   ARG  27           HA       ARG  27   8.766  -2.706  -0.745
  181    HB2  ARG  27           HB2      ARG  27   8.762  -0.033   0.636
  182    HB3  ARG  27           HB1      ARG  27   7.539  -1.258   0.955
  183    HG2  ARG  27           HG2      ARG  27   9.150  -2.752   1.792
  184    HG3  ARG  27           HG1      ARG  27  10.469  -1.758   1.194
  185    HD2  ARG  27           HD2      ARG  27   8.504  -0.822   3.262
  186    HD3  ARG  27           HD1      ARG  27  10.021  -1.621   3.672
  187    HE   ARG  27           HE       ARG  27  10.624   0.494   1.968
  188   HH11  ARG  27          HH11      ARG  27   9.273   0.029   5.158
  189   HH12  ARG  27          HH12      ARG  27   9.915   1.509   5.794
  190   HH21  ARG  27          HH21      ARG  27  11.494   2.445   2.809
  191   HH22  ARG  27          HH22      ARG  27  11.170   2.894   4.450
  192    H    SER  28           HN       SER  28   6.404  -2.589  -0.805
  193    HA   SER  28           HA       SER  28   5.519  -0.962  -3.083
  194    HB2  SER  28           HB2      SER  28   4.469  -3.536  -1.884
  195    HB3  SER  28           HB1      SER  28   3.643  -2.657  -3.177
  196    HG   SER  28           HG       SER  28   4.880  -4.013  -4.290
  197    H    CYS  29           HN       CYS  29   3.817   0.451  -2.844
  198    HA   CYS  29           HA       CYS  29   3.008   1.030  -0.107
  199    HB2  CYS  29           HB2      CYS  29   3.564   2.617  -2.382
  200    HB3  CYS  29           HB1      CYS  29   1.856   2.834  -2.022
  201    H    CYS  30           HN       CYS  30   1.092   0.480   0.698
  202    HA   CYS  30           HA       CYS  30  -0.983  -0.390  -1.190
  203    HB2  CYS  30           HB2      CYS  30  -0.548  -1.508   1.565
  204    HB3  CYS  30           HB1      CYS  30  -1.478  -2.196   0.235
  205    H    ALA  31           HN       ALA  31  -2.988   0.137  -0.858
  206    HA   ALA  31           HA       ALA  31  -3.739   1.764   1.464
  207    HB1  ALA  31           HB1      ALA  31  -4.057   2.351  -1.433
  208    HB2  ALA  31           HB2      ALA  31  -3.684   3.441  -0.106
  209    HB3  ALA  31           HB3      ALA  31  -5.333   2.855  -0.333
  210    H    TRP  32           HN       TRP  32  -6.291   1.829   1.474
  211    HA   TRP  32           HA       TRP  32  -7.075  -0.930   1.363
  212    HB2  TRP  32           HB2      TRP  32  -7.971   1.518   2.720
  213    HB3  TRP  32           HB1      TRP  32  -9.209   0.296   2.423
  214    HD1  TRP  32           HD1      TRP  32  -6.155   1.024   4.582
  215    HE1  TRP  32           HE1      TRP  32  -5.928  -0.860   6.335
  216    HE3  TRP  32           HE3      TRP  32  -9.614  -2.123   2.725
  217    HZ2  TRP  32           HZ2      TRP  32  -7.098  -3.403   6.827
  218    HZ3  TRP  32           HZ3      TRP  32 -10.037  -4.288   3.854
  219    HH2  TRP  32           HH2      TRP  32  -8.797  -4.908   5.871
  220    HA   PRO  33           HA       PRO  33  -9.163  -0.962  -2.509
  221    HB2  PRO  33           HB2      PRO  33 -11.121  -2.767  -1.891
  222    HB3  PRO  33           HB1      PRO  33  -9.441  -3.197  -2.233
  223    HG2  PRO  33           HG2      PRO  33 -10.750  -2.699   0.435
  224    HG3  PRO  33           HG1      PRO  33  -9.760  -4.092  -0.070
  225    HD2  PRO  33           HD2      PRO  33  -8.616  -2.193   1.314
  226    HD3  PRO  33           HD1      PRO  33  -7.794  -2.774  -0.142
  227    H    TRP  34           HN       TRP  34 -10.982   0.141   0.266
  228    HA   TRP  34           HA       TRP  34 -13.548   0.297  -0.315
  229    HB2  TRP  34           HB2      TRP  34 -13.153   3.013   0.076
  230    HB3  TRP  34           HB1      TRP  34 -13.369   1.803   1.336
  231    HD1  TRP  34           HD1      TRP  34 -11.580   1.854   3.098
  232    HE1  TRP  34           HE1      TRP  34  -9.120   2.488   3.206
  233    HE3  TRP  34           HE3      TRP  34 -10.853   3.297  -1.748
  234    HZ2  TRP  34           HZ2      TRP  34  -7.105   3.409   1.485
  235    HZ3  TRP  34           HZ3      TRP  34  -8.627   3.998  -2.454
  236    HH2  TRP  34           HH2      TRP  34  -6.802   4.082  -0.880
  237    H    ASN  35           HN       ASN  35 -11.142   1.924  -2.230
  238    HA   ASN  35           HA       ASN  35 -12.989   2.240  -4.442
  239    HB2  ASN  35           HB2      ASN  35 -11.502   4.713  -3.721
  240    HB3  ASN  35           HB1      ASN  35 -13.063   4.549  -4.513
  241   HD21  ASN  35          HD21      ASN  35 -11.406   5.153  -1.623
  242   HD22  ASN  35          HD22      ASN  35 -12.772   5.216  -0.558
  243    H    ALA  36           HN       ALA  36 -10.702   0.672  -3.976
  244    HA   ALA  36           HA       ALA  36  -8.971   1.660  -6.090
  245    HB1  ALA  36           HB1      ALA  36  -7.046   0.775  -4.463
  246    HB2  ALA  36           HB2      ALA  36  -8.186   1.374  -3.254
  247    HB3  ALA  36           HB3      ALA  36  -7.569   2.458  -4.500
  Start of MODEL    3
    1    H1   LEU   1           HT1      LEU   1   6.573   2.347   7.031
    2    H2   LEU   1           HT2      LEU   1   4.940   1.966   6.851
    3    H3   LEU   1           HT3      LEU   1   5.406   3.197   7.906
    4    HA   LEU   1           HA       LEU   1   5.785   4.697   6.263
    5    HB2  LEU   1           HB2      LEU   1   7.355   2.917   5.217
    6    HB3  LEU   1           HB1      LEU   1   5.969   2.478   4.241
    7    HG   LEU   1           HG       LEU   1   7.531   3.965   3.055
    8   HD11  LEU   1          HD11      LEU   1   4.911   3.979   2.857
    9   HD12  LEU   1          HD12      LEU   1   5.904   5.142   1.980
   10   HD13  LEU   1          HD13      LEU   1   5.103   5.616   3.476
   11   HD21  LEU   1          HD21      LEU   1   6.705   6.113   4.992
   12   HD22  LEU   1          HD22      LEU   1   7.904   6.209   3.703
   13   HD23  LEU   1          HD23      LEU   1   8.218   5.217   5.126
   14    H    PHE   2           HN       PHE   2   3.891   5.692   5.877
   15    HA   PHE   2           HA       PHE   2   1.582   4.095   5.263
   16    HB2  PHE   2           HB2      PHE   2   1.562   6.093   6.862
   17    HB3  PHE   2           HB1      PHE   2   1.581   7.095   5.410
   18    HD1  PHE   2           HD1      PHE   2  -0.387   4.633   7.328
   19    HD2  PHE   2           HD2      PHE   2  -0.328   7.312   4.024
   20    HE1  PHE   2           HE1      PHE   2  -2.820   4.410   7.115
   21    HE2  PHE   2           HE2      PHE   2  -2.770   7.094   3.805
   22    HZ   PHE   2           HZ       PHE   2  -4.011   5.564   5.358
   23    H    CYS   3           HN       CYS   3   0.091   4.728   3.596
   24    HA   CYS   3           HA       CYS   3   1.181   6.088   1.279
   25    HB2  CYS   3           HB2      CYS   3   0.108   3.261   1.104
   26    HB3  CYS   3           HB1      CYS   3   0.737   4.232  -0.223
   27    H    LYS   4           HN       LYS   4  -0.407   7.108   0.163
   28    HA   LYS   4           HA       LYS   4  -2.682   7.969   1.205
   29    HB2  LYS   4           HB2      LYS   4  -2.357   7.223  -1.696
   30    HB3  LYS   4           HB1      LYS   4  -3.578   8.315  -1.062
   31    HG2  LYS   4           HG2      LYS   4  -1.820   9.829  -0.292
   32    HG3  LYS   4           HG1      LYS   4  -0.602   8.735  -0.949
   33    HD2  LYS   4           HD2      LYS   4  -1.524   9.050  -3.191
   34    HD3  LYS   4           HD1      LYS   4  -2.756  10.129  -2.535
   35    HE2  LYS   4           HE2      LYS   4  -1.024  11.684  -1.816
   36    HE3  LYS   4           HE1      LYS   4   0.222  10.594  -2.421
   37    HZ1  LYS   4           HZ1      LYS   4  -0.762  10.861  -4.652
   38    HZ2  LYS   4           HZ2      LYS   4  -0.161  12.307  -4.021
   39    HZ3  LYS   4           HZ3      LYS   4  -1.823  12.015  -4.030
   40    H    GLY   5           HN       GLY   5  -3.560   6.272   2.514
   41    HA2  GLY   5           HA2      GLY   5  -5.920   5.330   2.206
   42    HA3  GLY   5           HA1      GLY   5  -5.136   4.295   1.035
   43    H    GLY   6           HN       GLY   6  -2.787   3.660   2.363
   44    HA2  GLY   6           HA2      GLY   6  -3.520   2.620   4.980
   45    HA3  GLY   6           HA1      GLY   6  -3.285   1.413   3.724
   46    H    SER   7           HN       SER   7  -1.453   0.447   4.454
   47    HA   SER   7           HA       SER   7   0.890   2.185   4.813
   48    HB2  SER   7           HB2      SER   7   0.556  -0.573   5.988
   49    HB3  SER   7           HB1      SER   7   1.746   0.655   6.422
   50    HG   SER   7           HG       SER   7  -1.042   1.091   6.694
   51    H    CYS   8           HN       CYS   8   2.957   1.247   4.243
   52    HA   CYS   8           HA       CYS   8   2.800  -0.244   1.731
   53    HB2  CYS   8           HB2      CYS   8   4.441   1.110   1.078
   54    HB3  CYS   8           HB1      CYS   8   4.270   1.975   2.594
   55    H    HIS   9           HN       HIS   9   4.049  -2.034   1.314
   56    HA   HIS   9           HA       HIS   9   5.371  -3.342   3.563
   57    HB2  HIS   9           HB2      HIS   9   3.300  -4.751   1.874
   58    HB3  HIS   9           HB1      HIS   9   4.112  -5.358   3.307
   59    HD1  HIS   9           HD1      HIS   9   3.011  -4.877   5.544
   60    HD2  HIS   9           HD2      HIS   9   1.366  -2.712   2.406
   61    HE1  HIS   9           HE1      HIS   9   0.960  -3.763   6.487
   62    HE2  HIS   9           HE2      HIS   9   0.034  -2.389   4.600
   63    H    PHE  10           HN       PHE  10   7.139  -4.406   2.905
   64    HA   PHE  10           HA       PHE  10   7.967  -4.172   0.221
   65    HB2  PHE  10           HB2      PHE  10   9.527  -4.197   2.210
   66    HB3  PHE  10           HB1      PHE  10   9.227  -5.926   2.334
   67    HD1  PHE  10           HD1      PHE  10   9.237  -4.551  -1.005
   68    HD2  PHE  10           HD2      PHE  10  11.665  -6.211   2.061
   69    HE1  PHE  10           HE1      PHE  10  11.031  -4.976  -2.633
   70    HE2  PHE  10           HE2      PHE  10  13.439  -6.619   0.483
   71    HZ   PHE  10           HZ       PHE  10  13.008  -6.050  -2.031
   72    H    GLY  11           HN       GLY  11   7.793  -5.604  -1.438
   73    HA2  GLY  11           HA2      GLY  11   7.826  -7.853  -2.283
   74    HA3  GLY  11           HA1      GLY  11   6.989  -8.368  -0.831
   75    H    GLY  12           HN       GLY  12   4.913  -6.627  -0.673
   76    HA2  GLY  12           HA2      GLY  12   3.554  -6.189  -3.102
   77    HA3  GLY  12           HA1      GLY  12   3.039  -7.712  -2.395
   78    H    CYS  13           HN       CYS  13   1.067  -7.330  -1.609
   79    HA   CYS  13           HA       CYS  13   0.812  -5.387   0.531
   80    HB2  CYS  13           HB2      CYS  13  -0.833  -5.310  -1.989
   81    HB3  CYS  13           HB1      CYS  13  -1.278  -4.462  -0.511
   82    HA   PRO  14           HA       PRO  14  -1.618  -8.598   2.349
   83    HB2  PRO  14           HB2      PRO  14  -3.355  -6.376   3.266
   84    HB3  PRO  14           HB1      PRO  14  -2.595  -7.659   4.204
   85    HG2  PRO  14           HG2      PRO  14  -1.684  -5.122   4.222
   86    HG3  PRO  14           HG1      PRO  14  -0.616  -6.520   4.411
   87    HD2  PRO  14           HD2      PRO  14  -0.960  -4.708   2.100
   88    HD3  PRO  14           HD1      PRO  14   0.440  -5.691   2.568
   89    H    SER  15           HN       SER  15  -3.203  -9.753   1.438
   90    HA   SER  15           HA       SER  15  -4.403  -9.358  -0.881
   91    HB2  SER  15           HB2      SER  15  -5.872 -10.602   1.443
   92    HB3  SER  15           HB1      SER  15  -6.059 -10.990  -0.269
   93    HG   SER  15           HG       SER  15  -4.128 -11.993  -0.278
   94    H    HIS  16           HN       HIS  16  -5.449  -7.919   2.123
   95    HA   HIS  16           HA       HIS  16  -7.938  -6.961   1.152
   96    HB2  HIS  16           HB2      HIS  16  -6.686  -5.407   3.304
   97    HB3  HIS  16           HB1      HIS  16  -8.282  -6.143   3.225
   98    HD1  HIS  16           HD1      HIS  16  -5.086  -6.493   4.827
   99    HD2  HIS  16           HD2      HIS  16  -8.127  -9.047   3.668
  100    HE1  HIS  16           HE1      HIS  16  -4.670  -8.624   6.059
  101    HE2  HIS  16           HE2      HIS  16  -6.707 -10.028   5.598
  102    H    LEU  17           HN       LEU  17  -4.805  -5.420   1.684
  103    HA   LEU  17           HA       LEU  17  -5.660  -2.896   0.743
  104    HB2  LEU  17           HB2      LEU  17  -2.869  -3.939   1.159
  105    HB3  LEU  17           HB1      LEU  17  -3.302  -2.260   0.891
  106    HG   LEU  17           HG       LEU  17  -3.912  -3.966   3.289
  107   HD11  LEU  17          HD11      LEU  17  -1.739  -2.875   3.255
  108   HD12  LEU  17          HD12      LEU  17  -2.790  -2.170   4.482
  109   HD13  LEU  17          HD13      LEU  17  -2.520  -1.319   2.962
  110   HD21  LEU  17          HD21      LEU  17  -5.143  -1.356   2.461
  111   HD22  LEU  17          HD22      LEU  17  -5.080  -1.893   4.137
  112   HD23  LEU  17          HD23      LEU  17  -5.956  -2.849   2.941
  113    H    ILE  18           HN       ILE  18  -5.283  -1.825  -0.993
  114    HA   ILE  18           HA       ILE  18  -4.742  -3.241  -3.464
  115    HB   ILE  18           HB       ILE  18  -5.593  -0.921  -4.389
  116   HG12  ILE  18          HG12      ILE  18  -7.388  -0.058  -2.751
  117   HG13  ILE  18          HG11      ILE  18  -6.456  -0.848  -1.507
  118   HG21  ILE  18          HG21      ILE  18  -7.362  -2.130  -4.915
  119   HG22  ILE  18          HG22      ILE  18  -7.923  -2.124  -3.246
  120   HG23  ILE  18          HG23      ILE  18  -6.796  -3.365  -3.792
  121   HD11  ILE  18          HD11      ILE  18  -4.660   0.583  -1.762
  122   HD12  ILE  18          HD12      ILE  18  -6.055   1.636  -1.956
  123   HD13  ILE  18          HD13      ILE  18  -5.160   1.086  -3.371
  124    H    LYS  19           HN       LYS  19  -3.053  -2.747  -4.772
  125    HA   LYS  19           HA       LYS  19  -0.809  -1.396  -3.688
  126    HB2  LYS  19           HB2      LYS  19  -0.523  -3.242  -5.235
  127    HB3  LYS  19           HB1      LYS  19  -1.405  -2.382  -6.485
  128    HG2  LYS  19           HG2      LYS  19   0.857  -2.210  -7.070
  129    HG3  LYS  19           HG1      LYS  19   0.430  -0.640  -6.393
  130    HD2  LYS  19           HD2      LYS  19   1.473  -1.230  -4.292
  131    HD3  LYS  19           HD1      LYS  19   1.824  -2.852  -4.893
  132    HE2  LYS  19           HE2      LYS  19   2.880  -0.291  -6.083
  133    HE3  LYS  19           HE1      LYS  19   3.783  -1.346  -4.998
  134    HZ1  LYS  19           HZ1      LYS  19   3.820  -3.040  -6.611
  135    HZ2  LYS  19           HZ2      LYS  19   4.219  -1.624  -7.438
  136    HZ3  LYS  19           HZ3      LYS  19   2.668  -2.274  -7.579
  137    H    VAL  20           HN       VAL  20  -1.076   0.751  -3.310
  138    HA   VAL  20           HA       VAL  20  -2.407   2.469  -5.204
  139    HB   VAL  20           HB       VAL  20  -1.173   4.218  -3.509
  140   HG11  VAL  20          HG11      VAL  20  -3.357   4.161  -2.243
  141   HG12  VAL  20          HG12      VAL  20  -3.812   2.799  -3.268
  142   HG13  VAL  20          HG13      VAL  20  -3.477   4.372  -3.990
  143   HG21  VAL  20          HG21      VAL  20  -1.434   3.298  -1.231
  144   HG22  VAL  20          HG22      VAL  20  -0.165   2.493  -2.152
  145   HG23  VAL  20          HG23      VAL  20  -1.725   1.707  -1.934
  146    H    GLY  21           HN       GLY  21   0.888   1.673  -4.350
  147    HA2  GLY  21           HA2      GLY  21   1.977   2.417  -6.790
  148    HA3  GLY  21           HA1      GLY  21   2.131   3.816  -5.737
  149    H    SER  22           HN       SER  22   4.425   3.594  -5.871
  150    HA   SER  22           HA       SER  22   5.593   1.222  -4.649
  151    HB2  SER  22           HB2      SER  22   7.719   2.798  -5.232
  152    HB3  SER  22           HB1      SER  22   6.986   1.672  -6.375
  153    HG   SER  22           HG       SER  22   7.275   4.198  -6.744
  154    H    CYS  23           HN       CYS  23   6.865   1.245  -2.845
  155    HA   CYS  23           HA       CYS  23   6.419   3.489  -1.006
  156    HB2  CYS  23           HB2      CYS  23   5.672   1.311  -0.224
  157    HB3  CYS  23           HB1      CYS  23   7.245   0.619  -0.554
  158    H    PHE  24           HN       PHE  24   8.519   2.998   0.741
  159    HA   PHE  24           HA       PHE  24  10.640   4.370  -0.403
  160    HB2  PHE  24           HB2      PHE  24  10.196   4.198   2.044
  161    HB3  PHE  24           HB1      PHE  24  10.717   2.519   1.972
  162    HD1  PHE  24           HD1      PHE  24  12.039   5.768   0.700
  163    HD2  PHE  24           HD2      PHE  24  12.804   2.185   2.863
  164    HE1  PHE  24           HE1      PHE  24  14.365   6.484   1.060
  165    HE2  PHE  24           HE2      PHE  24  15.125   2.898   3.230
  166    HZ   PHE  24           HZ       PHE  24  15.910   5.048   2.329
  167    H    GLY  25           HN       GLY  25  11.670   3.632  -2.076
  168    HA2  GLY  25           HA2      GLY  25  12.999   2.331  -3.347
  169    HA3  GLY  25           HA1      GLY  25  13.367   1.404  -1.917
  170    H    PHE  26           HN       PHE  26  13.243  -0.566  -2.594
  171    HA   PHE  26           HA       PHE  26  11.653  -1.701  -4.542
  172    HB2  PHE  26           HB2      PHE  26  12.212  -3.857  -3.248
  173    HB3  PHE  26           HB1      PHE  26  13.547  -2.894  -3.856
  174    HD1  PHE  26           HD1      PHE  26  12.016  -1.294  -1.099
  175    HD2  PHE  26           HD2      PHE  26  14.761  -4.392  -2.077
  176    HE1  PHE  26           HE1      PHE  26  12.950  -1.201   1.174
  177    HE2  PHE  26           HE2      PHE  26  15.693  -4.317   0.172
  178    HZ   PHE  26           HZ       PHE  26  14.853  -2.649   1.784
  179    H    ARG  27           HN       ARG  27  10.630  -0.670  -1.455
  180    HA   ARG  27           HA       ARG  27   8.688  -2.667  -0.975
  181    HB2  ARG  27           HB2      ARG  27   9.109   0.073   0.153
  182    HB3  ARG  27           HB1      ARG  27   7.697  -0.895   0.586
  183    HG2  ARG  27           HG2      ARG  27   9.221  -2.713   1.244
  184    HG3  ARG  27           HG1      ARG  27  10.570  -1.637   0.958
  185    HD2  ARG  27           HD2      ARG  27   8.335  -1.038   2.870
  186    HD3  ARG  27           HD1      ARG  27   9.824  -1.846   3.345
  187    HE   ARG  27           HE       ARG  27  10.426   0.595   2.042
  188   HH11  ARG  27          HH11      ARG  27   9.043  -0.675   5.001
  189   HH12  ARG  27          HH12      ARG  27   9.620   0.616   6.000
  190   HH21  ARG  27          HH21      ARG  27  11.208   2.340   3.418
  191   HH22  ARG  27          HH22      ARG  27  10.833   2.320   5.102
  192    H    SER  28           HN       SER  28   6.399  -2.389  -0.885
  193    HA   SER  28           HA       SER  28   5.435  -0.894  -3.224
  194    HB2  SER  28           HB2      SER  28   4.365  -3.403  -1.897
  195    HB3  SER  28           HB1      SER  28   3.631  -2.605  -3.293
  196    HG   SER  28           HG       SER  28   5.343  -4.473  -3.429
  197    H    CYS  29           HN       CYS  29   3.739   0.472  -2.970
  198    HA   CYS  29           HA       CYS  29   2.989   1.110  -0.232
  199    HB2  CYS  29           HB2      CYS  29   3.294   2.609  -2.693
  200    HB3  CYS  29           HB1      CYS  29   1.718   2.905  -1.970
  201    H    CYS  30           HN       CYS  30   1.132   0.496   0.608
  202    HA   CYS  30           HA       CYS  30  -0.965  -0.466  -1.207
  203    HB2  CYS  30           HB2      CYS  30  -0.604  -1.457   1.599
  204    HB3  CYS  30           HB1      CYS  30  -1.388  -2.240   0.234
  205    H    ALA  31           HN       ALA  31  -3.012  -0.060  -0.724
  206    HA   ALA  31           HA       ALA  31  -3.668   1.692   1.510
  207    HB1  ALA  31           HB1      ALA  31  -3.784   2.344  -1.361
  208    HB2  ALA  31           HB2      ALA  31  -3.588   3.402   0.030
  209    HB3  ALA  31           HB3      ALA  31  -5.187   2.797  -0.405
  210    H    TRP  32           HN       TRP  32  -6.231   1.862   1.483
  211    HA   TRP  32           HA       TRP  32  -7.077  -0.880   1.351
  212    HB2  TRP  32           HB2      TRP  32  -7.900   1.548   2.779
  213    HB3  TRP  32           HB1      TRP  32  -9.185   0.387   2.435
  214    HD1  TRP  32           HD1      TRP  32  -6.173   0.953   4.664
  215    HE1  TRP  32           HE1      TRP  32  -5.993  -1.023   6.319
  216    HE3  TRP  32           HE3      TRP  32  -9.614  -2.076   2.573
  217    HZ2  TRP  32           HZ2      TRP  32  -7.197  -3.587   6.655
  218    HZ3  TRP  32           HZ3      TRP  32 -10.076  -4.290   3.580
  219    HH2  TRP  32           HH2      TRP  32  -8.881  -5.023   5.581
  220    HA   PRO  33           HA       PRO  33  -9.205  -0.862  -2.496
  221    HB2  PRO  33           HB2      PRO  33 -11.229  -2.593  -1.776
  222    HB3  PRO  33           HB1      PRO  33  -9.594  -3.080  -2.237
  223    HG2  PRO  33           HG2      PRO  33 -10.704  -2.588   0.518
  224    HG3  PRO  33           HG1      PRO  33  -9.770  -3.986  -0.072
  225    HD2  PRO  33           HD2      PRO  33  -8.501  -2.142   1.262
  226    HD3  PRO  33           HD1      PRO  33  -7.796  -2.688  -0.264
  227    H    TRP  34           HN       TRP  34 -10.972   0.216   0.340
  228    HA   TRP  34           HA       TRP  34 -13.517   0.491  -0.182
  229    HB2  TRP  34           HB2      TRP  34 -13.039   3.184   0.249
  230    HB3  TRP  34           HB1      TRP  34 -13.299   1.956   1.481
  231    HD1  TRP  34           HD1      TRP  34 -11.538   1.935   3.254
  232    HE1  TRP  34           HE1      TRP  34  -9.077   2.529   3.416
  233    HE3  TRP  34           HE3      TRP  34 -10.684   3.419  -1.564
  234    HZ2  TRP  34           HZ2      TRP  34  -7.008   3.429   1.755
  235    HZ3  TRP  34           HZ3      TRP  34  -8.425   4.092  -2.212
  236    HH2  TRP  34           HH2      TRP  34  -6.628   4.122  -0.585
  237    H    ASN  35           HN       ASN  35 -11.156   2.160  -2.119
  238    HA   ASN  35           HA       ASN  35 -13.039   2.521  -4.265
  239    HB2  ASN  35           HB2      ASN  35 -12.917   4.933  -4.327
  240    HB3  ASN  35           HB1      ASN  35 -13.428   4.425  -2.725
  241   HD21  ASN  35          HD21      ASN  35 -12.349   5.135  -0.998
  242   HD22  ASN  35          HD22      ASN  35 -10.857   6.002  -1.052
  243    H    ALA  36           HN       ALA  36 -10.556   1.184  -3.675
  244    HA   ALA  36           HA       ALA  36  -8.943   2.286  -5.858
  245    HB1  ALA  36           HB1      ALA  36  -8.097   1.756  -3.068
  246    HB2  ALA  36           HB2      ALA  36  -7.557   2.992  -4.202
  247    HB3  ALA  36           HB3      ALA  36  -6.969   1.339  -4.359
  Start of MODEL    4
    1    H1   LEU   1           HT1      LEU   1   5.063   0.924   7.281
    2    H2   LEU   1           HT2      LEU   1   4.231   1.421   8.663
    3    H3   LEU   1           HT3      LEU   1   5.905   1.618   8.566
    4    HA   LEU   1           HA       LEU   1   4.889   3.727   8.204
    5    HB2  LEU   1           HB2      LEU   1   6.885   3.079   6.869
    6    HB3  LEU   1           HB1      LEU   1   5.815   2.504   5.603
    7    HG   LEU   1           HG       LEU   1   4.901   4.860   5.463
    8   HD11  LEU   1          HD11      LEU   1   6.367   6.643   6.295
    9   HD12  LEU   1          HD12      LEU   1   7.333   5.436   7.143
   10   HD13  LEU   1          HD13      LEU   1   5.648   5.697   7.596
   11   HD21  LEU   1          HD21      LEU   1   6.457   5.469   3.881
   12   HD22  LEU   1          HD22      LEU   1   6.715   3.730   3.997
   13   HD23  LEU   1          HD23      LEU   1   7.816   4.840   4.813
   14    H    PHE   2           HN       PHE   2   3.208   4.923   7.434
   15    HA   PHE   2           HA       PHE   2   0.963   3.500   6.382
   16    HB2  PHE   2           HB2      PHE   2   0.855   5.479   8.000
   17    HB3  PHE   2           HB1      PHE   2   1.201   6.497   6.607
   18    HD1  PHE   2           HD2      PHE   2  -0.415   6.686   4.774
   19    HD2  PHE   2           HD1      PHE   2  -1.324   4.504   8.319
   20    HE1  PHE   2           HE2      PHE   2  -2.802   6.725   4.185
   21    HE2  PHE   2           HE1      PHE   2  -3.709   4.534   7.727
   22    HZ   PHE   2           HZ       PHE   2  -4.466   5.667   5.728
   23    H    CYS   3           HN       CYS   3  -0.206   4.359   4.493
   24    HA   CYS   3           HA       CYS   3   1.420   5.589   2.416
   25    HB2  CYS   3           HB2      CYS   3   1.755   3.194   2.016
   26    HB3  CYS   3           HB1      CYS   3   0.014   2.936   2.047
   27    H    LYS   4           HN       LYS   4   0.130   6.713   0.919
   28    HA   LYS   4           HA       LYS   4  -2.181   7.854   1.799
   29    HB2  LYS   4           HB2      LYS   4  -1.485   7.319  -1.094
   30    HB3  LYS   4           HB1      LYS   4  -2.657   8.500  -0.526
   31    HG2  LYS   4           HG2      LYS   4  -0.778   9.592   0.743
   32    HG3  LYS   4           HG1      LYS   4   0.320   8.523  -0.127
   33    HD2  LYS   4           HD2      LYS   4   0.291  10.569  -1.322
   34    HD3  LYS   4           HD1      LYS   4  -0.670   9.427  -2.260
   35    HE2  LYS   4           HE2      LYS   4  -2.720  10.381  -1.344
   36    HE3  LYS   4           HE1      LYS   4  -1.772  11.497  -0.364
   37    HZ1  LYS   4           HZ1      LYS   4  -2.619  11.785  -3.027
   38    HZ2  LYS   4           HZ2      LYS   4  -0.931  11.791  -3.000
   39    HZ3  LYS   4           HZ3      LYS   4  -1.796  12.897  -2.060
   40    H    GLY   5           HN       GLY   5  -3.386   6.188   2.798
   41    HA2  GLY   5           HA2      GLY   5  -5.712   5.435   2.241
   42    HA3  GLY   5           HA1      GLY   5  -4.957   4.536   0.946
   43    H    GLY   6           HN       GLY   6  -2.642   3.755   2.559
   44    HA2  GLY   6           HA2      GLY   6  -3.768   2.171   4.726
   45    HA3  GLY   6           HA1      GLY   6  -3.181   1.263   3.346
   46    H    SER   7           HN       SER   7  -1.136   0.591   3.455
   47    HA   SER   7           HA       SER   7   0.866   2.212   4.784
   48    HB2  SER   7           HB2      SER   7   0.307  -0.621   5.679
   49    HB3  SER   7           HB1      SER   7   1.554   0.448   6.317
   50    HG   SER   7           HG       SER   7  -0.667   1.802   6.520
   51    H    CYS   8           HN       CYS   8   3.049   1.066   4.683
   52    HA   CYS   8           HA       CYS   8   3.426   0.086   1.957
   53    HB2  CYS   8           HB2      CYS   8   5.317   1.181   4.042
   54    HB3  CYS   8           HB1      CYS   8   5.852   0.540   2.492
   55    H    HIS   9           HN       HIS   9   4.448  -1.797   1.455
   56    HA   HIS   9           HA       HIS   9   5.423  -3.550   3.550
   57    HB2  HIS   9           HB2      HIS   9   3.305  -4.508   1.628
   58    HB3  HIS   9           HB1      HIS   9   4.000  -5.377   2.984
   59    HD1  HIS   9           HD1      HIS   9   3.106  -4.776   5.360
   60    HD2  HIS   9           HD2      HIS   9   1.342  -2.709   2.236
   61    HE1  HIS   9           HE1      HIS   9   1.061  -3.692   6.348
   62    HE2  HIS   9           HE2      HIS   9  -0.085  -2.590   4.403
   63    H    PHE  10           HN       PHE  10   7.248  -4.387   2.802
   64    HA   PHE  10           HA       PHE  10   8.041  -4.076   0.127
   65    HB2  PHE  10           HB2      PHE  10   9.613  -4.234   2.095
   66    HB3  PHE  10           HB1      PHE  10   9.258  -5.954   2.157
   67    HD1  PHE  10           HD1      PHE  10   9.303  -4.493  -1.134
   68    HD2  PHE  10           HD2      PHE  10  11.705  -6.277   1.882
   69    HE1  PHE  10           HE1      PHE  10  11.074  -4.915  -2.781
   70    HE2  PHE  10           HE2      PHE  10  13.462  -6.692   0.271
   71    HZ   PHE  10           HZ       PHE  10  13.065  -6.038  -2.182
   72    H    GLY  11           HN       GLY  11   7.706  -5.358  -1.598
   73    HA2  GLY  11           HA2      GLY  11   7.713  -7.579  -2.556
   74    HA3  GLY  11           HA1      GLY  11   6.868  -8.144  -1.131
   75    H    GLY  12           HN       GLY  12   4.758  -6.584  -0.830
   76    HA2  GLY  12           HA2      GLY  12   3.442  -5.915  -3.260
   77    HA3  GLY  12           HA1      GLY  12   2.916  -7.472  -2.645
   78    H    CYS  13           HN       CYS  13   0.978  -7.206  -1.759
   79    HA   CYS  13           HA       CYS  13   0.675  -5.282   0.397
   80    HB2  CYS  13           HB2      CYS  13  -1.039  -5.296  -2.080
   81    HB3  CYS  13           HB1      CYS  13  -1.481  -4.455  -0.588
   82    HA   PRO  14           HA       PRO  14  -1.639  -8.574   2.210
   83    HB2  PRO  14           HB2      PRO  14  -3.358  -6.453   3.352
   84    HB3  PRO  14           HB1      PRO  14  -2.439  -7.711   4.178
   85    HG2  PRO  14           HG2      PRO  14  -1.669  -5.145   4.217
   86    HG3  PRO  14           HG1      PRO  14  -0.495  -6.474   4.182
   87    HD2  PRO  14           HD2      PRO  14  -1.361  -4.646   1.990
   88    HD3  PRO  14           HD1      PRO  14   0.232  -5.361   2.305
   89    H    SER  15           HN       SER  15  -3.285  -9.710   1.397
   90    HA   SER  15           HA       SER  15  -4.655  -9.271  -0.824
   91    HB2  SER  15           HB2      SER  15  -6.460 -10.780   0.112
   92    HB3  SER  15           HB1      SER  15  -4.813 -11.392   0.263
   93    HG   SER  15           HG       SER  15  -6.544 -11.106   2.183
   94    H    HIS  16           HN       HIS  16  -5.491  -7.952   2.301
   95    HA   HIS  16           HA       HIS  16  -8.065  -7.005   1.634
   96    HB2  HIS  16           HB2      HIS  16  -6.557  -5.409   3.582
   97    HB3  HIS  16           HB1      HIS  16  -8.154  -6.130   3.713
   98    HD1  HIS  16           HD1      HIS  16  -4.905  -6.407   5.087
   99    HD2  HIS  16           HD2      HIS  16  -7.857  -9.111   4.026
  100    HE1  HIS  16           HE1      HIS  16  -4.326  -8.527   6.270
  101    HE2  HIS  16           HE2      HIS  16  -6.039 -10.200   5.510
  102    H    LEU  17           HN       LEU  17  -4.908  -5.424   1.703
  103    HA   LEU  17           HA       LEU  17  -5.918  -2.918   0.884
  104    HB2  LEU  17           HB2      LEU  17  -3.080  -3.911   0.933
  105    HB3  LEU  17           HB1      LEU  17  -3.567  -2.246   0.710
  106    HG   LEU  17           HG       LEU  17  -3.856  -3.935   3.181
  107   HD11  LEU  17          HD11      LEU  17  -2.783  -1.790   4.113
  108   HD12  LEU  17          HD12      LEU  17  -2.357  -1.464   2.435
  109   HD13  LEU  17          HD13      LEU  17  -1.778  -2.934   3.224
  110   HD21  LEU  17          HD21      LEU  17  -5.955  -2.855   3.052
  111   HD22  LEU  17          HD22      LEU  17  -5.226  -1.346   2.495
  112   HD23  LEU  17          HD23      LEU  17  -4.972  -1.888   4.152
  113    H    ILE  18           HN       ILE  18  -4.464  -1.839  -0.887
  114    HA   ILE  18           HA       ILE  18  -4.601  -3.318  -3.387
  115    HB   ILE  18           HB       ILE  18  -5.514  -0.973  -4.267
  116   HG12  ILE  18          HG12      ILE  18  -7.331  -0.298  -2.525
  117   HG13  ILE  18          HG11      ILE  18  -6.255  -1.036  -1.372
  118   HG21  ILE  18          HG21      ILE  18  -7.841  -1.847  -4.005
  119   HG22  ILE  18          HG22      ILE  18  -7.168  -3.146  -3.021
  120   HG23  ILE  18          HG23      ILE  18  -6.690  -2.982  -4.711
  121   HD11  ILE  18          HD11      ILE  18  -4.592   0.537  -1.743
  122   HD12  ILE  18          HD12      ILE  18  -6.081   1.473  -1.750
  123   HD13  ILE  18          HD13      ILE  18  -5.289   1.057  -3.269
  124    H    LYS  19           HN       LYS  19  -2.921  -2.840  -4.704
  125    HA   LYS  19           HA       LYS  19  -0.697  -1.465  -3.667
  126    HB2  LYS  19           HB2      LYS  19  -0.529  -3.307  -5.284
  127    HB3  LYS  19           HB1      LYS  19  -1.283  -2.303  -6.512
  128    HG2  LYS  19           HG2      LYS  19   1.057  -2.327  -6.919
  129    HG3  LYS  19           HG1      LYS  19   0.633  -0.729  -6.304
  130    HD2  LYS  19           HD2      LYS  19   1.587  -1.159  -4.207
  131    HD3  LYS  19           HD1      LYS  19   1.636  -2.901  -4.491
  132    HE2  LYS  19           HE2      LYS  19   3.198  -0.961  -6.170
  133    HE3  LYS  19           HE1      LYS  19   3.840  -1.616  -4.669
  134    HZ1  LYS  19           HZ1      LYS  19   3.880  -2.784  -7.186
  135    HZ2  LYS  19           HZ2      LYS  19   2.819  -3.711  -6.253
  136    HZ3  LYS  19           HZ3      LYS  19   4.407  -3.460  -5.728
  137    H    VAL  20           HN       VAL  20  -1.121   0.674  -3.193
  138    HA   VAL  20           HA       VAL  20  -2.400   2.437  -5.050
  139    HB   VAL  20           HB       VAL  20  -1.057   4.160  -3.407
  140   HG11  VAL  20          HG11      VAL  20  -3.737   2.840  -3.150
  141   HG12  VAL  20          HG12      VAL  20  -3.342   4.460  -3.729
  142   HG13  VAL  20          HG13      VAL  20  -3.208   4.083  -2.009
  143   HG21  VAL  20          HG21      VAL  20  -0.033   2.480  -2.047
  144   HG22  VAL  20          HG22      VAL  20  -1.569   1.649  -1.821
  145   HG23  VAL  20          HG23      VAL  20  -1.313   3.238  -1.103
  146    H    GLY  21           HN       GLY  21   0.858   1.484  -4.345
  147    HA2  GLY  21           HA2      GLY  21   1.947   2.126  -6.789
  148    HA3  GLY  21           HA1      GLY  21   2.162   3.566  -5.802
  149    H    SER  22           HN       SER  22   4.412   3.360  -5.782
  150    HA   SER  22           HA       SER  22   5.450   1.045  -4.294
  151    HB2  SER  22           HB2      SER  22   7.695   1.864  -5.243
  152    HB3  SER  22           HB1      SER  22   6.569   1.107  -6.366
  153    HG   SER  22           HG       SER  22   7.235   3.829  -6.071
  154    H    CYS  23           HN       CYS  23   6.737   1.370  -2.510
  155    HA   CYS  23           HA       CYS  23   6.533   4.030  -1.322
  156    HB2  CYS  23           HB2      CYS  23   7.097   1.328  -0.108
  157    HB3  CYS  23           HB1      CYS  23   7.164   2.840   0.792
  158    H    PHE  24           HN       PHE  24   8.658   3.809   0.525
  159    HA   PHE  24           HA       PHE  24  10.718   4.898  -0.930
  160    HB2  PHE  24           HB2      PHE  24  10.407   5.059   1.565
  161    HB3  PHE  24           HB1      PHE  24  11.055   3.429   1.685
  162    HD1  PHE  24           HD1      PHE  24  12.104   6.365  -0.363
  163    HD2  PHE  24           HD2      PHE  24  13.139   3.558   2.662
  164    HE1  PHE  24           HE1      PHE  24  14.385   7.278  -0.304
  165    HE2  PHE  24           HE2      PHE  24  15.422   4.470   2.729
  166    HZ   PHE  24           HZ       PHE  24  16.041   6.348   1.248
  167    H    GLY  25           HN       GLY  25  11.567   3.951  -2.556
  168    HA2  GLY  25           HA2      GLY  25  12.898   2.560  -3.726
  169    HA3  GLY  25           HA1      GLY  25  13.307   1.752  -2.237
  170    H    PHE  26           HN       PHE  26  13.198  -0.231  -2.766
  171    HA   PHE  26           HA       PHE  26  11.639  -1.572  -4.579
  172    HB2  PHE  26           HB2      PHE  26  12.275  -3.537  -2.898
  173    HB3  PHE  26           HB1      PHE  26  13.480  -2.754  -3.910
  174    HD1  PHE  26           HD1      PHE  26  11.986  -1.089  -0.996
  175    HD2  PHE  26           HD2      PHE  26  15.331  -3.269  -2.449
  176    HE1  PHE  26           HE1      PHE  26  13.249  -0.409   0.979
  177    HE2  PHE  26           HE2      PHE  26  16.616  -2.606  -0.454
  178    HZ   PHE  26           HZ       PHE  26  15.578  -1.177   1.263
  179    H    ARG  27           HN       ARG  27  10.627  -0.473  -1.486
  180    HA   ARG  27           HA       ARG  27   8.739  -2.536  -1.018
  181    HB2  ARG  27           HB2      ARG  27   9.181   0.154   0.216
  182    HB3  ARG  27           HB1      ARG  27   7.831  -0.879   0.691
  183    HG2  ARG  27           HG2      ARG  27   9.365  -2.664   1.253
  184    HG3  ARG  27           HG1      ARG  27  10.723  -1.690   0.731
  185    HD2  ARG  27           HD2      ARG  27   8.854  -0.894   2.947
  186    HD3  ARG  27           HD1      ARG  27  10.372  -1.756   3.203
  187    HE   ARG  27           HE       ARG  27  10.720   0.601   1.646
  188   HH11  ARG  27          HH11      ARG  27  10.326  -0.583   4.900
  189   HH12  ARG  27          HH12      ARG  27  11.163   0.742   5.634
  190   HH21  ARG  27          HH21      ARG  27  11.845   2.355   2.605
  191   HH22  ARG  27          HH22      ARG  27  12.027   2.421   4.324
  192    H    SER  28           HN       SER  28   6.492  -2.413  -0.940
  193    HA   SER  28           HA       SER  28   5.411  -0.821  -3.135
  194    HB2  SER  28           HB2      SER  28   4.620  -3.442  -1.881
  195    HB3  SER  28           HB1      SER  28   3.519  -2.556  -2.943
  196    HG   SER  28           HG       SER  28   5.801  -3.989  -3.533
  197    H    CYS  29           HN       CYS  29   3.701   0.478  -2.877
  198    HA   CYS  29           HA       CYS  29   2.992   1.213  -0.146
  199    HB2  CYS  29           HB2      CYS  29   3.600   2.713  -2.360
  200    HB3  CYS  29           HB1      CYS  29   1.846   2.704  -2.426
  201    H    CYS  30           HN       CYS  30   1.117   0.529   0.723
  202    HA   CYS  30           HA       CYS  30  -0.946  -0.478  -1.099
  203    HB2  CYS  30           HB2      CYS  30  -0.368  -1.494   1.676
  204    HB3  CYS  30           HB1      CYS  30  -1.378  -2.238   0.436
  205    H    ALA  31           HN       ALA  31  -2.937   0.063  -0.781
  206    HA   ALA  31           HA       ALA  31  -3.690   1.679   1.540
  207    HB1  ALA  31           HB1      ALA  31  -3.565   3.371   0.005
  208    HB2  ALA  31           HB2      ALA  31  -5.226   2.835  -0.241
  209    HB3  ALA  31           HB3      ALA  31  -3.961   2.316  -1.344
  210    H    TRP  32           HN       TRP  32  -6.255   1.815   1.478
  211    HA   TRP  32           HA       TRP  32  -7.079  -0.938   1.373
  212    HB2  TRP  32           HB2      TRP  32  -7.989   1.549   2.664
  213    HB3  TRP  32           HB1      TRP  32  -9.201   0.294   2.403
  214    HD1  TRP  32           HD1      TRP  32  -6.136   1.134   4.516
  215    HE1  TRP  32           HE1      TRP  32  -5.901  -0.662   6.357
  216    HE3  TRP  32           HE3      TRP  32  -9.603  -2.091   2.822
  217    HZ2  TRP  32           HZ2      TRP  32  -7.075  -3.185   6.971
  218    HZ3  TRP  32           HZ3      TRP  32 -10.021  -4.200   4.047
  219    HH2  TRP  32           HH2      TRP  32  -8.776  -4.732   6.087
  220    HA   PRO  33           HA       PRO  33  -9.071  -0.997  -2.536
  221    HB2  PRO  33           HB2      PRO  33 -11.203  -2.617  -1.888
  222    HB3  PRO  33           HB1      PRO  33  -9.569  -3.177  -2.262
  223    HG2  PRO  33           HG2      PRO  33 -10.824  -2.649   0.414
  224    HG3  PRO  33           HG1      PRO  33  -9.844  -4.037  -0.104
  225    HD2  PRO  33           HD2      PRO  33  -8.728  -2.129   1.326
  226    HD3  PRO  33           HD1      PRO  33  -7.857  -2.776  -0.071
  227    H    TRP  34           HN       TRP  34 -11.086   0.079   0.159
  228    HA   TRP  34           HA       TRP  34 -13.523   0.491  -0.549
  229    HB2  TRP  34           HB2      TRP  34 -13.024   3.162  -0.106
  230    HB3  TRP  34           HB1      TRP  34 -13.329   1.943   1.125
  231    HD1  TRP  34           HD1      TRP  34 -11.607   1.871   2.940
  232    HE1  TRP  34           HE1      TRP  34  -9.151   2.474   3.172
  233    HE3  TRP  34           HE3      TRP  34 -10.631   3.427  -1.835
  234    HZ2  TRP  34           HZ2      TRP  34  -7.051   3.396   1.591
  235    HZ3  TRP  34           HZ3      TRP  34  -8.356   4.115  -2.403
  236    HH2  TRP  34           HH2      TRP  34  -6.608   4.123  -0.722
  237    H    ASN  35           HN       ASN  35 -11.000   2.119  -2.400
  238    HA   ASN  35           HA       ASN  35 -12.884   2.526  -4.587
  239    HB2  ASN  35           HB2      ASN  35 -11.317   4.937  -3.837
  240    HB3  ASN  35           HB1      ASN  35 -12.906   4.829  -4.581
  241   HD21  ASN  35          HD21      ASN  35 -11.159   5.335  -1.732
  242   HD22  ASN  35          HD22      ASN  35 -12.495   5.399  -0.634
  243    H    ALA  36           HN       ALA  36 -10.232   1.188  -3.857
  244    HA   ALA  36           HA       ALA  36  -8.457   2.493  -5.774
  245    HB1  ALA  36           HB1      ALA  36  -6.758   1.736  -4.549
  246    HB2  ALA  36           HB2      ALA  36  -7.443   0.118  -4.434
  247    HB3  ALA  36           HB3      ALA  36  -7.976   1.382  -3.320
  Start of MODEL    5
    1    H1   LEU   1           HT1      LEU   1   5.779   1.572   6.513
    2    H2   LEU   1           HT2      LEU   1   4.711   2.411   7.510
    3    H3   LEU   1           HT3      LEU   1   6.373   2.672   7.647
    4    HA   LEU   1           HA       LEU   1   5.862   4.483   6.411
    5    HB2  LEU   1           HB2      LEU   1   7.279   2.706   5.144
    6    HB3  LEU   1           HB1      LEU   1   5.835   2.459   4.181
    7    HG   LEU   1           HG       LEU   1   7.423   3.947   3.069
    8   HD11  LEU   1          HD11      LEU   1   4.818   4.213   3.037
    9   HD12  LEU   1          HD12      LEU   1   5.861   5.398   2.251
   10   HD13  LEU   1          HD13      LEU   1   5.183   5.739   3.842
   11   HD21  LEU   1          HD21      LEU   1   6.971   5.788   5.409
   12   HD22  LEU   1          HD22      LEU   1   7.888   6.163   3.954
   13   HD23  LEU   1          HD23      LEU   1   8.460   4.913   5.056
   14    H    PHE   2           HN       PHE   2   4.037   5.661   6.057
   15    HA   PHE   2           HA       PHE   2   1.614   4.237   5.456
   16    HB2  PHE   2           HB2      PHE   2   1.774   6.249   7.063
   17    HB3  PHE   2           HB1      PHE   2   1.776   7.222   5.594
   18    HD1  PHE   2           HD2      PHE   2  -0.168   7.151   4.050
   19    HD2  PHE   2           HD1      PHE   2  -0.216   5.229   7.846
   20    HE1  PHE   2           HE2      PHE   2  -2.616   6.980   3.922
   21    HE2  PHE   2           HE1      PHE   2  -2.668   5.051   7.725
   22    HZ   PHE   2           HZ       PHE   2  -3.870   5.930   5.764
   23    H    CYS   3           HN       CYS   3   0.196   4.858   3.768
   24    HA   CYS   3           HA       CYS   3   1.367   6.199   1.463
   25    HB2  CYS   3           HB2      CYS   3   0.138   3.440   1.279
   26    HB3  CYS   3           HB1      CYS   3   0.836   4.374  -0.041
   27    H    LYS   4           HN       LYS   4  -0.182   7.249   0.263
   28    HA   LYS   4           HA       LYS   4  -2.455   8.172   1.359
   29    HB2  LYS   4           HB2      LYS   4  -2.133   7.554  -1.580
   30    HB3  LYS   4           HB1      LYS   4  -3.259   8.708  -0.883
   31    HG2  LYS   4           HG2      LYS   4  -1.394  10.045  -0.061
   32    HG3  LYS   4           HG1      LYS   4  -0.257   8.879  -0.732
   33    HD2  LYS   4           HD2      LYS   4  -0.293  10.506  -2.369
   34    HD3  LYS   4           HD1      LYS   4  -1.493   9.362  -2.970
   35    HE2  LYS   4           HE2      LYS   4  -2.072  11.889  -1.425
   36    HE3  LYS   4           HE1      LYS   4  -2.266  11.675  -3.161
   37    HZ1  LYS   4           HZ1      LYS   4  -3.852   9.817  -2.552
   38    HZ2  LYS   4           HZ2      LYS   4  -4.383  11.392  -2.265
   39    HZ3  LYS   4           HZ3      LYS   4  -3.833  10.445  -0.983
   40    H    GLY   5           HN       GLY   5  -3.371   6.402   2.558
   41    HA2  GLY   5           HA2      GLY   5  -5.744   5.485   2.145
   42    HA3  GLY   5           HA1      GLY   5  -4.922   4.498   0.955
   43    H    GLY   6           HN       GLY   6  -2.566   3.992   2.460
   44    HA2  GLY   6           HA2      GLY   6  -3.369   2.761   4.954
   45    HA3  GLY   6           HA1      GLY   6  -3.007   1.628   3.659
   46    H    SER   7           HN       SER   7  -1.011   0.840   3.800
   47    HA   SER   7           HA       SER   7   1.203   2.654   4.309
   48    HB2  SER   7           HB2      SER   7   0.873   0.115   5.918
   49    HB3  SER   7           HB1      SER   7   2.140   1.323   6.090
   50    HG   SER   7           HG       SER   7  -0.188   2.570   6.292
   51    H    CYS   8           HN       CYS   8   3.318   1.571   3.865
   52    HA   CYS   8           HA       CYS   8   2.986  -0.144   1.542
   53    HB2  CYS   8           HB2      CYS   8   4.884   0.793   0.705
   54    HB3  CYS   8           HB1      CYS   8   4.380   2.096   1.749
   55    H    HIS   9           HN       HIS   9   3.816  -2.099   1.299
   56    HA   HIS   9           HA       HIS   9   5.286  -3.289   3.557
   57    HB2  HIS   9           HB2      HIS   9   3.233  -4.729   1.867
   58    HB3  HIS   9           HB1      HIS   9   4.031  -5.324   3.317
   59    HD1  HIS   9           HD1      HIS   9   2.943  -4.763   5.544
   60    HD2  HIS   9           HD2      HIS   9   1.280  -2.719   2.346
   61    HE1  HIS   9           HE1      HIS   9   0.839  -3.717   6.437
   62    HE2  HIS   9           HE2      HIS   9  -0.030  -2.313   4.534
   63    H    PHE  10           HN       PHE  10   7.037  -4.447   2.960
   64    HA   PHE  10           HA       PHE  10   7.914  -4.253   0.283
   65    HB2  PHE  10           HB2      PHE  10   9.308  -4.385   2.503
   66    HB3  PHE  10           HB1      PHE  10   9.179  -6.121   2.258
   67    HD1  PHE  10           HD1      PHE  10   9.166  -4.493  -0.853
   68    HD2  PHE  10           HD2      PHE  10  11.775  -5.725   2.269
   69    HE1  PHE  10           HE1      PHE  10  11.069  -4.429  -2.402
   70    HE2  PHE  10           HE2      PHE  10  13.660  -5.666   0.747
   71    HZ   PHE  10           HZ       PHE  10  13.321  -4.990  -1.617
   72    H    GLY  11           HN       GLY  11   7.844  -5.733  -1.340
   73    HA2  GLY  11           HA2      GLY  11   7.768  -7.992  -2.145
   74    HA3  GLY  11           HA1      GLY  11   6.871  -8.437  -0.704
   75    H    GLY  12           HN       GLY  12   4.950  -6.395  -0.718
   76    HA2  GLY  12           HA2      GLY  12   3.652  -5.927  -3.105
   77    HA3  GLY  12           HA1      GLY  12   3.090  -7.490  -2.536
   78    H    CYS  13           HN       CYS  13   1.135  -7.230  -1.719
   79    HA   CYS  13           HA       CYS  13   0.754  -5.368   0.472
   80    HB2  CYS  13           HB2      CYS  13  -0.867  -5.284  -2.068
   81    HB3  CYS  13           HB1      CYS  13  -1.359  -4.504  -0.568
   82    HA   PRO  14           HA       PRO  14  -1.582  -8.751   2.091
   83    HB2  PRO  14           HB2      PRO  14  -3.351  -6.651   3.212
   84    HB3  PRO  14           HB1      PRO  14  -2.509  -7.960   4.040
   85    HG2  PRO  14           HG2      PRO  14  -1.694  -5.410   4.217
   86    HG3  PRO  14           HG1      PRO  14  -0.554  -6.766   4.221
   87    HD2  PRO  14           HD2      PRO  14  -1.180  -4.822   2.062
   88    HD3  PRO  14           HD1      PRO  14   0.341  -5.660   2.423
   89    H    SER  15           HN       SER  15  -3.191  -9.873   1.171
   90    HA   SER  15           HA       SER  15  -4.444  -9.380  -1.107
   91    HB2  SER  15           HB2      SER  15  -6.381 -10.829  -0.184
   92    HB3  SER  15           HB1      SER  15  -4.761 -11.520  -0.200
   93    HG   SER  15           HG       SER  15  -4.584 -11.176   1.970
   94    H    HIS  16           HN       HIS  16  -5.444  -8.107   1.971
   95    HA   HIS  16           HA       HIS  16  -7.975  -7.121   1.193
   96    HB2  HIS  16           HB2      HIS  16  -6.548  -5.638   3.290
   97    HB3  HIS  16           HB1      HIS  16  -8.145  -6.377   3.322
   98    HD1  HIS  16           HD1      HIS  16  -5.338  -6.642   5.199
   99    HD2  HIS  16           HD2      HIS  16  -7.422  -9.461   2.993
  100    HE1  HIS  16           HE1      HIS  16  -4.600  -8.861   6.065
  101    HE2  HIS  16           HE2      HIS  16  -6.046 -10.547   4.892
  102    H    LEU  17           HN       LEU  17  -4.832  -5.566   1.578
  103    HA   LEU  17           HA       LEU  17  -5.766  -3.030   0.732
  104    HB2  LEU  17           HB2      LEU  17  -2.947  -4.018   1.073
  105    HB3  LEU  17           HB1      LEU  17  -3.421  -2.345   0.846
  106    HG   LEU  17           HG       LEU  17  -3.976  -4.108   3.214
  107   HD11  LEU  17          HD11      LEU  17  -2.593  -2.727   4.404
  108   HD12  LEU  17          HD12      LEU  17  -2.825  -1.364   3.305
  109   HD13  LEU  17          HD13      LEU  17  -1.801  -2.723   2.830
  110   HD21  LEU  17          HD21      LEU  17  -5.217  -1.473   2.473
  111   HD22  LEU  17          HD22      LEU  17  -5.167  -2.082   4.126
  112   HD23  LEU  17          HD23      LEU  17  -6.030  -2.986   2.882
  113    H    ILE  18           HN       ILE  18  -5.303  -1.857  -0.951
  114    HA   ILE  18           HA       ILE  18  -4.838  -3.202  -3.483
  115    HB   ILE  18           HB       ILE  18  -5.666  -0.838  -4.311
  116   HG12  ILE  18          HG12      ILE  18  -7.496  -0.093  -2.615
  117   HG13  ILE  18          HG11      ILE  18  -6.505  -0.894  -1.425
  118   HG21  ILE  18          HG21      ILE  18  -7.332  -3.023  -3.136
  119   HG22  ILE  18          HG22      ILE  18  -6.899  -2.746  -4.824
  120   HG23  ILE  18          HG23      ILE  18  -8.034  -1.663  -4.014
  121   HD11  ILE  18          HD11      ILE  18  -5.388   1.190  -3.253
  122   HD12  ILE  18          HD12      ILE  18  -4.727   0.578  -1.741
  123   HD13  ILE  18          HD13      ILE  18  -6.170   1.588  -1.724
  124    H    LYS  19           HN       LYS  19  -3.174  -2.639  -4.812
  125    HA   LYS  19           HA       LYS  19  -0.933  -1.316  -3.645
  126    HB2  LYS  19           HB2      LYS  19  -0.684  -3.201  -5.199
  127    HB3  LYS  19           HB1      LYS  19  -1.408  -2.251  -6.483
  128    HG2  LYS  19           HG2      LYS  19   0.970  -2.314  -6.780
  129    HG3  LYS  19           HG1      LYS  19   0.485  -0.675  -6.344
  130    HD2  LYS  19           HD2      LYS  19   1.312  -0.907  -4.150
  131    HD3  LYS  19           HD1      LYS  19   1.470  -2.656  -4.308
  132    HE2  LYS  19           HE2      LYS  19   3.018  -0.748  -6.038
  133    HE3  LYS  19           HE1      LYS  19   3.605  -1.253  -4.457
  134    HZ1  LYS  19           HZ1      LYS  19   2.844  -3.200  -6.545
  135    HZ2  LYS  19           HZ2      LYS  19   3.773  -3.464  -5.160
  136    HZ3  LYS  19           HZ3      LYS  19   4.403  -2.560  -6.438
  137    H    VAL  20           HN       VAL  20  -1.046   0.825  -3.335
  138    HA   VAL  20           HA       VAL  20  -2.369   2.553  -5.251
  139    HB   VAL  20           HB       VAL  20  -1.237   4.339  -3.589
  140   HG11  VAL  20          HG11      VAL  20  -3.330   4.078  -2.150
  141   HG12  VAL  20          HG12      VAL  20  -3.748   2.732  -3.217
  142   HG13  VAL  20          HG13      VAL  20  -3.562   4.355  -3.877
  143   HG21  VAL  20          HG21      VAL  20  -0.061   2.531  -2.344
  144   HG22  VAL  20          HG22      VAL  20  -1.632   1.929  -1.824
  145   HG23  VAL  20          HG23      VAL  20  -1.100   3.539  -1.337
  146    H    GLY  21           HN       GLY  21   0.865   1.658  -4.306
  147    HA2  GLY  21           HA2      GLY  21   2.060   2.367  -6.721
  148    HA3  GLY  21           HA1      GLY  21   2.283   3.722  -5.620
  149    H    SER  22           HN       SER  22   4.581   3.302  -5.707
  150    HA   SER  22           HA       SER  22   5.452   0.828  -4.408
  151    HB2  SER  22           HB2      SER  22   6.589   1.591  -6.508
  152    HB3  SER  22           HB1      SER  22   7.170   2.995  -5.619
  153    HG   SER  22           HG       SER  22   8.727   1.345  -5.629
  154    H    CYS  23           HN       CYS  23   7.731   1.597  -3.130
  155    HA   CYS  23           HA       CYS  23   6.982   3.722  -1.266
  156    HB2  CYS  23           HB2      CYS  23   6.029   1.657  -0.381
  157    HB3  CYS  23           HB1      CYS  23   7.594   0.883  -0.460
  158    H    PHE  24           HN       PHE  24   8.952   3.265   0.621
  159    HA   PHE  24           HA       PHE  24  11.171   4.417  -0.590
  160    HB2  PHE  24           HB2      PHE  24  10.484   4.819   1.748
  161    HB3  PHE  24           HB1      PHE  24  10.969   3.177   2.146
  162    HD1  PHE  24           HD1      PHE  24  12.571   5.909   0.163
  163    HD2  PHE  24           HD2      PHE  24  12.868   3.197   3.427
  164    HE1  PHE  24           HE1      PHE  24  14.860   6.690   0.596
  165    HE2  PHE  24           HE2      PHE  24  15.160   3.975   3.867
  166    HZ   PHE  24           HZ       PHE  24  16.150   5.748   2.447
  167    H    GLY  25           HN       GLY  25  12.899   3.703  -1.393
  168    HA2  GLY  25           HA2      GLY  25  14.596   2.385  -1.986
  169    HA3  GLY  25           HA1      GLY  25  14.225   1.354  -0.637
  170    H    PHE  26           HN       PHE  26  11.680   0.453  -1.463
  171    HA   PHE  26           HA       PHE  26  11.644  -0.593  -4.080
  172    HB2  PHE  26           HB2      PHE  26  12.282  -3.000  -3.194
  173    HB3  PHE  26           HB1      PHE  26  13.527  -1.869  -3.704
  174    HD1  PHE  26           HD1      PHE  26  11.867  -1.121  -0.586
  175    HD2  PHE  26           HD2      PHE  26  15.127  -3.225  -2.324
  176    HE1  PHE  26           HE1      PHE  26  12.923  -1.341   1.627
  177    HE2  PHE  26           HE2      PHE  26  16.172  -3.466  -0.141
  178    HZ   PHE  26           HZ       PHE  26  15.138  -2.339   1.840
  179    H    ARG  27           HN       ARG  27  10.472  -0.404  -0.914
  180    HA   ARG  27           HA       ARG  27   8.703  -2.583  -0.860
  181    HB2  ARG  27           HB2      ARG  27   8.815   0.027   0.614
  182    HB3  ARG  27           HB1      ARG  27   7.498  -1.112   0.873
  183    HG2  ARG  27           HG2      ARG  27   9.024  -2.789   1.604
  184    HG3  ARG  27           HG1      ARG  27  10.402  -1.785   1.171
  185    HD2  ARG  27           HD2      ARG  27   8.347  -0.918   3.172
  186    HD3  ARG  27           HD1      ARG  27   9.753  -1.877   3.632
  187    HE   ARG  27           HE       ARG  27  10.691   0.304   2.191
  188   HH11  ARG  27          HH11      ARG  27   8.915  -0.263   5.148
  189   HH12  ARG  27          HH12      ARG  27   9.601   1.095   5.977
  190   HH21  ARG  27          HH21      ARG  27  11.611   2.094   3.292
  191   HH22  ARG  27          HH22      ARG  27  11.126   2.448   4.915
  192    H    SER  28           HN       SER  28   6.379  -2.517  -0.920
  193    HA   SER  28           HA       SER  28   5.429  -0.830  -3.123
  194    HB2  SER  28           HB2      SER  28   4.607  -3.504  -1.999
  195    HB3  SER  28           HB1      SER  28   3.490  -2.578  -3.005
  196    HG   SER  28           HG       SER  28   6.116  -3.406  -3.722
  197    H    CYS  29           HN       CYS  29   3.713   0.547  -2.833
  198    HA   CYS  29           HA       CYS  29   2.934   1.061  -0.084
  199    HB2  CYS  29           HB2      CYS  29   3.142   2.641  -2.526
  200    HB3  CYS  29           HB1      CYS  29   1.646   2.928  -1.661
  201    H    CYS  30           HN       CYS  30   1.085   0.439   0.737
  202    HA   CYS  30           HA       CYS  30  -1.006  -0.511  -1.092
  203    HB2  CYS  30           HB2      CYS  30  -0.564  -1.467   1.725
  204    HB3  CYS  30           HB1      CYS  30  -1.449  -2.253   0.418
  205    H    ALA  31           HN       ALA  31  -3.029  -0.035  -0.693
  206    HA   ALA  31           HA       ALA  31  -3.733   1.713   1.537
  207    HB1  ALA  31           HB1      ALA  31  -3.948   2.279  -1.372
  208    HB2  ALA  31           HB2      ALA  31  -3.595   3.370  -0.040
  209    HB3  ALA  31           HB3      ALA  31  -5.249   2.826  -0.323
  210    H    TRP  32           HN       TRP  32  -6.292   1.832   1.496
  211    HA   TRP  32           HA       TRP  32  -7.103  -0.925   1.393
  212    HB2  TRP  32           HB2      TRP  32  -7.976   1.530   2.752
  213    HB3  TRP  32           HB1      TRP  32  -9.206   0.295   2.483
  214    HD1  TRP  32           HD1      TRP  32  -6.116   1.075   4.569
  215    HE1  TRP  32           HE1      TRP  32  -5.862  -0.772   6.356
  216    HE3  TRP  32           HE3      TRP  32  -9.593  -2.121   2.815
  217    HZ2  TRP  32           HZ2      TRP  32  -7.024  -3.313   6.918
  218    HZ3  TRP  32           HZ3      TRP  32  -9.993  -4.262   3.998
  219    HH2  TRP  32           HH2      TRP  32  -8.727  -4.840   6.009
  220    HA   PRO  33           HA       PRO  33  -9.247  -0.905  -2.443
  221    HB2  PRO  33           HB2      PRO  33 -11.223  -2.694  -1.789
  222    HB3  PRO  33           HB1      PRO  33  -9.557  -3.140  -2.177
  223    HG2  PRO  33           HG2      PRO  33 -10.792  -2.656   0.527
  224    HG3  PRO  33           HG1      PRO  33  -9.821  -4.048  -0.014
  225    HD2  PRO  33           HD2      PRO  33  -8.652  -2.159   1.367
  226    HD3  PRO  33           HD1      PRO  33  -7.849  -2.746  -0.096
  227    H    TRP  34           HN       TRP  34 -11.021   0.107   0.407
  228    HA   TRP  34           HA       TRP  34 -13.571   0.342  -0.085
  229    HB2  TRP  34           HB2      TRP  34 -13.141   3.043   0.336
  230    HB3  TRP  34           HB1      TRP  34 -13.369   1.812   1.571
  231    HD1  TRP  34           HD1      TRP  34 -11.595   1.817   3.330
  232    HE1  TRP  34           HE1      TRP  34  -9.147   2.473   3.467
  233    HE3  TRP  34           HE3      TRP  34 -10.804   3.323  -1.495
  234    HZ2  TRP  34           HZ2      TRP  34  -7.109   3.417   1.815
  235    HZ3  TRP  34           HZ3      TRP  34  -8.562   4.066  -2.145
  236    HH2  TRP  34           HH2      TRP  34  -6.753   4.130  -0.522
  237    H    ASN  35           HN       ASN  35 -11.266   2.046  -2.079
  238    HA   ASN  35           HA       ASN  35 -13.251   2.385  -4.159
  239    HB2  ASN  35           HB2      ASN  35 -13.191   4.774  -4.216
  240    HB3  ASN  35           HB1      ASN  35 -13.489   4.317  -2.542
  241   HD21  ASN  35          HD21      ASN  35 -12.222   5.154  -1.019
  242   HD22  ASN  35          HD22      ASN  35 -10.705   5.938  -1.295
  243    H    ALA  36           HN       ALA  36 -10.531   1.231  -3.511
  244    HA   ALA  36           HA       ALA  36  -9.054   2.451  -5.748
  245    HB1  ALA  36           HB1      ALA  36  -7.478   2.843  -4.210
  246    HB2  ALA  36           HB2      ALA  36  -7.161   1.113  -4.282
  247    HB3  ALA  36           HB3      ALA  36  -8.228   1.762  -3.036
  Start of MODEL    6
    1    H1   LEU   1           HT1      LEU   1   5.448   1.860   6.755
    2    H2   LEU   1           HT2      LEU   1   6.553   2.705   7.711
    3    H3   LEU   1           HT3      LEU   1   7.040   2.059   6.229
    4    HA   LEU   1           HA       LEU   1   6.053   4.595   6.731
    5    HB2  LEU   1           HB2      LEU   1   7.748   3.792   5.052
    6    HB3  LEU   1           HB1      LEU   1   6.416   3.178   4.090
    7    HG   LEU   1           HG       LEU   1   5.516   5.522   3.986
    8   HD11  LEU   1          HD11      LEU   1   8.192   6.157   5.213
    9   HD12  LEU   1          HD12      LEU   1   6.600   6.505   5.884
   10   HD13  LEU   1          HD13      LEU   1   7.146   7.340   4.429
   11   HD21  LEU   1          HD21      LEU   1   7.106   6.252   2.280
   12   HD22  LEU   1          HD22      LEU   1   6.718   4.540   2.125
   13   HD23  LEU   1          HD23      LEU   1   8.256   5.035   2.833
   14    H    PHE   2           HN       PHE   2   4.206   5.689   6.076
   15    HA   PHE   2           HA       PHE   2   1.878   4.029   5.719
   16    HB2  PHE   2           HB2      PHE   2   1.931   6.152   7.156
   17    HB3  PHE   2           HB1      PHE   2   1.895   7.044   5.638
   18    HD1  PHE   2           HD2      PHE   2  -0.076   7.005   4.216
   19    HD2  PHE   2           HD1      PHE   2  -0.031   4.959   7.953
   20    HE1  PHE   2           HE2      PHE   2  -2.526   6.819   4.146
   21    HE2  PHE   2           HE1      PHE   2  -2.478   4.771   7.885
   22    HZ   PHE   2           HZ       PHE   2  -3.727   5.660   6.001
   23    H    CYS   3           HN       CYS   3   0.279   4.688   4.025
   24    HA   CYS   3           HA       CYS   3   1.437   5.770   1.592
   25    HB2  CYS   3           HB2      CYS   3   0.252   2.990   1.779
   26    HB3  CYS   3           HB1      CYS   3   0.578   3.826   0.264
   27    H    LYS   4           HN       LYS   4  -0.052   6.859   0.424
   28    HA   LYS   4           HA       LYS   4  -2.267   7.926   1.497
   29    HB2  LYS   4           HB2      LYS   4  -1.999   7.238  -1.432
   30    HB3  LYS   4           HB1      LYS   4  -3.009   8.506  -0.743
   31    HG2  LYS   4           HG2      LYS   4  -0.980   9.627   0.096
   32    HG3  LYS   4           HG1      LYS   4  -0.001   8.385  -0.684
   33    HD2  LYS   4           HD2      LYS   4  -1.015   9.037  -2.859
   34    HD3  LYS   4           HD1      LYS   4  -1.836  10.360  -2.030
   35    HE2  LYS   4           HE2      LYS   4   1.145   9.954  -2.212
   36    HE3  LYS   4           HE1      LYS   4   0.204  11.139  -3.112
   37    HZ1  LYS   4           HZ1      LYS   4   0.925  12.410  -1.395
   38    HZ2  LYS   4           HZ2      LYS   4   0.971  11.133  -0.291
   39    HZ3  LYS   4           HZ3      LYS   4  -0.505  11.838  -0.704
   40    H    GLY   5           HN       GLY   5  -3.319   6.322   2.726
   41    HA2  GLY   5           HA2      GLY   5  -5.699   5.486   2.398
   42    HA3  GLY   5           HA1      GLY   5  -4.976   4.451   1.182
   43    H    GLY   6           HN       GLY   6  -2.622   3.751   2.507
   44    HA2  GLY   6           HA2      GLY   6  -3.414   2.552   5.047
   45    HA3  GLY   6           HA1      GLY   6  -3.033   1.446   3.734
   46    H    SER   7           HN       SER   7  -1.049   0.627   4.013
   47    HA   SER   7           HA       SER   7   1.123   2.490   4.643
   48    HB2  SER   7           HB2      SER   7   0.913  -0.249   5.904
   49    HB3  SER   7           HB1      SER   7   2.092   1.010   6.261
   50    HG   SER   7           HG       SER   7  -0.644   1.567   6.563
   51    H    CYS   8           HN       CYS   8   3.279   1.479   4.232
   52    HA   CYS   8           HA       CYS   8   3.183   0.087   1.673
   53    HB2  CYS   8           HB2      CYS   8   4.768   1.560   1.130
   54    HB3  CYS   8           HB1      CYS   8   4.728   2.216   2.755
   55    H    HIS   9           HN       HIS   9   3.945  -1.869   1.340
   56    HA   HIS   9           HA       HIS   9   5.330  -3.274   3.521
   57    HB2  HIS   9           HB2      HIS   9   3.216  -4.490   1.730
   58    HB3  HIS   9           HB1      HIS   9   4.007  -5.247   3.103
   59    HD1  HIS   9           HD1      HIS   9   2.950  -4.901   5.377
   60    HD2  HIS   9           HD2      HIS   9   1.338  -2.468   2.427
   61    HE1  HIS   9           HE1      HIS   9   0.931  -3.809   6.423
   62    HE2  HIS   9           HE2      HIS   9   0.067  -2.230   4.666
   63    H    PHE  10           HN       PHE  10   7.037  -4.461   2.852
   64    HA   PHE  10           HA       PHE  10   7.893  -4.162   0.164
   65    HB2  PHE  10           HB2      PHE  10   9.358  -4.320   2.301
   66    HB3  PHE  10           HB1      PHE  10   9.149  -6.058   2.134
   67    HD1  PHE  10           HD1      PHE  10   9.139  -4.418  -1.008
   68    HD2  PHE  10           HD2      PHE  10  11.717  -5.913   2.020
   69    HE1  PHE  10           HE1      PHE  10  10.950  -4.457  -2.608
   70    HE2  PHE  10           HE2      PHE  10  13.566  -5.957   0.404
   71    HZ   PHE  10           HZ       PHE  10  13.192  -5.225  -1.920
   72    H    GLY  11           HN       GLY  11   7.808  -5.611  -1.503
   73    HA2  GLY  11           HA2      GLY  11   7.702  -7.827  -2.380
   74    HA3  GLY  11           HA1      GLY  11   6.862  -8.333  -0.926
   75    H    GLY  12           HN       GLY  12   4.883  -6.386  -0.789
   76    HA2  GLY  12           HA2      GLY  12   3.505  -5.875  -3.144
   77    HA3  GLY  12           HA1      GLY  12   2.985  -7.449  -2.562
   78    H    CYS  13           HN       CYS  13   1.060  -7.210  -1.668
   79    HA   CYS  13           HA       CYS  13   0.767  -5.381   0.558
   80    HB2  CYS  13           HB2      CYS  13  -0.956  -5.254  -1.913
   81    HB3  CYS  13           HB1      CYS  13  -1.354  -4.466  -0.385
   82    HA   PRO  14           HA       PRO  14  -1.556  -8.758   2.183
   83    HB2  PRO  14           HB2      PRO  14  -3.348  -6.755   3.409
   84    HB3  PRO  14           HB1      PRO  14  -2.382  -8.010   4.179
   85    HG2  PRO  14           HG2      PRO  14  -1.728  -5.398   4.317
   86    HG3  PRO  14           HG1      PRO  14  -0.514  -6.689   4.312
   87    HD2  PRO  14           HD2      PRO  14  -1.298  -4.816   2.143
   88    HD3  PRO  14           HD1      PRO  14   0.275  -5.556   2.486
   89    H    SER  15           HN       SER  15  -3.159  -9.881   1.283
   90    HA   SER  15           HA       SER  15  -4.436  -9.382  -0.961
   91    HB2  SER  15           HB2      SER  15  -5.658 -10.816   1.396
   92    HB3  SER  15           HB1      SER  15  -6.201 -10.979  -0.273
   93    HG   SER  15           HG       SER  15  -3.970 -11.655  -0.729
   94    H    HIS  16           HN       HIS  16  -5.464  -8.053   2.125
   95    HA   HIS  16           HA       HIS  16  -8.004  -7.135   1.243
   96    HB2  HIS  16           HB2      HIS  16  -6.624  -5.555   3.316
   97    HB3  HIS  16           HB1      HIS  16  -8.265  -6.180   3.285
   98    HD1  HIS  16           HD1      HIS  16  -5.293  -6.555   5.083
   99    HD2  HIS  16           HD2      HIS  16  -8.090  -9.210   3.574
  100    HE1  HIS  16           HE1      HIS  16  -4.945  -8.672   6.346
  101    HE2  HIS  16           HE2      HIS  16  -6.545 -10.323   5.326
  102    H    LEU  17           HN       LEU  17  -4.892  -5.533   1.653
  103    HA   LEU  17           HA       LEU  17  -5.802  -3.021   0.739
  104    HB2  LEU  17           HB2      LEU  17  -2.985  -4.006   1.091
  105    HB3  LEU  17           HB1      LEU  17  -3.465  -2.337   0.864
  106    HG   LEU  17           HG       LEU  17  -4.044  -4.101   3.234
  107   HD11  LEU  17          HD11      LEU  17  -1.825  -2.931   3.017
  108   HD12  LEU  17          HD12      LEU  17  -2.762  -2.563   4.464
  109   HD13  LEU  17          HD13      LEU  17  -2.717  -1.411   3.130
  110   HD21  LEU  17          HD21      LEU  17  -5.163  -2.031   4.146
  111   HD22  LEU  17          HD22      LEU  17  -6.066  -2.922   2.919
  112   HD23  LEU  17          HD23      LEU  17  -5.213  -1.435   2.488
  113    H    ILE  18           HN       ILE  18  -5.275  -1.859  -0.943
  114    HA   ILE  18           HA       ILE  18  -4.836  -3.235  -3.463
  115    HB   ILE  18           HB       ILE  18  -5.669  -0.903  -4.330
  116   HG12  ILE  18          HG12      ILE  18  -7.365   0.026  -2.637
  117   HG13  ILE  18          HG11      ILE  18  -6.460  -0.841  -1.425
  118   HG21  ILE  18          HG21      ILE  18  -7.511  -2.791  -2.890
  119   HG22  ILE  18          HG22      ILE  18  -6.897  -2.995  -4.531
  120   HG23  ILE  18          HG23      ILE  18  -7.974  -1.651  -4.150
  121   HD11  ILE  18          HD11      ILE  18  -5.958   1.654  -1.903
  122   HD12  ILE  18          HD12      ILE  18  -5.015   1.008  -3.245
  123   HD13  ILE  18          HD13      ILE  18  -4.642   0.530  -1.598
  124    H    LYS  19           HN       LYS  19  -3.163  -2.696  -4.794
  125    HA   LYS  19           HA       LYS  19  -0.892  -1.430  -3.657
  126    HB2  LYS  19           HB2      LYS  19  -0.701  -3.267  -5.261
  127    HB3  LYS  19           HB1      LYS  19  -1.455  -2.284  -6.504
  128    HG2  LYS  19           HG2      LYS  19   0.875  -2.305  -6.921
  129    HG3  LYS  19           HG1      LYS  19   0.466  -0.704  -6.308
  130    HD2  LYS  19           HD2      LYS  19   1.412  -1.162  -4.197
  131    HD3  LYS  19           HD1      LYS  19   1.501  -2.894  -4.527
  132    HE2  LYS  19           HE2      LYS  19   3.020  -0.849  -6.128
  133    HE3  LYS  19           HE1      LYS  19   3.681  -1.595  -4.678
  134    HZ1  LYS  19           HZ1      LYS  19   4.066  -3.509  -5.750
  135    HZ2  LYS  19           HZ2      LYS  19   3.951  -2.578  -7.156
  136    HZ3  LYS  19           HZ3      LYS  19   2.614  -3.454  -6.614
  137    H    VAL  20           HN       VAL  20  -1.221   0.701  -3.197
  138    HA   VAL  20           HA       VAL  20  -2.463   2.518  -5.031
  139    HB   VAL  20           HB       VAL  20  -1.089   4.160  -3.319
  140   HG11  VAL  20          HG11      VAL  20  -3.375   4.511  -3.728
  141   HG12  VAL  20          HG12      VAL  20  -3.260   4.178  -1.999
  142   HG13  VAL  20          HG13      VAL  20  -3.818   2.921  -3.107
  143   HG21  VAL  20          HG21      VAL  20  -0.189   2.306  -2.042
  144   HG22  VAL  20          HG22      VAL  20  -1.808   1.666  -1.785
  145   HG23  VAL  20          HG23      VAL  20  -1.346   3.209  -1.069
  146    H    GLY  21           HN       GLY  21   0.788   1.503  -4.331
  147    HA2  GLY  21           HA2      GLY  21   1.877   2.235  -6.755
  148    HA3  GLY  21           HA1      GLY  21   2.108   3.627  -5.707
  149    H    SER  22           HN       SER  22   4.356   3.393  -5.756
  150    HA   SER  22           HA       SER  22   5.480   0.954  -4.601
  151    HB2  SER  22           HB2      SER  22   7.676   2.207  -5.217
  152    HB3  SER  22           HB1      SER  22   6.690   1.524  -6.510
  153    HG   SER  22           HG       SER  22   6.190   3.469  -7.182
  154    H    CYS  23           HN       CYS  23   7.561   1.533  -3.218
  155    HA   CYS  23           HA       CYS  23   6.894   3.639  -1.286
  156    HB2  CYS  23           HB2      CYS  23   6.011   1.564  -0.393
  157    HB3  CYS  23           HB1      CYS  23   7.534   0.761  -0.679
  158    H    PHE  24           HN       PHE  24   9.007   3.081   0.478
  159    HA   PHE  24           HA       PHE  24  11.145   4.259  -0.906
  160    HB2  PHE  24           HB2      PHE  24  10.643   4.858   1.402
  161    HB3  PHE  24           HB1      PHE  24  10.981   3.208   1.910
  162    HD1  PHE  24           HD1      PHE  24  12.910   5.217  -0.523
  163    HD2  PHE  24           HD2      PHE  24  12.773   3.547   3.386
  164    HE1  PHE  24           HE1      PHE  24  15.271   5.817  -0.188
  165    HE2  PHE  24           HE2      PHE  24  15.133   4.145   3.730
  166    HZ   PHE  24           HZ       PHE  24  16.391   5.267   1.943
  167    H    GLY  25           HN       GLY  25  12.934   3.539  -1.608
  168    HA2  GLY  25           HA2      GLY  25  14.605   2.183  -2.196
  169    HA3  GLY  25           HA1      GLY  25  14.190   1.152  -0.858
  170    H    PHE  26           HN       PHE  26  11.691   0.263  -1.645
  171    HA   PHE  26           HA       PHE  26  11.564  -0.740  -4.278
  172    HB2  PHE  26           HB2      PHE  26  12.204  -3.159  -3.442
  173    HB3  PHE  26           HB1      PHE  26  13.454  -2.033  -3.956
  174    HD1  PHE  26           HD1      PHE  26  11.831  -1.328  -0.800
  175    HD2  PHE  26           HD2      PHE  26  15.063  -3.398  -2.627
  176    HE1  PHE  26           HE1      PHE  26  12.921  -1.592   1.393
  177    HE2  PHE  26           HE2      PHE  26  16.139  -3.686  -0.471
  178    HZ   PHE  26           HZ       PHE  26  15.108  -2.558   1.568
  179    H    ARG  27           HN       ARG  27  10.435  -0.412  -1.161
  180    HA   ARG  27           HA       ARG  27   8.664  -2.582  -0.941
  181    HB2  ARG  27           HB2      ARG  27   8.881   0.077   0.405
  182    HB3  ARG  27           HB1      ARG  27   7.484  -0.954   0.702
  183    HG2  ARG  27           HG2      ARG  27   8.904  -2.708   1.506
  184    HG3  ARG  27           HG1      ARG  27  10.336  -1.783   1.078
  185    HD2  ARG  27           HD2      ARG  27   8.287  -0.775   3.026
  186    HD3  ARG  27           HD1      ARG  27   9.659  -1.765   3.519
  187    HE   ARG  27           HE       ARG  27  10.663   0.339   2.012
  188   HH11  ARG  27          HH11      ARG  27   8.875  -0.026   4.996
  189   HH12  ARG  27          HH12      ARG  27   9.698   1.275   5.796
  190   HH21  ARG  27          HH21      ARG  27  11.755   2.044   3.072
  191   HH22  ARG  27          HH22      ARG  27  11.316   2.463   4.695
  192    H    SER  28           HN       SER  28   6.351  -2.487  -0.925
  193    HA   SER  28           HA       SER  28   5.342  -0.928  -3.190
  194    HB2  SER  28           HB2      SER  28   4.453  -3.509  -1.887
  195    HB3  SER  28           HB1      SER  28   3.469  -2.664  -3.086
  196    HG   SER  28           HG       SER  28   5.898  -4.031  -3.374
  197    H    CYS  29           HN       CYS  29   3.617   0.449  -2.909
  198    HA   CYS  29           HA       CYS  29   2.938   1.054  -0.146
  199    HB2  CYS  29           HB2      CYS  29   3.164   2.588  -2.581
  200    HB3  CYS  29           HB1      CYS  29   1.592   2.845  -1.841
  201    H    CYS  30           HN       CYS  30   1.109   0.445   0.757
  202    HA   CYS  30           HA       CYS  30  -1.018  -0.586  -0.980
  203    HB2  CYS  30           HB2      CYS  30  -0.460  -1.463   1.843
  204    HB3  CYS  30           HB1      CYS  30  -1.390  -2.291   0.594
  205    H    ALA  31           HN       ALA  31  -2.992  -0.034  -0.628
  206    HA   ALA  31           HA       ALA  31  -3.716   1.650   1.648
  207    HB1  ALA  31           HB1      ALA  31  -3.575   3.373   0.155
  208    HB2  ALA  31           HB2      ALA  31  -5.201   2.811  -0.228
  209    HB3  ALA  31           HB3      ALA  31  -3.844   2.330  -1.236
  210    H    TRP  32           HN       TRP  32  -6.260   1.805   1.570
  211    HA   TRP  32           HA       TRP  32  -7.108  -0.927   1.377
  212    HB2  TRP  32           HB2      TRP  32  -8.021   1.523   2.722
  213    HB3  TRP  32           HB1      TRP  32  -9.247   0.293   2.396
  214    HD1  TRP  32           HD1      TRP  32  -6.251   1.047   4.619
  215    HE1  TRP  32           HE1      TRP  32  -6.030  -0.849   6.362
  216    HE3  TRP  32           HE3      TRP  32  -9.625  -2.141   2.659
  217    HZ2  TRP  32           HZ2      TRP  32  -7.182  -3.414   6.815
  218    HZ3  TRP  32           HZ3      TRP  32 -10.041  -4.321   3.771
  219    HH2  TRP  32           HH2      TRP  32  -8.832  -4.936   5.807
  220    HA   PRO  33           HA       PRO  33  -9.003  -0.994  -2.570
  221    HB2  PRO  33           HB2      PRO  33 -11.213  -2.526  -1.868
  222    HB3  PRO  33           HB1      PRO  33  -9.628  -3.138  -2.349
  223    HG2  PRO  33           HG2      PRO  33 -10.738  -2.685   0.393
  224    HG3  PRO  33           HG1      PRO  33  -9.758  -4.034  -0.209
  225    HD2  PRO  33           HD2      PRO  33  -8.618  -2.162   1.247
  226    HD3  PRO  33           HD1      PRO  33  -7.790  -2.752  -0.200
  227    H    TRP  34           HN       TRP  34 -11.080   0.100   0.087
  228    HA   TRP  34           HA       TRP  34 -13.479   0.566  -0.739
  229    HB2  TRP  34           HB2      TRP  34 -12.987   3.205  -0.165
  230    HB3  TRP  34           HB1      TRP  34 -13.339   1.944   1.010
  231    HD1  TRP  34           HD1      TRP  34 -11.679   1.810   2.892
  232    HE1  TRP  34           HE1      TRP  34  -9.234   2.402   3.232
  233    HE3  TRP  34           HE3      TRP  34 -10.545   3.541  -1.780
  234    HZ2  TRP  34           HZ2      TRP  34  -7.069   3.378   1.746
  235    HZ3  TRP  34           HZ3      TRP  34  -8.259   4.243  -2.258
  236    HH2  TRP  34           HH2      TRP  34  -6.565   4.191  -0.534
  237    H    ASN  35           HN       ASN  35 -10.833   2.219  -2.364
  238    HA   ASN  35           HA       ASN  35 -12.475   2.688  -4.703
  239    HB2  ASN  35           HB2      ASN  35 -11.079   5.120  -3.741
  240    HB3  ASN  35           HB1      ASN  35 -12.598   4.984  -4.617
  241   HD21  ASN  35          HD21      ASN  35 -11.076   5.425  -1.629
  242   HD22  ASN  35          HD22      ASN  35 -12.489   5.464  -0.635
  243    H    ALA  36           HN       ALA  36 -10.180   1.099  -4.235
  244    HA   ALA  36           HA       ALA  36  -8.320   2.410  -6.060
  245    HB1  ALA  36           HB1      ALA  36  -7.799   1.868  -3.235
  246    HB2  ALA  36           HB2      ALA  36  -6.975   2.951  -4.357
  247    HB3  ALA  36           HB3      ALA  36  -6.569   1.237  -4.332
  Start of MODEL    7
    1    H1   LEU   1           HT1      LEU   1   6.914   2.595   6.809
    2    H2   LEU   1           HT2      LEU   1   5.635   1.882   5.977
    3    H3   LEU   1           HT3      LEU   1   5.358   2.631   7.460
    4    HA   LEU   1           HA       LEU   1   5.824   4.771   6.569
    5    HB2  LEU   1           HB2      LEU   1   7.580   3.915   5.002
    6    HB3  LEU   1           HB1      LEU   1   6.297   3.310   3.963
    7    HG   LEU   1           HG       LEU   1   5.456   5.659   3.749
    8   HD11  LEU   1          HD11      LEU   1   7.158   7.445   4.277
    9   HD12  LEU   1          HD12      LEU   1   7.978   6.245   5.275
   10   HD13  LEU   1          HD13      LEU   1   6.327   6.733   5.660
   11   HD21  LEU   1          HD21      LEU   1   6.769   4.678   1.993
   12   HD22  LEU   1          HD22      LEU   1   8.265   5.095   2.830
   13   HD23  LEU   1          HD23      LEU   1   7.223   6.368   2.196
   14    H    PHE   2           HN       PHE   2   4.073   5.956   5.816
   15    HA   PHE   2           HA       PHE   2   1.689   4.424   5.359
   16    HB2  PHE   2           HB2      PHE   2   1.750   6.579   6.717
   17    HB3  PHE   2           HB1      PHE   2   1.898   7.423   5.176
   18    HD1  PHE   2           HD2      PHE   2   0.047   7.514   3.618
   19    HD2  PHE   2           HD1      PHE   2  -0.348   5.501   7.349
   20    HE1  PHE   2           HE2      PHE   2  -2.394   7.469   3.340
   21    HE2  PHE   2           HE1      PHE   2  -2.783   5.450   7.071
   22    HZ   PHE   2           HZ       PHE   2  -3.817   6.452   5.098
   23    H    CYS   3           HN       CYS   3   0.232   4.979   3.625
   24    HA   CYS   3           HA       CYS   3   1.361   6.030   1.187
   25    HB2  CYS   3           HB2      CYS   3   0.361   3.177   1.389
   26    HB3  CYS   3           HB1      CYS   3   0.770   4.003  -0.111
   27    H    LYS   4           HN       LYS   4  -0.221   6.947  -0.037
   28    HA   LYS   4           HA       LYS   4  -2.465   7.951   0.924
   29    HB2  LYS   4           HB2      LYS   4  -2.109   6.887  -1.869
   30    HB3  LYS   4           HB1      LYS   4  -3.447   7.914  -1.381
   31    HG2  LYS   4           HG2      LYS   4  -1.853   9.673  -0.764
   32    HG3  LYS   4           HG1      LYS   4  -0.528   8.643  -1.314
   33    HD2  LYS   4           HD2      LYS   4  -1.388   8.653  -3.561
   34    HD3  LYS   4           HD1      LYS   4  -2.835   9.518  -3.048
   35    HE2  LYS   4           HE2      LYS   4  -1.417  11.431  -2.400
   36    HE3  LYS   4           HE1      LYS   4  -0.010  10.564  -3.014
   37    HZ1  LYS   4           HZ1      LYS   4  -1.037  12.214  -4.568
   38    HZ2  LYS   4           HZ2      LYS   4  -2.372  11.182  -4.691
   39    HZ3  LYS   4           HZ3      LYS   4  -0.847  10.659  -5.198
   40    H    GLY   5           HN       GLY   5  -3.300   6.361   2.446
   41    HA2  GLY   5           HA2      GLY   5  -5.693   5.477   2.329
   42    HA3  GLY   5           HA1      GLY   5  -5.010   4.344   1.185
   43    H    GLY   6           HN       GLY   6  -2.604   3.730   2.446
   44    HA2  GLY   6           HA2      GLY   6  -3.289   2.823   5.130
   45    HA3  GLY   6           HA1      GLY   6  -3.053   1.569   3.924
   46    H    SER   7           HN       SER   7  -1.192   0.635   4.544
   47    HA   SER   7           HA       SER   7   1.129   2.398   4.918
   48    HB2  SER   7           HB2      SER   7   0.888  -0.398   6.026
   49    HB3  SER   7           HB1      SER   7   2.024   0.866   6.488
   50    HG   SER   7           HG       SER   7  -0.616   1.584   6.759
   51    H    CYS   8           HN       CYS   8   3.208   1.453   4.320
   52    HA   CYS   8           HA       CYS   8   3.002   0.049   1.767
   53    HB2  CYS   8           HB2      CYS   8   4.600   1.469   1.112
   54    HB3  CYS   8           HB1      CYS   8   4.470   2.261   2.666
   55    H    HIS   9           HN       HIS   9   3.945  -1.869   1.363
   56    HA   HIS   9           HA       HIS   9   5.378  -3.204   3.554
   57    HB2  HIS   9           HB2      HIS   9   3.288  -4.546   1.832
   58    HB3  HIS   9           HB1      HIS   9   4.102  -5.213   3.237
   59    HD1  HIS   9           HD1      HIS   9   3.008  -4.818   5.493
   60    HD2  HIS   9           HD2      HIS   9   1.336  -2.550   2.448
   61    HE1  HIS   9           HE1      HIS   9   0.895  -3.849   6.453
   62    HE2  HIS   9           HE2      HIS   9   0.022  -2.308   4.661
   63    H    PHE  10           HN       PHE  10   7.139  -4.271   2.880
   64    HA   PHE  10           HA       PHE  10   7.963  -4.052   0.176
   65    HB2  PHE  10           HB2      PHE  10   9.388  -4.150   2.395
   66    HB3  PHE  10           HB1      PHE  10   9.324  -5.882   2.118
   67    HD1  PHE  10           HD1      PHE  10   9.221  -4.374  -1.014
   68    HD2  PHE  10           HD2      PHE  10  11.899  -5.209   2.173
   69    HE1  PHE  10           HE1      PHE  10  11.082  -4.166  -2.556
   70    HE2  PHE  10           HE2      PHE  10  13.796  -5.007   0.624
   71    HZ   PHE  10           HZ       PHE  10  13.395  -4.483  -1.751
   72    H    GLY  11           HN       GLY  11   7.840  -5.525  -1.449
   73    HA2  GLY  11           HA2      GLY  11   7.881  -7.799  -2.227
   74    HA3  GLY  11           HA1      GLY  11   7.023  -8.275  -0.773
   75    H    GLY  12           HN       GLY  12   4.957  -6.504  -0.699
   76    HA2  GLY  12           HA2      GLY  12   3.617  -6.040  -3.098
   77    HA3  GLY  12           HA1      GLY  12   3.130  -7.619  -2.495
   78    H    CYS  13           HN       CYS  13   1.075  -7.196  -1.863
   79    HA   CYS  13           HA       CYS  13   0.778  -5.479   0.472
   80    HB2  CYS  13           HB2      CYS  13  -0.847  -5.196  -2.047
   81    HB3  CYS  13           HB1      CYS  13  -1.278  -4.452  -0.504
   82    HA   PRO  14           HA       PRO  14  -1.624  -8.908   1.897
   83    HB2  PRO  14           HB2      PRO  14  -3.243  -6.839   3.271
   84    HB3  PRO  14           HB1      PRO  14  -2.420  -8.243   3.944
   85    HG2  PRO  14           HG2      PRO  14  -1.488  -5.747   4.283
   86    HG3  PRO  14           HG1      PRO  14  -0.413  -7.149   4.138
   87    HD2  PRO  14           HD2      PRO  14  -1.018  -5.011   2.168
   88    HD3  PRO  14           HD1      PRO  14   0.465  -5.958   2.394
   89    H    SER  15           HN       SER  15  -3.294  -9.877   0.928
   90    HA   SER  15           HA       SER  15  -4.604  -9.103  -1.229
   91    HB2  SER  15           HB2      SER  15  -4.813 -11.348  -0.249
   92    HB3  SER  15           HB1      SER  15  -5.900 -10.706   0.979
   93    HG   SER  15           HG       SER  15  -7.210  -9.988  -0.914
   94    H    HIS  16           HN       HIS  16  -5.505  -8.111   2.024
   95    HA   HIS  16           HA       HIS  16  -8.031  -7.036   1.407
   96    HB2  HIS  16           HB2      HIS  16  -6.394  -5.551   3.365
   97    HB3  HIS  16           HB1      HIS  16  -8.057  -6.105   3.484
   98    HD1  HIS  16           HD1      HIS  16  -5.025  -6.627   5.083
   99    HD2  HIS  16           HD2      HIS  16  -7.915  -9.196   3.584
  100    HE1  HIS  16           HE1      HIS  16  -4.659  -8.798   6.248
  101    HE2  HIS  16           HE2      HIS  16  -6.357 -10.378   5.275
  102    H    LEU  17           HN       LEU  17  -4.843  -5.568   1.560
  103    HA   LEU  17           HA       LEU  17  -5.765  -3.021   0.723
  104    HB2  LEU  17           HB2      LEU  17  -2.952  -4.044   1.003
  105    HB3  LEU  17           HB1      LEU  17  -3.418  -2.368   0.794
  106    HG   LEU  17           HG       LEU  17  -3.970  -4.137   3.167
  107   HD11  LEU  17          HD11      LEU  17  -1.765  -2.781   2.724
  108   HD12  LEU  17          HD12      LEU  17  -2.493  -2.861   4.325
  109   HD13  LEU  17          HD13      LEU  17  -2.748  -1.438   3.311
  110   HD21  LEU  17          HD21      LEU  17  -5.098  -1.416   2.523
  111   HD22  LEU  17          HD22      LEU  17  -5.121  -2.145   4.126
  112   HD23  LEU  17          HD23      LEU  17  -5.995  -2.911   2.803
  113    H    ILE  18           HN       ILE  18  -5.074  -1.846  -0.957
  114    HA   ILE  18           HA       ILE  18  -4.796  -3.261  -3.487
  115    HB   ILE  18           HB       ILE  18  -5.679  -0.909  -4.304
  116   HG12  ILE  18          HG12      ILE  18  -7.377  -0.093  -2.541
  117   HG13  ILE  18          HG11      ILE  18  -6.403  -0.958  -1.380
  118   HG21  ILE  18          HG21      ILE  18  -6.908  -2.930  -4.635
  119   HG22  ILE  18          HG22      ILE  18  -8.005  -1.715  -3.977
  120   HG23  ILE  18          HG23      ILE  18  -7.366  -2.985  -2.934
  121   HD11  ILE  18          HD11      ILE  18  -6.007   1.561  -1.772
  122   HD12  ILE  18          HD12      ILE  18  -5.116   1.019  -3.194
  123   HD13  ILE  18          HD13      ILE  18  -4.628   0.482  -1.593
  124    H    LYS  19           HN       LYS  19  -3.079  -2.811  -4.771
  125    HA   LYS  19           HA       LYS  19  -0.855  -1.419  -3.699
  126    HB2  LYS  19           HB2      LYS  19  -0.600  -3.329  -5.216
  127    HB3  LYS  19           HB1      LYS  19  -1.364  -2.421  -6.508
  128    HG2  LYS  19           HG2      LYS  19   0.887  -2.261  -7.008
  129    HG3  LYS  19           HG1      LYS  19   0.555  -0.741  -6.182
  130    HD2  LYS  19           HD2      LYS  19   1.561  -1.519  -4.174
  131    HD3  LYS  19           HD1      LYS  19   1.659  -3.172  -4.788
  132    HE2  LYS  19           HE2      LYS  19   3.114  -0.810  -5.972
  133    HE3  LYS  19           HE1      LYS  19   3.829  -1.961  -4.853
  134    HZ1  LYS  19           HZ1      LYS  19   4.436  -2.648  -7.001
  135    HZ2  LYS  19           HZ2      LYS  19   2.871  -2.466  -7.604
  136    HZ3  LYS  19           HZ3      LYS  19   3.218  -3.715  -6.521
  137    H    VAL  20           HN       VAL  20  -1.370   0.709  -3.323
  138    HA   VAL  20           HA       VAL  20  -2.600   2.393  -5.275
  139    HB   VAL  20           HB       VAL  20  -1.403   4.192  -3.636
  140   HG11  VAL  20          HG11      VAL  20  -3.953   2.657  -3.190
  141   HG12  VAL  20          HG12      VAL  20  -3.749   4.181  -4.049
  142   HG13  VAL  20          HG13      VAL  20  -3.519   4.117  -2.302
  143   HG21  VAL  20          HG21      VAL  20  -1.420   3.360  -1.352
  144   HG22  VAL  20          HG22      VAL  20  -0.287   2.427  -2.329
  145   HG23  VAL  20          HG23      VAL  20  -1.861   1.750  -1.920
  146    H    GLY  21           HN       GLY  21   0.616   1.457  -4.485
  147    HA2  GLY  21           HA2      GLY  21   1.785   2.112  -6.886
  148    HA3  GLY  21           HA1      GLY  21   1.996   3.535  -5.867
  149    H    SER  22           HN       SER  22   4.298   3.144  -5.933
  150    HA   SER  22           HA       SER  22   5.188   0.761  -4.502
  151    HB2  SER  22           HB2      SER  22   6.355   1.462  -6.619
  152    HB3  SER  22           HB1      SER  22   6.918   2.896  -5.763
  153    HG   SER  22           HG       SER  22   8.515   1.603  -5.264
  154    H    CYS  23           HN       CYS  23   7.257   1.399  -3.094
  155    HA   CYS  23           HA       CYS  23   6.420   3.559  -1.277
  156    HB2  CYS  23           HB2      CYS  23   5.889   1.379  -0.328
  157    HB3  CYS  23           HB1      CYS  23   7.524   0.840  -0.615
  158    H    PHE  24           HN       PHE  24   8.577   3.396   0.445
  159    HA   PHE  24           HA       PHE  24  10.543   4.805  -0.991
  160    HB2  PHE  24           HB2      PHE  24   9.918   5.410   1.291
  161    HB3  PHE  24           HB1      PHE  24  10.488   3.850   1.867
  162    HD1  PHE  24           HD1      PHE  24  11.885   6.486  -0.361
  163    HD2  PHE  24           HD2      PHE  24  12.417   4.044   3.072
  164    HE1  PHE  24           HE1      PHE  24  14.130   7.434  -0.045
  165    HE2  PHE  24           HE2      PHE  24  14.666   4.987   3.402
  166    HZ   PHE  24           HZ       PHE  24  15.513   6.699   1.868
  167    H    GLY  25           HN       GLY  25  12.384   4.229  -1.729
  168    HA2  GLY  25           HA2      GLY  25  14.215   3.038  -2.223
  169    HA3  GLY  25           HA1      GLY  25  13.935   2.080  -0.799
  170    H    PHE  26           HN       PHE  26  11.491   0.865  -1.542
  171    HA   PHE  26           HA       PHE  26  11.555  -0.338  -4.088
  172    HB2  PHE  26           HB2      PHE  26  12.428  -2.616  -3.039
  173    HB3  PHE  26           HB1      PHE  26  13.539  -1.415  -3.682
  174    HD1  PHE  26           HD1      PHE  26  11.888  -0.607  -0.568
  175    HD2  PHE  26           HD2      PHE  26  15.315  -2.463  -2.269
  176    HE1  PHE  26           HE1      PHE  26  13.019  -0.548   1.615
  177    HE2  PHE  26           HE2      PHE  26  16.438  -2.432  -0.113
  178    HZ   PHE  26           HZ       PHE  26  15.343  -1.258   1.815
  179    H    ARG  27           HN       ARG  27  10.400  -0.133  -0.898
  180    HA   ARG  27           HA       ARG  27   8.807  -2.445  -0.769
  181    HB2  ARG  27           HB2      ARG  27   8.726   0.218   0.606
  182    HB3  ARG  27           HB1      ARG  27   7.453  -0.969   0.874
  183    HG2  ARG  27           HG2      ARG  27   8.972  -2.507   1.793
  184    HG3  ARG  27           HG1      ARG  27  10.354  -1.569   1.240
  185    HD2  ARG  27           HD2      ARG  27   8.347  -0.536   3.217
  186    HD3  ARG  27           HD1      ARG  27   9.819  -1.386   3.690
  187    HE   ARG  27           HE       ARG  27  10.551   0.665   1.962
  188   HH11  ARG  27          HH11      ARG  27   9.092   0.347   5.118
  189   HH12  ARG  27          HH12      ARG  27   9.797   1.805   5.732
  190   HH21  ARG  27          HH21      ARG  27  11.502   2.569   2.773
  191   HH22  ARG  27          HH22      ARG  27  11.149   3.084   4.390
  192    H    SER  28           HN       SER  28   6.386  -2.370  -0.740
  193    HA   SER  28           HA       SER  28   5.468  -0.854  -3.079
  194    HB2  SER  28           HB2      SER  28   4.542  -3.458  -1.850
  195    HB3  SER  28           HB1      SER  28   3.627  -2.613  -3.106
  196    HG   SER  28           HG       SER  28   5.817  -2.670  -4.233
  197    H    CYS  29           HN       CYS  29   3.654   0.426  -2.911
  198    HA   CYS  29           HA       CYS  29   2.910   1.097  -0.182
  199    HB2  CYS  29           HB2      CYS  29   2.955   2.509  -2.751
  200    HB3  CYS  29           HB1      CYS  29   1.527   2.835  -1.785
  201    H    CYS  30           HN       CYS  30   1.119   0.449   0.726
  202    HA   CYS  30           HA       CYS  30  -0.996  -0.655  -0.979
  203    HB2  CYS  30           HB2      CYS  30  -0.407  -1.517   1.841
  204    HB3  CYS  30           HB1      CYS  30  -1.317  -2.367   0.596
  205    H    ALA  31           HN       ALA  31  -2.971  -0.101  -0.608
  206    HA   ALA  31           HA       ALA  31  -3.660   1.564   1.689
  207    HB1  ALA  31           HB1      ALA  31  -3.772   2.296  -1.180
  208    HB2  ALA  31           HB2      ALA  31  -3.490   3.306   0.233
  209    HB3  ALA  31           HB3      ALA  31  -5.126   2.780  -0.167
  210    H    TRP  32           HN       TRP  32  -6.204   1.765   1.610
  211    HA   TRP  32           HA       TRP  32  -7.099  -0.954   1.401
  212    HB2  TRP  32           HB2      TRP  32  -7.958   1.506   2.768
  213    HB3  TRP  32           HB1      TRP  32  -9.186   0.269   2.486
  214    HD1  TRP  32           HD1      TRP  32  -6.096   1.040   4.588
  215    HE1  TRP  32           HE1      TRP  32  -5.823  -0.831   6.352
  216    HE3  TRP  32           HE3      TRP  32  -9.577  -2.137   2.821
  217    HZ2  TRP  32           HZ2      TRP  32  -6.989  -3.369   6.894
  218    HZ3  TRP  32           HZ3      TRP  32  -9.977  -4.293   3.982
  219    HH2  TRP  32           HH2      TRP  32  -8.697  -4.889   5.982
  220    HA   PRO  33           HA       PRO  33  -9.101  -0.882  -2.501
  221    HB2  PRO  33           HB2      PRO  33 -11.276  -2.451  -1.854
  222    HB3  PRO  33           HB1      PRO  33  -9.669  -3.047  -2.285
  223    HG2  PRO  33           HG2      PRO  33 -10.854  -2.577   0.428
  224    HG3  PRO  33           HG1      PRO  33  -9.903  -3.961  -0.149
  225    HD2  PRO  33           HD2      PRO  33  -8.744  -2.113   1.323
  226    HD3  PRO  33           HD1      PRO  33  -7.898  -2.735  -0.098
  227    H    TRP  34           HN       TRP  34 -11.033   0.260   0.220
  228    HA   TRP  34           HA       TRP  34 -13.487   0.721  -0.521
  229    HB2  TRP  34           HB2      TRP  34 -12.924   3.353   0.039
  230    HB3  TRP  34           HB1      TRP  34 -13.272   2.099   1.222
  231    HD1  TRP  34           HD1      TRP  34 -11.555   1.926   3.056
  232    HE1  TRP  34           HE1      TRP  34  -9.085   2.446   3.308
  233    HE3  TRP  34           HE3      TRP  34 -10.537   3.605  -1.659
  234    HZ2  TRP  34           HZ2      TRP  34  -6.944   3.347   1.739
  235    HZ3  TRP  34           HZ3      TRP  34  -8.249   4.233  -2.225
  236    HH2  TRP  34           HH2      TRP  34  -6.495   4.132  -0.567
  237    H    ASN  35           HN       ASN  35 -10.858   2.276  -2.241
  238    HA   ASN  35           HA       ASN  35 -12.607   2.859  -4.494
  239    HB2  ASN  35           HB2      ASN  35 -10.916   5.141  -3.583
  240    HB3  ASN  35           HB1      ASN  35 -12.437   5.169  -4.465
  241   HD21  ASN  35          HD21      ASN  35 -10.917   5.599  -1.508
  242   HD22  ASN  35          HD22      ASN  35 -12.324   5.727  -0.513
  243    H    ALA  36           HN       ALA  36 -10.313   1.155  -3.907
  244    HA   ALA  36           HA       ALA  36  -8.517   2.165  -5.981
  245    HB1  ALA  36           HB1      ALA  36  -7.856   1.686  -3.163
  246    HB2  ALA  36           HB2      ALA  36  -7.052   2.694  -4.366
  247    HB3  ALA  36           HB3      ALA  36  -6.744   0.960  -4.326
  Start of MODEL    8
    1    H1   LEU   1           HT1      LEU   1   5.155   2.239   7.174
    2    H2   LEU   1           HT2      LEU   1   6.539   3.021   7.740
    3    H3   LEU   1           HT3      LEU   1   6.596   2.140   6.303
    4    HA   LEU   1           HA       LEU   1   5.800   4.839   6.752
    5    HB2  LEU   1           HB2      LEU   1   7.530   3.948   5.165
    6    HB3  LEU   1           HB1      LEU   1   6.230   3.248   4.220
    7    HG   LEU   1           HG       LEU   1   5.317   5.633   4.019
    8   HD11  LEU   1          HD11      LEU   1   6.891   7.434   4.285
    9   HD12  LEU   1          HD12      LEU   1   8.145   6.308   4.805
   10   HD13  LEU   1          HD13      LEU   1   6.724   6.577   5.817
   11   HD21  LEU   1          HD21      LEU   1   7.758   4.550   2.689
   12   HD22  LEU   1          HD22      LEU   1   7.175   6.162   2.276
   13   HD23  LEU   1          HD23      LEU   1   6.128   4.764   2.052
   14    H    PHE   2           HN       PHE   2   3.950   5.880   6.030
   15    HA   PHE   2           HA       PHE   2   1.650   4.164   5.689
   16    HB2  PHE   2           HB2      PHE   2   1.683   6.284   7.164
   17    HB3  PHE   2           HB1      PHE   2   1.550   7.169   5.646
   18    HD1  PHE   2           HD2      PHE   2  -0.450   6.927   4.235
   19    HD2  PHE   2           HD1      PHE   2  -0.209   5.109   8.081
   20    HE1  PHE   2           HE2      PHE   2  -2.890   6.623   4.248
   21    HE2  PHE   2           HE1      PHE   2  -2.646   4.806   8.098
   22    HZ   PHE   2           HZ       PHE   2  -3.986   5.527   6.200
   23    H    CYS   3           HN       CYS   3   0.081   4.634   4.011
   24    HA   CYS   3           HA       CYS   3   1.189   5.784   1.555
   25    HB2  CYS   3           HB2      CYS   3  -0.063   3.048   1.839
   26    HB3  CYS   3           HB1      CYS   3   0.150   3.858   0.291
   27    H    LYS   4           HN       LYS   4  -0.372   6.746   0.241
   28    HA   LYS   4           HA       LYS   4  -2.581   7.883   1.405
   29    HB2  LYS   4           HB2      LYS   4  -2.229   7.167  -1.509
   30    HB3  LYS   4           HB1      LYS   4  -3.419   8.296  -0.878
   31    HG2  LYS   4           HG2      LYS   4  -1.686   9.788  -0.138
   32    HG3  LYS   4           HG1      LYS   4  -0.443   8.629  -0.606
   33    HD2  LYS   4           HD2      LYS   4  -0.659  10.381  -2.284
   34    HD3  LYS   4           HD1      LYS   4  -1.150   8.822  -2.946
   35    HE2  LYS   4           HE2      LYS   4  -3.516   9.444  -2.482
   36    HE3  LYS   4           HE1      LYS   4  -2.954  11.038  -1.985
   37    HZ1  LYS   4           HZ1      LYS   4  -3.584  11.279  -4.200
   38    HZ2  LYS   4           HZ2      LYS   4  -2.879   9.820  -4.671
   39    HZ3  LYS   4           HZ3      LYS   4  -1.902  11.139  -4.279
   40    H    GLY   5           HN       GLY   5  -3.510   6.119   2.649
   41    HA2  GLY   5           HA2      GLY   5  -5.876   5.221   2.329
   42    HA3  GLY   5           HA1      GLY   5  -5.148   4.299   1.029
   43    H    GLY   6           HN       GLY   6  -2.668   3.885   2.586
   44    HA2  GLY   6           HA2      GLY   6  -3.488   2.337   4.886
   45    HA3  GLY   6           HA1      GLY   6  -2.970   1.379   3.509
   46    H    SER   7           HN       SER   7  -0.943   0.731   3.675
   47    HA   SER   7           HA       SER   7   1.114   2.599   4.527
   48    HB2  SER   7           HB2      SER   7   0.937  -0.103   5.844
   49    HB3  SER   7           HB1      SER   7   1.919   1.283   6.319
   50    HG   SER   7           HG       SER   7  -0.333   2.313   6.517
   51    H    CYS   8           HN       CYS   8   3.312   1.434   4.408
   52    HA   CYS   8           HA       CYS   8   3.438   0.127   1.808
   53    HB2  CYS   8           HB2      CYS   8   5.542   1.345   3.600
   54    HB3  CYS   8           HB1      CYS   8   5.906   0.544   2.076
   55    H    HIS   9           HN       HIS   9   4.341  -1.839   1.444
   56    HA   HIS   9           HA       HIS   9   5.369  -3.393   3.694
   57    HB2  HIS   9           HB2      HIS   9   3.228  -4.450   1.840
   58    HB3  HIS   9           HB1      HIS   9   3.924  -5.258   3.230
   59    HD1  HIS   9           HD1      HIS   9   2.837  -4.808   5.491
   60    HD2  HIS   9           HD2      HIS   9   1.467  -2.333   2.462
   61    HE1  HIS   9           HE1      HIS   9   0.824  -3.633   6.441
   62    HE2  HIS   9           HE2      HIS   9   0.169  -1.966   4.672
   63    H    PHE  10           HN       PHE  10   7.226  -4.288   2.998
   64    HA   PHE  10           HA       PHE  10   7.927  -4.243   0.272
   65    HB2  PHE  10           HB2      PHE  10   9.574  -4.125   2.175
   66    HB3  PHE  10           HB1      PHE  10   9.279  -5.838   2.456
   67    HD1  PHE  10           HD1      PHE  10   9.213  -4.607  -0.963
   68    HD2  PHE  10           HD2      PHE  10  11.644  -6.280   2.096
   69    HE1  PHE  10           HE1      PHE  10  10.935  -5.173  -2.625
   70    HE2  PHE  10           HE2      PHE  10  13.353  -6.824   0.475
   71    HZ   PHE  10           HZ       PHE  10  12.894  -6.306  -2.021
   72    H    GLY  11           HN       GLY  11   7.849  -5.831  -1.266
   73    HA2  GLY  11           HA2      GLY  11   7.788  -8.156  -1.891
   74    HA3  GLY  11           HA1      GLY  11   6.863  -8.482  -0.436
   75    H    GLY  12           HN       GLY  12   4.959  -6.509  -0.556
   76    HA2  GLY  12           HA2      GLY  12   3.680  -6.052  -2.951
   77    HA3  GLY  12           HA1      GLY  12   3.106  -7.615  -2.378
   78    H    CYS  13           HN       CYS  13   1.097  -7.215  -1.666
   79    HA   CYS  13           HA       CYS  13   0.828  -5.432   0.614
   80    HB2  CYS  13           HB2      CYS  13  -0.841  -5.200  -1.884
   81    HB3  CYS  13           HB1      CYS  13  -1.228  -4.420  -0.348
   82    HA   PRO  14           HA       PRO  14  -1.607  -8.726   2.226
   83    HB2  PRO  14           HB2      PRO  14  -3.389  -6.566   3.216
   84    HB3  PRO  14           HB1      PRO  14  -2.638  -7.888   4.108
   85    HG2  PRO  14           HG2      PRO  14  -1.735  -5.373   4.294
   86    HG3  PRO  14           HG1      PRO  14  -0.639  -6.764   4.344
   87    HD2  PRO  14           HD2      PRO  14  -1.122  -4.810   2.160
   88    HD3  PRO  14           HD1      PRO  14   0.353  -5.710   2.571
   89    H    SER  15           HN       SER  15  -3.141  -9.876   1.239
   90    HA   SER  15           HA       SER  15  -4.320  -9.415  -1.078
   91    HB2  SER  15           HB2      SER  15  -6.278 -10.906  -0.126
   92    HB3  SER  15           HB1      SER  15  -4.653 -11.562  -0.324
   93    HG   SER  15           HG       SER  15  -4.284 -11.313   1.841
   94    H    HIS  16           HN       HIS  16  -5.374  -7.978   1.889
   95    HA   HIS  16           HA       HIS  16  -7.936  -7.147   0.900
   96    HB2  HIS  16           HB2      HIS  16  -6.786  -5.652   3.155
   97    HB3  HIS  16           HB1      HIS  16  -8.363  -6.413   2.993
   98    HD1  HIS  16           HD1      HIS  16  -5.208  -6.788   4.680
   99    HD2  HIS  16           HD2      HIS  16  -8.169  -9.331   3.299
  100    HE1  HIS  16           HE1      HIS  16  -4.786  -8.979   5.811
  101    HE2  HIS  16           HE2      HIS  16  -6.698 -10.457   5.104
  102    H    LEU  17           HN       LEU  17  -4.841  -5.583   1.510
  103    HA   LEU  17           HA       LEU  17  -5.738  -3.025   0.693
  104    HB2  LEU  17           HB2      LEU  17  -2.933  -4.036   1.113
  105    HB3  LEU  17           HB1      LEU  17  -3.386  -2.356   0.902
  106    HG   LEU  17           HG       LEU  17  -4.058  -4.163   3.215
  107   HD11  LEU  17          HD11      LEU  17  -1.839  -2.888   3.019
  108   HD12  LEU  17          HD12      LEU  17  -2.768  -2.737   4.512
  109   HD13  LEU  17          HD13      LEU  17  -2.814  -1.444   3.312
  110   HD21  LEU  17          HD21      LEU  17  -5.242  -2.116   4.111
  111   HD22  LEU  17          HD22      LEU  17  -6.079  -3.003   2.837
  112   HD23  LEU  17          HD23      LEU  17  -5.229  -1.499   2.461
  113    H    ILE  18           HN       ILE  18  -5.353  -1.867  -0.991
  114    HA   ILE  18           HA       ILE  18  -4.778  -3.182  -3.510
  115    HB   ILE  18           HB       ILE  18  -5.677  -0.869  -4.364
  116   HG12  ILE  18          HG12      ILE  18  -7.456  -0.048  -2.698
  117   HG13  ILE  18          HG11      ILE  18  -6.530  -0.877  -1.476
  118   HG21  ILE  18          HG21      ILE  18  -7.025  -3.266  -3.383
  119   HG22  ILE  18          HG22      ILE  18  -7.130  -2.458  -4.947
  120   HG23  ILE  18          HG23      ILE  18  -8.068  -1.861  -3.581
  121   HD11  ILE  18          HD11      ILE  18  -4.747   0.562  -1.655
  122   HD12  ILE  18          HD12      ILE  18  -6.129   1.629  -1.879
  123   HD13  ILE  18          HD13      ILE  18  -5.194   1.087  -3.272
  124    H    LYS  19           HN       LYS  19  -3.128  -2.576  -4.826
  125    HA   LYS  19           HA       LYS  19  -0.919  -1.223  -3.648
  126    HB2  LYS  19           HB2      LYS  19  -0.620  -3.084  -5.203
  127    HB3  LYS  19           HB1      LYS  19  -1.390  -2.161  -6.485
  128    HG2  LYS  19           HG2      LYS  19   0.978  -2.131  -6.817
  129    HG3  LYS  19           HG1      LYS  19   0.449  -0.515  -6.345
  130    HD2  LYS  19           HD2      LYS  19   1.386  -0.686  -4.232
  131    HD3  LYS  19           HD1      LYS  19   1.439  -2.448  -4.285
  132    HE2  LYS  19           HE2      LYS  19   3.082  -0.695  -6.098
  133    HE3  LYS  19           HE1      LYS  19   3.657  -1.256  -4.530
  134    HZ1  LYS  19           HZ1      LYS  19   2.612  -3.267  -6.363
  135    HZ2  LYS  19           HZ2      LYS  19   3.892  -3.368  -5.269
  136    HZ3  LYS  19           HZ3      LYS  19   4.107  -2.584  -6.748
  137    H    VAL  20           HN       VAL  20  -1.225   0.925  -3.280
  138    HA   VAL  20           HA       VAL  20  -2.530   2.633  -5.181
  139    HB   VAL  20           HB       VAL  20  -1.364   4.478  -3.655
  140   HG11  VAL  20          HG11      VAL  20  -3.322   4.091  -1.998
  141   HG12  VAL  20          HG12      VAL  20  -3.781   2.804  -3.118
  142   HG13  VAL  20          HG13      VAL  20  -3.673   4.469  -3.686
  143   HG21  VAL  20          HG21      VAL  20  -0.419   2.167  -2.419
  144   HG22  VAL  20          HG22      VAL  20  -1.721   2.741  -1.376
  145   HG23  VAL  20          HG23      VAL  20  -0.377   3.808  -1.780
  146    H    GLY  21           HN       GLY  21   0.787   1.841  -4.357
  147    HA2  GLY  21           HA2      GLY  21   1.804   2.450  -6.885
  148    HA3  GLY  21           HA1      GLY  21   2.065   3.857  -5.863
  149    H    SER  22           HN       SER  22   4.344   3.417  -6.250
  150    HA   SER  22           HA       SER  22   5.445   1.112  -4.824
  151    HB2  SER  22           HB2      SER  22   7.606   2.355  -5.887
  152    HB3  SER  22           HB1      SER  22   6.652   1.156  -6.756
  153    HG   SER  22           HG       SER  22   6.849   3.889  -7.132
  154    H    CYS  23           HN       CYS  23   6.702   1.299  -3.013
  155    HA   CYS  23           HA       CYS  23   6.702   3.926  -1.726
  156    HB2  CYS  23           HB2      CYS  23   7.161   1.149  -0.627
  157    HB3  CYS  23           HB1      CYS  23   7.275   2.625   0.328
  158    H    PHE  24           HN       PHE  24   8.776   3.527   0.078
  159    HA   PHE  24           HA       PHE  24  10.944   4.481  -1.299
  160    HB2  PHE  24           HB2      PHE  24  10.555   4.597   1.209
  161    HB3  PHE  24           HB1      PHE  24  11.159   2.944   1.287
  162    HD1  PHE  24           HD1      PHE  24  12.451   5.595  -0.953
  163    HD2  PHE  24           HD2      PHE  24  13.100   3.318   2.581
  164    HE1  PHE  24           HE1      PHE  24  14.753   6.439  -0.833
  165    HE2  PHE  24           HE2      PHE  24  15.403   4.156   2.704
  166    HZ   PHE  24           HZ       PHE  24  16.232   5.718   0.997
  167    H    GLY  25           HN       GLY  25  11.894   3.554  -2.861
  168    HA2  GLY  25           HA2      GLY  25  13.053   2.064  -4.083
  169    HA3  GLY  25           HA1      GLY  25  13.438   1.243  -2.591
  170    H    PHE  26           HN       PHE  26  13.155  -0.754  -2.991
  171    HA   PHE  26           HA       PHE  26  11.451  -2.000  -4.792
  172    HB2  PHE  26           HB2      PHE  26  12.036  -4.034  -3.318
  173    HB3  PHE  26           HB1      PHE  26  13.356  -3.168  -4.087
  174    HD1  PHE  26           HD1      PHE  26  11.859  -1.397  -1.360
  175    HD2  PHE  26           HD2      PHE  26  14.752  -4.366  -2.308
  176    HE1  PHE  26           HE1      PHE  26  12.908  -1.098   0.846
  177    HE2  PHE  26           HE2      PHE  26  15.800  -4.086  -0.129
  178    HZ   PHE  26           HZ       PHE  26  14.922  -2.348   1.434
  179    H    ARG  27           HN       ARG  27  10.507  -0.613  -1.847
  180    HA   ARG  27           HA       ARG  27   8.598  -2.628  -1.162
  181    HB2  ARG  27           HB2      ARG  27   9.189   0.093  -0.085
  182    HB3  ARG  27           HB1      ARG  27   7.771  -0.815   0.446
  183    HG2  ARG  27           HG2      ARG  27   9.175  -2.664   1.109
  184    HG3  ARG  27           HG1      ARG  27  10.590  -1.812   0.513
  185    HD2  ARG  27           HD2      ARG  27   8.859  -0.525   2.564
  186    HD3  ARG  27           HD1      ARG  27  10.008  -1.769   3.058
  187    HE   ARG  27           HE       ARG  27  11.281   0.115   1.408
  188   HH11  ARG  27          HH11      ARG  27   9.927  -0.178   4.614
  189   HH12  ARG  27          HH12      ARG  27  11.046   0.935   5.334
  190   HH21  ARG  27          HH21      ARG  27  12.777   1.575   2.360
  191   HH22  ARG  27          HH22      ARG  27  12.657   1.938   4.053
  192    H    SER  28           HN       SER  28   6.382  -2.454  -1.044
  193    HA   SER  28           HA       SER  28   5.259  -0.912  -3.266
  194    HB2  SER  28           HB2      SER  28   4.493  -3.509  -1.943
  195    HB3  SER  28           HB1      SER  28   3.381  -2.652  -3.014
  196    HG   SER  28           HG       SER  28   5.872  -3.848  -3.598
  197    H    CYS  29           HN       CYS  29   3.514   0.402  -2.967
  198    HA   CYS  29           HA       CYS  29   2.906   1.122  -0.206
  199    HB2  CYS  29           HB2      CYS  29   3.222   2.588  -2.600
  200    HB3  CYS  29           HB1      CYS  29   1.518   2.706  -2.187
  201    H    CYS  30           HN       CYS  30   1.092   0.459   0.748
  202    HA   CYS  30           HA       CYS  30  -1.018  -0.669  -0.954
  203    HB2  CYS  30           HB2      CYS  30  -0.445  -1.463   1.889
  204    HB3  CYS  30           HB1      CYS  30  -1.327  -2.354   0.649
  205    H    ALA  31           HN       ALA  31  -3.007  -0.097  -0.647
  206    HA   ALA  31           HA       ALA  31  -3.743   1.612   1.609
  207    HB1  ALA  31           HB1      ALA  31  -5.238   2.695  -0.333
  208    HB2  ALA  31           HB2      ALA  31  -3.824   2.239  -1.273
  209    HB3  ALA  31           HB3      ALA  31  -3.647   3.313   0.108
  210    H    TRP  32           HN       TRP  32  -6.267   1.762   1.584
  211    HA   TRP  32           HA       TRP  32  -7.164  -0.965   1.394
  212    HB2  TRP  32           HB2      TRP  32  -7.951   1.466   2.841
  213    HB3  TRP  32           HB1      TRP  32  -9.250   0.330   2.486
  214    HD1  TRP  32           HD1      TRP  32  -6.269   0.859   4.768
  215    HE1  TRP  32           HE1      TRP  32  -6.152  -1.113   6.443
  216    HE3  TRP  32           HE3      TRP  32  -9.691  -2.143   2.609
  217    HZ2  TRP  32           HZ2      TRP  32  -7.398  -3.651   6.765
  218    HZ3  TRP  32           HZ3      TRP  32 -10.208  -4.347   3.624
  219    HH2  TRP  32           HH2      TRP  32  -9.073  -5.079   5.665
  220    HA   PRO  33           HA       PRO  33  -9.252  -0.853  -2.483
  221    HB2  PRO  33           HB2      PRO  33 -11.422  -2.419  -1.751
  222    HB3  PRO  33           HB1      PRO  33  -9.845  -3.016  -2.281
  223    HG2  PRO  33           HG2      PRO  33 -10.859  -2.570   0.511
  224    HG3  PRO  33           HG1      PRO  33  -9.969  -3.962  -0.145
  225    HD2  PRO  33           HD2      PRO  33  -8.656  -2.185   1.257
  226    HD3  PRO  33           HD1      PRO  33  -7.957  -2.735  -0.269
  227    H    TRP  34           HN       TRP  34 -11.102   0.285   0.312
  228    HA   TRP  34           HA       TRP  34 -13.577   0.758  -0.353
  229    HB2  TRP  34           HB2      TRP  34 -13.001   3.388   0.213
  230    HB3  TRP  34           HB1      TRP  34 -13.310   2.123   1.397
  231    HD1  TRP  34           HD1      TRP  34 -11.546   1.979   3.187
  232    HE1  TRP  34           HE1      TRP  34  -9.058   2.470   3.356
  233    HE3  TRP  34           HE3      TRP  34 -10.658   3.613  -1.570
  234    HZ2  TRP  34           HZ2      TRP  34  -6.967   3.337   1.711
  235    HZ3  TRP  34           HZ3      TRP  34  -8.382   4.208  -2.213
  236    HH2  TRP  34           HH2      TRP  34  -6.581   4.103  -0.611
  237    H    ASN  35           HN       ASN  35 -10.997   2.278  -2.147
  238    HA   ASN  35           HA       ASN  35 -12.760   2.863  -4.369
  239    HB2  ASN  35           HB2      ASN  35 -11.119   5.181  -3.479
  240    HB3  ASN  35           HB1      ASN  35 -12.665   5.173  -4.315
  241   HD21  ASN  35          HD21      ASN  35 -11.053   5.579  -1.391
  242   HD22  ASN  35          HD22      ASN  35 -12.429   5.695  -0.353
  243    H    ALA  36           HN       ALA  36 -10.542   1.131  -3.935
  244    HA   ALA  36           HA       ALA  36  -8.755   2.133  -5.983
  245    HB1  ALA  36           HB1      ALA  36  -6.843   1.250  -4.366
  246    HB2  ALA  36           HB2      ALA  36  -7.994   1.791  -3.141
  247    HB3  ALA  36           HB3      ALA  36  -7.392   2.925  -4.351
  Start of MODEL    9
    1    H1   LEU   1           HT1      LEU   1   5.814   3.178   7.841
    2    H2   LEU   1           HT2      LEU   1   7.212   2.967   6.916
    3    H3   LEU   1           HT3      LEU   1   5.797   2.136   6.514
    4    HA   LEU   1           HA       LEU   1   5.930   5.081   6.530
    5    HB2  LEU   1           HB2      LEU   1   7.638   4.115   4.987
    6    HB3  LEU   1           HB1      LEU   1   6.356   3.227   4.183
    7    HG   LEU   1           HG       LEU   1   5.278   5.497   3.726
    8   HD11  LEU   1          HD11      LEU   1   6.811   7.405   3.653
    9   HD12  LEU   1          HD12      LEU   1   8.046   6.432   4.453
   10   HD13  LEU   1          HD13      LEU   1   6.547   6.825   5.297
   11   HD21  LEU   1          HD21      LEU   1   6.291   4.189   1.978
   12   HD22  LEU   1          HD22      LEU   1   7.894   4.777   2.422
   13   HD23  LEU   1          HD23      LEU   1   6.697   5.891   1.760
   14    H    PHE   2           HN       PHE   2   4.038   5.991   5.956
   15    HA   PHE   2           HA       PHE   2   1.768   4.247   5.609
   16    HB2  PHE   2           HB2      PHE   2   1.753   6.360   7.062
   17    HB3  PHE   2           HB1      PHE   2   1.722   7.259   5.546
   18    HD1  PHE   2           HD2      PHE   2  -0.210   7.091   4.042
   19    HD2  PHE   2           HD1      PHE   2  -0.204   5.245   7.878
   20    HE1  PHE   2           HE2      PHE   2  -2.655   6.860   3.935
   21    HE2  PHE   2           HE1      PHE   2  -2.649   5.004   7.772
   22    HZ   PHE   2           HZ       PHE   2  -3.879   5.814   5.823
   23    H    CYS   3           HN       CYS   3   0.180   4.826   3.896
   24    HA   CYS   3           HA       CYS   3   1.313   6.000   1.485
   25    HB2  CYS   3           HB2      CYS   3   0.122   3.213   1.537
   26    HB3  CYS   3           HB1      CYS   3   0.668   4.078   0.104
   27    H    LYS   4           HN       LYS   4  -0.250   7.035   0.293
   28    HA   LYS   4           HA       LYS   4  -2.531   7.964   1.392
   29    HB2  LYS   4           HB2      LYS   4  -2.054   7.372  -1.526
   30    HB3  LYS   4           HB1      LYS   4  -3.377   8.358  -0.919
   31    HG2  LYS   4           HG2      LYS   4  -1.830   9.968  -0.022
   32    HG3  LYS   4           HG1      LYS   4  -0.464   8.954  -0.473
   33    HD2  LYS   4           HD2      LYS   4  -0.687  10.719  -2.091
   34    HD3  LYS   4           HD1      LYS   4  -1.123   9.190  -2.850
   35    HE2  LYS   4           HE2      LYS   4  -3.156  11.079  -1.688
   36    HE3  LYS   4           HE1      LYS   4  -2.615  11.174  -3.360
   37    HZ1  LYS   4           HZ1      LYS   4  -3.383   8.525  -2.684
   38    HZ2  LYS   4           HZ2      LYS   4  -3.958   9.524  -3.912
   39    HZ3  LYS   4           HZ3      LYS   4  -4.641   9.608  -2.371
   40    H    GLY   5           HN       GLY   5  -3.424   6.209   2.600
   41    HA2  GLY   5           HA2      GLY   5  -5.796   5.289   2.210
   42    HA3  GLY   5           HA1      GLY   5  -4.979   4.289   1.026
   43    H    GLY   6           HN       GLY   6  -2.610   3.824   2.518
   44    HA2  GLY   6           HA2      GLY   6  -3.402   2.599   5.024
   45    HA3  GLY   6           HA1      GLY   6  -2.982   1.472   3.740
   46    H    SER   7           HN       SER   7  -0.948   0.782   3.841
   47    HA   SER   7           HA       SER   7   1.164   2.686   4.476
   48    HB2  SER   7           HB2      SER   7   0.865   0.057   5.945
   49    HB3  SER   7           HB1      SER   7   2.179   1.215   6.143
   50    HG   SER   7           HG       SER   7  -0.109   2.528   6.454
   51    H    CYS   8           HN       CYS   8   3.354   1.623   4.171
   52    HA   CYS   8           HA       CYS   8   3.264   0.169   1.649
   53    HB2  CYS   8           HB2      CYS   8   4.860   1.622   1.111
   54    HB3  CYS   8           HB1      CYS   8   4.867   2.258   2.747
   55    H    HIS   9           HN       HIS   9   3.981  -1.788   1.334
   56    HA   HIS   9           HA       HIS   9   5.290  -3.249   3.528
   57    HB2  HIS   9           HB2      HIS   9   3.150  -4.314   1.669
   58    HB3  HIS   9           HB1      HIS   9   3.913  -5.189   2.994
   59    HD1  HIS   9           HD1      HIS   9   2.823  -4.974   5.268
   60    HD2  HIS   9           HD2      HIS   9   1.412  -2.196   2.535
   61    HE1  HIS   9           HE1      HIS   9   0.857  -3.865   6.383
   62    HE2  HIS   9           HE2      HIS   9   0.131  -2.077   4.774
   63    H    PHE  10           HN       PHE  10   7.010  -4.468   2.856
   64    HA   PHE  10           HA       PHE  10   7.848  -4.202   0.149
   65    HB2  PHE  10           HB2      PHE  10   9.348  -4.305   2.266
   66    HB3  PHE  10           HB1      PHE  10   9.147  -6.046   2.138
   67    HD1  PHE  10           HD1      PHE  10   9.109  -4.387  -1.022
   68    HD2  PHE  10           HD2      PHE  10  11.685  -5.982   1.958
   69    HE1  PHE  10           HE1      PHE  10  10.946  -4.500  -2.651
   70    HE2  PHE  10           HE2      PHE  10  13.502  -6.095   0.366
   71    HZ   PHE  10           HZ       PHE  10  13.120  -5.312  -2.003
   72    H    GLY  11           HN       GLY  11   7.955  -5.765  -1.446
   73    HA2  GLY  11           HA2      GLY  11   7.799  -7.934  -2.327
   74    HA3  GLY  11           HA1      GLY  11   7.053  -8.471  -0.833
   75    H    GLY  12           HN       GLY  12   5.001  -6.581  -0.635
   76    HA2  GLY  12           HA2      GLY  12   3.517  -6.237  -2.971
   77    HA3  GLY  12           HA1      GLY  12   3.043  -7.760  -2.238
   78    H    CYS  13           HN       CYS  13   1.071  -7.312  -1.500
   79    HA   CYS  13           HA       CYS  13   0.837  -5.499   0.748
   80    HB2  CYS  13           HB2      CYS  13  -0.783  -5.204  -1.777
   81    HB3  CYS  13           HB1      CYS  13  -1.180  -4.413  -0.249
   82    HA   PRO  14           HA       PRO  14  -1.717  -8.786   2.239
   83    HB2  PRO  14           HB2      PRO  14  -3.483  -6.667   3.311
   84    HB3  PRO  14           HB1      PRO  14  -2.705  -8.004   4.150
   85    HG2  PRO  14           HG2      PRO  14  -1.854  -5.447   4.367
   86    HG3  PRO  14           HG1      PRO  14  -0.770  -6.839   4.499
   87    HD2  PRO  14           HD2      PRO  14  -1.067  -4.881   2.306
   88    HD3  PRO  14           HD1      PRO  14   0.331  -5.879   2.751
   89    H    SER  15           HN       SER  15  -3.247  -9.851   1.156
   90    HA   SER  15           HA       SER  15  -4.399  -9.215  -1.144
   91    HB2  SER  15           HB2      SER  15  -5.884 -10.736   0.998
   92    HB3  SER  15           HB1      SER  15  -6.054 -10.920  -0.747
   93    HG   SER  15           HG       SER  15  -3.562 -11.306  -0.433
   94    H    HIS  16           HN       HIS  16  -5.522  -8.094   1.975
   95    HA   HIS  16           HA       HIS  16  -8.038  -7.105   1.148
   96    HB2  HIS  16           HB2      HIS  16  -6.602  -5.583   3.229
   97    HB3  HIS  16           HB1      HIS  16  -8.249  -6.190   3.220
   98    HD1  HIS  16           HD1      HIS  16  -5.291  -6.612   4.996
   99    HD2  HIS  16           HD2      HIS  16  -8.053  -9.255   3.401
  100    HE1  HIS  16           HE1      HIS  16  -4.927  -8.764   6.201
  101    HE2  HIS  16           HE2      HIS  16  -6.775 -10.281   5.406
  102    H    LEU  17           HN       LEU  17  -4.894  -5.583   1.536
  103    HA   LEU  17           HA       LEU  17  -5.758  -3.039   0.658
  104    HB2  LEU  17           HB2      LEU  17  -2.965  -4.098   1.013
  105    HB3  LEU  17           HB1      LEU  17  -3.397  -2.414   0.789
  106    HG   LEU  17           HG       LEU  17  -4.019  -4.172   3.152
  107   HD11  LEU  17          HD11      LEU  17  -1.807  -2.823   2.765
  108   HD12  LEU  17          HD12      LEU  17  -2.585  -2.865   4.343
  109   HD13  LEU  17          HD13      LEU  17  -2.805  -1.465   3.291
  110   HD21  LEU  17          HD21      LEU  17  -5.150  -1.469   2.453
  111   HD22  LEU  17          HD22      LEU  17  -5.179  -2.154   4.074
  112   HD23  LEU  17          HD23      LEU  17  -6.038  -2.963   2.764
  113    H    ILE  18           HN       ILE  18  -5.075  -1.859  -1.020
  114    HA   ILE  18           HA       ILE  18  -4.659  -3.266  -3.539
  115    HB   ILE  18           HB       ILE  18  -5.592  -0.942  -4.394
  116   HG12  ILE  18          HG12      ILE  18  -7.412  -0.221  -2.706
  117   HG13  ILE  18          HG11      ILE  18  -6.438  -1.040  -1.505
  118   HG21  ILE  18          HG21      ILE  18  -7.966  -2.025  -3.624
  119   HG22  ILE  18          HG22      ILE  18  -6.877  -3.405  -3.497
  120   HG23  ILE  18          HG23      ILE  18  -7.025  -2.535  -5.024
  121   HD11  ILE  18          HD11      ILE  18  -6.132   1.481  -1.841
  122   HD12  ILE  18          HD12      ILE  18  -5.226   1.027  -3.285
  123   HD13  ILE  18          HD13      ILE  18  -4.700   0.467  -1.703
  124    H    LYS  19           HN       LYS  19  -3.004  -2.651  -4.858
  125    HA   LYS  19           HA       LYS  19  -0.814  -1.260  -3.703
  126    HB2  LYS  19           HB2      LYS  19  -0.487  -3.123  -5.237
  127    HB3  LYS  19           HB1      LYS  19  -1.277  -2.234  -6.525
  128    HG2  LYS  19           HG2      LYS  19   1.029  -2.103  -6.950
  129    HG3  LYS  19           HG1      LYS  19   0.556  -0.525  -6.321
  130    HD2  LYS  19           HD2      LYS  19   1.529  -0.958  -4.220
  131    HD3  LYS  19           HD1      LYS  19   1.685  -2.684  -4.559
  132    HE2  LYS  19           HE2      LYS  19   3.125  -0.547  -6.117
  133    HE3  LYS  19           HE1      LYS  19   3.816  -1.347  -4.709
  134    HZ1  LYS  19           HZ1      LYS  19   4.622  -2.588  -6.460
  135    HZ2  LYS  19           HZ2      LYS  19   3.197  -2.475  -7.356
  136    HZ3  LYS  19           HZ3      LYS  19   3.265  -3.485  -6.008
  137    H    VAL  20           HN       VAL  20  -1.253   0.866  -3.304
  138    HA   VAL  20           HA       VAL  20  -2.490   2.593  -5.235
  139    HB   VAL  20           HB       VAL  20  -1.385   4.387  -3.579
  140   HG11  VAL  20          HG11      VAL  20  -3.837   2.706  -3.186
  141   HG12  VAL  20          HG12      VAL  20  -3.707   4.347  -3.812
  142   HG13  VAL  20          HG13      VAL  20  -3.439   4.038  -2.097
  143   HG21  VAL  20          HG21      VAL  20  -1.722   2.011  -1.764
  144   HG22  VAL  20          HG22      VAL  20  -1.083   3.607  -1.369
  145   HG23  VAL  20          HG23      VAL  20  -0.157   2.516  -2.398
  146    H    GLY  21           HN       GLY  21   0.763   1.781  -4.285
  147    HA2  GLY  21           HA2      GLY  21   1.919   2.579  -6.710
  148    HA3  GLY  21           HA1      GLY  21   2.150   3.871  -5.539
  149    H    SER  22           HN       SER  22   4.454   3.390  -5.808
  150    HA   SER  22           HA       SER  22   5.360   0.896  -4.604
  151    HB2  SER  22           HB2      SER  22   7.643   1.797  -5.222
  152    HB3  SER  22           HB1      SER  22   6.551   1.517  -6.576
  153    HG   SER  22           HG       SER  22   6.344   3.631  -6.888
  154    H    CYS  23           HN       CYS  23   7.626   1.559  -3.313
  155    HA   CYS  23           HA       CYS  23   6.949   3.603  -1.336
  156    HB2  CYS  23           HB2      CYS  23   6.074   1.537  -0.425
  157    HB3  CYS  23           HB1      CYS  23   7.580   0.721  -0.754
  158    H    PHE  24           HN       PHE  24   9.078   3.059   0.387
  159    HA   PHE  24           HA       PHE  24  11.197   4.219  -1.039
  160    HB2  PHE  24           HB2      PHE  24  10.674   4.775   1.307
  161    HB3  PHE  24           HB1      PHE  24  11.161   3.152   1.775
  162    HD1  PHE  24           HD1      PHE  24  12.700   5.611  -0.557
  163    HD2  PHE  24           HD2      PHE  24  13.097   3.336   3.011
  164    HE1  PHE  24           HE1      PHE  24  15.025   6.376  -0.333
  165    HE2  PHE  24           HE2      PHE  24  15.423   4.101   3.243
  166    HZ   PHE  24           HZ       PHE  24  16.390   5.624   1.570
  167    H    GLY  25           HN       GLY  25  12.955   3.475  -1.796
  168    HA2  GLY  25           HA2      GLY  25  14.604   2.092  -2.399
  169    HA3  GLY  25           HA1      GLY  25  14.211   1.080  -1.041
  170    H    PHE  26           HN       PHE  26  11.680   0.204  -1.757
  171    HA   PHE  26           HA       PHE  26  11.492  -0.814  -4.385
  172    HB2  PHE  26           HB2      PHE  26  12.112  -3.237  -3.515
  173    HB3  PHE  26           HB1      PHE  26  13.350  -2.138  -4.108
  174    HD1  PHE  26           HD1      PHE  26  11.846  -1.372  -0.907
  175    HD2  PHE  26           HD2      PHE  26  15.024  -3.449  -2.820
  176    HE1  PHE  26           HE1      PHE  26  13.013  -1.591   1.249
  177    HE2  PHE  26           HE2      PHE  26  16.180  -3.695  -0.694
  178    HZ   PHE  26           HZ       PHE  26  15.247  -2.540   1.342
  179    H    ARG  27           HN       ARG  27  10.421  -0.479  -1.242
  180    HA   ARG  27           HA       ARG  27   8.621  -2.622  -1.011
  181    HB2  ARG  27           HB2      ARG  27   8.889   0.027   0.344
  182    HB3  ARG  27           HB1      ARG  27   7.488  -0.992   0.659
  183    HG2  ARG  27           HG2      ARG  27   8.896  -2.755   1.436
  184    HG3  ARG  27           HG1      ARG  27  10.334  -1.859   0.970
  185    HD2  ARG  27           HD2      ARG  27   8.351  -0.825   2.972
  186    HD3  ARG  27           HD1      ARG  27   9.728  -1.824   3.428
  187    HE   ARG  27           HE       ARG  27  10.717   0.258   1.895
  188   HH11  ARG  27          HH11      ARG  27   8.988  -0.088   4.916
  189   HH12  ARG  27          HH12      ARG  27   9.787   1.250   5.676
  190   HH21  ARG  27          HH21      ARG  27  11.786   2.007   2.898
  191   HH22  ARG  27          HH22      ARG  27  11.366   2.459   4.519
  192    H    SER  28           HN       SER  28   6.306  -2.509  -0.978
  193    HA   SER  28           HA       SER  28   5.300  -0.903  -3.209
  194    HB2  SER  28           HB2      SER  28   3.353  -2.771  -2.649
  195    HB3  SER  28           HB1      SER  28   4.638  -2.976  -3.843
  196    HG   SER  28           HG       SER  28   4.437  -4.013  -1.238
  197    H    CYS  29           HN       CYS  29   3.596   0.496  -2.880
  198    HA   CYS  29           HA       CYS  29   2.932   1.015  -0.100
  199    HB2  CYS  29           HB2      CYS  29   3.096   2.612  -2.517
  200    HB3  CYS  29           HB1      CYS  29   1.575   2.869  -1.678
  201    H    CYS  30           HN       CYS  30   1.135   0.359   0.783
  202    HA   CYS  30           HA       CYS  30  -0.982  -0.693  -0.950
  203    HB2  CYS  30           HB2      CYS  30  -0.514  -1.457   1.915
  204    HB3  CYS  30           HB1      CYS  30  -1.322  -2.369   0.640
  205    H    ALA  31           HN       ALA  31  -2.979  -0.128  -0.658
  206    HA   ALA  31           HA       ALA  31  -3.724   1.631   1.557
  207    HB1  ALA  31           HB1      ALA  31  -3.583   3.282  -0.016
  208    HB2  ALA  31           HB2      ALA  31  -5.213   2.704  -0.364
  209    HB3  ALA  31           HB3      ALA  31  -3.861   2.174  -1.354
  210    H    TRP  32           HN       TRP  32  -6.252   1.764   1.514
  211    HA   TRP  32           HA       TRP  32  -7.122  -0.976   1.382
  212    HB2  TRP  32           HB2      TRP  32  -7.925   1.481   2.771
  213    HB3  TRP  32           HB1      TRP  32  -9.212   0.314   2.459
  214    HD1  TRP  32           HD1      TRP  32  -6.198   0.948   4.666
  215    HE1  TRP  32           HE1      TRP  32  -6.023  -0.964   6.391
  216    HE3  TRP  32           HE3      TRP  32  -9.627  -2.150   2.668
  217    HZ2  TRP  32           HZ2      TRP  32  -7.223  -3.512   6.816
  218    HZ3  TRP  32           HZ3      TRP  32 -10.091  -4.332   3.754
  219    HH2  TRP  32           HH2      TRP  32  -8.905  -4.992   5.788
  220    HA   PRO  33           HA       PRO  33  -9.206  -0.933  -2.493
  221    HB2  PRO  33           HB2      PRO  33 -11.298  -2.584  -1.783
  222    HB3  PRO  33           HB1      PRO  33  -9.683  -3.122  -2.257
  223    HG2  PRO  33           HG2      PRO  33 -10.782  -2.652   0.503
  224    HG3  PRO  33           HG1      PRO  33  -9.849  -4.041  -0.105
  225    HD2  PRO  33           HD2      PRO  33  -8.605  -2.204   1.280
  226    HD3  PRO  33           HD1      PRO  33  -7.865  -2.767  -0.224
  227    H    TRP  34           HN       TRP  34 -10.991   0.263   0.289
  228    HA   TRP  34           HA       TRP  34 -13.521   0.599  -0.330
  229    HB2  TRP  34           HB2      TRP  34 -12.982   3.271   0.128
  230    HB3  TRP  34           HB1      TRP  34 -13.279   2.047   1.357
  231    HD1  TRP  34           HD1      TRP  34 -11.497   1.953   3.136
  232    HE1  TRP  34           HE1      TRP  34  -9.011   2.477   3.280
  233    HE3  TRP  34           HE3      TRP  34 -10.677   3.469  -1.665
  234    HZ2  TRP  34           HZ2      TRP  34  -6.943   3.337   1.587
  235    HZ3  TRP  34           HZ3      TRP  34  -8.418   4.085  -2.348
  236    HH2  TRP  34           HH2      TRP  34  -6.597   4.048  -0.764
  237    H    ASN  35           HN       ASN  35 -11.003   2.105  -2.212
  238    HA   ASN  35           HA       ASN  35 -12.816   2.576  -4.426
  239    HB2  ASN  35           HB2      ASN  35 -11.178   4.939  -3.638
  240    HB3  ASN  35           HB1      ASN  35 -12.724   4.890  -4.477
  241   HD21  ASN  35          HD21      ASN  35 -11.119   5.361  -1.549
  242   HD22  ASN  35          HD22      ASN  35 -12.503   5.502  -0.523
  243    H    ALA  36           HN       ALA  36 -10.536   0.907  -3.906
  244    HA   ALA  36           HA       ALA  36  -8.802   1.853  -6.041
  245    HB1  ALA  36           HB1      ALA  36  -8.009   1.568  -3.207
  246    HB2  ALA  36           HB2      ALA  36  -7.396   2.650  -4.458
  247    HB3  ALA  36           HB3      ALA  36  -6.880   0.966  -4.422
  Start of MODEL   10
    1    H1   LEU   1           HT1      LEU   1   6.314   2.724   7.750
    2    H2   LEU   1           HT2      LEU   1   6.585   1.780   6.377
    3    H3   LEU   1           HT3      LEU   1   5.024   1.950   6.989
    4    HA   LEU   1           HA       LEU   1   5.918   4.514   6.550
    5    HB2  LEU   1           HB2      LEU   1   7.591   3.089   5.120
    6    HB3  LEU   1           HB1      LEU   1   6.221   2.886   4.045
    7    HG   LEU   1           HG       LEU   1   7.721   4.686   3.311
    8   HD11  LEU   1          HD11      LEU   1   5.181   4.701   2.994
    9   HD12  LEU   1          HD12      LEU   1   6.064   6.202   2.717
   10   HD13  LEU   1          HD13      LEU   1   5.176   5.968   4.222
   11   HD21  LEU   1          HD21      LEU   1   7.957   6.725   4.566
   12   HD22  LEU   1          HD22      LEU   1   8.476   5.370   5.567
   13   HD23  LEU   1          HD23      LEU   1   6.899   6.113   5.834
   14    H    PHE   2           HN       PHE   2   4.003   5.500   6.223
   15    HA   PHE   2           HA       PHE   2   1.730   3.924   5.511
   16    HB2  PHE   2           HB2      PHE   2   1.732   5.903   7.150
   17    HB3  PHE   2           HB1      PHE   2   1.717   6.925   5.713
   18    HD1  PHE   2           HD2      PHE   2  -0.199   6.929   4.206
   19    HD2  PHE   2           HD1      PHE   2  -0.230   4.664   7.810
   20    HE1  PHE   2           HE2      PHE   2  -2.644   6.708   4.044
   21    HE2  PHE   2           HE1      PHE   2  -2.671   4.442   7.657
   22    HZ   PHE   2           HZ       PHE   2  -3.878   5.410   5.781
   23    H    CYS   3           HN       CYS   3   0.220   4.614   3.829
   24    HA   CYS   3           HA       CYS   3   1.424   5.945   1.530
   25    HB2  CYS   3           HB2      CYS   3   0.159   3.198   1.396
   26    HB3  CYS   3           HB1      CYS   3   0.745   4.132   0.022
   27    H    LYS   4           HN       LYS   4  -0.068   7.049   0.329
   28    HA   LYS   4           HA       LYS   4  -2.315   8.064   1.408
   29    HB2  LYS   4           HB2      LYS   4  -1.906   7.482  -1.529
   30    HB3  LYS   4           HB1      LYS   4  -3.057   8.634  -0.865
   31    HG2  LYS   4           HG2      LYS   4  -1.306  10.026  -0.044
   32    HG3  LYS   4           HG1      LYS   4  -0.088   8.813  -0.430
   33    HD2  LYS   4           HD2      LYS   4  -0.046  10.578  -2.083
   34    HD3  LYS   4           HD1      LYS   4  -0.606   9.080  -2.822
   35    HE2  LYS   4           HE2      LYS   4  -2.471  11.216  -1.813
   36    HE3  LYS   4           HE1      LYS   4  -1.856  11.179  -3.463
   37    HZ1  LYS   4           HZ1      LYS   4  -4.047   9.816  -2.427
   38    HZ2  LYS   4           HZ2      LYS   4  -2.887   8.651  -2.817
   39    HZ3  LYS   4           HZ3      LYS   4  -3.420   9.737  -3.992
   40    H    GLY   5           HN       GLY   5  -3.354   6.323   2.557
   41    HA2  GLY   5           HA2      GLY   5  -5.741   5.529   2.113
   42    HA3  GLY   5           HA1      GLY   5  -4.987   4.572   0.858
   43    H    GLY   6           HN       GLY   6  -2.634   3.896   2.396
   44    HA2  GLY   6           HA2      GLY   6  -3.575   2.544   4.771
   45    HA3  GLY   6           HA1      GLY   6  -3.223   1.473   3.423
   46    H    SER   7           HN       SER   7  -1.386   0.464   4.018
   47    HA   SER   7           HA       SER   7   0.897   2.172   4.730
   48    HB2  SER   7           HB2      SER   7   0.341  -0.605   5.795
   49    HB3  SER   7           HB1      SER   7   1.702   0.427   6.231
   50    HG   SER   7           HG       SER   7  -0.984   1.257   6.587
   51    H    CYS   8           HN       CYS   8   3.000   1.278   4.223
   52    HA   CYS   8           HA       CYS   8   2.964  -0.150   1.674
   53    HB2  CYS   8           HB2      CYS   8   4.556   1.306   1.090
   54    HB3  CYS   8           HB1      CYS   8   4.379   2.084   2.651
   55    H    HIS   9           HN       HIS   9   3.938  -2.044   1.338
   56    HA   HIS   9           HA       HIS   9   5.336  -3.331   3.573
   57    HB2  HIS   9           HB2      HIS   9   3.282  -4.722   1.848
   58    HB3  HIS   9           HB1      HIS   9   4.080  -5.351   3.282
   59    HD1  HIS   9           HD1      HIS   9   3.090  -4.674   5.571
   60    HD2  HIS   9           HD2      HIS   9   1.222  -2.895   2.327
   61    HE1  HIS   9           HE1      HIS   9   0.969  -3.666   6.480
   62    HE2  HIS   9           HE2      HIS   9  -0.093  -2.509   4.521
   63    H    PHE  10           HN       PHE  10   7.028  -4.572   2.937
   64    HA   PHE  10           HA       PHE  10   7.958  -4.223   0.296
   65    HB2  PHE  10           HB2      PHE  10   9.405  -4.494   2.403
   66    HB3  PHE  10           HB1      PHE  10   9.108  -6.219   2.234
   67    HD1  PHE  10           HD1      PHE  10   9.253  -4.405  -0.867
   68    HD2  PHE  10           HD2      PHE  10  11.607  -6.381   2.064
   69    HE1  PHE  10           HE1      PHE  10  11.113  -4.595  -2.463
   70    HE2  PHE  10           HE2      PHE  10  13.441  -6.576   0.506
   71    HZ   PHE  10           HZ       PHE  10  13.150  -5.609  -1.865
   72    H    GLY  11           HN       GLY  11   7.861  -5.538  -1.437
   73    HA2  GLY  11           HA2      GLY  11   7.815  -7.668  -2.476
   74    HA3  GLY  11           HA1      GLY  11   7.007  -8.318  -1.064
   75    H    GLY  12           HN       GLY  12   4.911  -6.523  -0.792
   76    HA2  GLY  12           HA2      GLY  12   3.539  -6.020  -3.196
   77    HA3  GLY  12           HA1      GLY  12   3.033  -7.570  -2.541
   78    H    CYS  13           HN       CYS  13   1.049  -7.200  -1.773
   79    HA   CYS  13           HA       CYS  13   0.788  -5.318   0.428
   80    HB2  CYS  13           HB2      CYS  13  -0.873  -5.223  -2.080
   81    HB3  CYS  13           HB1      CYS  13  -1.332  -4.418  -0.582
   82    HA   PRO  14           HA       PRO  14  -1.573  -8.572   2.258
   83    HB2  PRO  14           HB2      PRO  14  -3.307  -6.337   3.171
   84    HB3  PRO  14           HB1      PRO  14  -2.576  -7.634   4.111
   85    HG2  PRO  14           HG2      PRO  14  -1.619  -5.130   4.165
   86    HG3  PRO  14           HG1      PRO  14  -0.559  -6.544   4.292
   87    HD2  PRO  14           HD2      PRO  14  -0.961  -4.678   2.026
   88    HD3  PRO  14           HD1      PRO  14   0.460  -5.648   2.453
   89    H    SER  15           HN       SER  15  -3.110  -9.750   1.305
   90    HA   SER  15           HA       SER  15  -4.367  -9.306  -0.988
   91    HB2  SER  15           HB2      SER  15  -5.696 -10.734   1.320
   92    HB3  SER  15           HB1      SER  15  -5.971 -11.018  -0.400
   93    HG   SER  15           HG       SER  15  -3.578 -11.455  -0.407
   94    H    HIS  16           HN       HIS  16  -5.274  -7.884   2.034
   95    HA   HIS  16           HA       HIS  16  -7.878  -7.043   1.190
   96    HB2  HIS  16           HB2      HIS  16  -6.619  -5.503   3.344
   97    HB3  HIS  16           HB1      HIS  16  -8.175  -6.315   3.307
   98    HD1  HIS  16           HD1      HIS  16  -4.923  -6.526   4.786
   99    HD2  HIS  16           HD2      HIS  16  -7.848  -9.234   3.679
  100    HE1  HIS  16           HE1      HIS  16  -4.346  -8.647   5.968
  101    HE2  HIS  16           HE2      HIS  16  -6.253 -10.206   5.465
  102    H    LEU  17           HN       LEU  17  -4.776  -5.436   1.682
  103    HA   LEU  17           HA       LEU  17  -5.705  -2.913   0.786
  104    HB2  LEU  17           HB2      LEU  17  -2.893  -3.909   1.175
  105    HB3  LEU  17           HB1      LEU  17  -3.346  -2.239   0.893
  106    HG   LEU  17           HG       LEU  17  -3.866  -3.922   3.323
  107   HD11  LEU  17          HD11      LEU  17  -2.515  -1.287   2.819
  108   HD12  LEU  17          HD12      LEU  17  -1.772  -2.799   3.350
  109   HD13  LEU  17          HD13      LEU  17  -2.867  -1.926   4.423
  110   HD21  LEU  17          HD21      LEU  17  -5.121  -1.904   4.167
  111   HD22  LEU  17          HD22      LEU  17  -5.969  -2.907   2.990
  112   HD23  LEU  17          HD23      LEU  17  -5.232  -1.381   2.488
  113    H    ILE  18           HN       ILE  18  -5.319  -1.812  -0.953
  114    HA   ILE  18           HA       ILE  18  -4.774  -3.243  -3.418
  115    HB   ILE  18           HB       ILE  18  -5.636  -0.939  -4.362
  116   HG12  ILE  18          HG12      ILE  18  -7.458  -0.095  -2.723
  117   HG13  ILE  18          HG11      ILE  18  -6.498  -0.851  -1.481
  118   HG21  ILE  18          HG21      ILE  18  -7.062  -2.572  -4.921
  119   HG22  ILE  18          HG22      ILE  18  -8.048  -1.876  -3.636
  120   HG23  ILE  18          HG23      ILE  18  -7.042  -3.285  -3.310
  121   HD11  ILE  18          HD11      ILE  18  -6.151   1.630  -1.936
  122   HD12  ILE  18          HD12      ILE  18  -5.279   1.104  -3.377
  123   HD13  ILE  18          HD13      ILE  18  -4.726   0.608  -1.782
  124    H    LYS  19           HN       LYS  19  -3.074  -2.759  -4.711
  125    HA   LYS  19           HA       LYS  19  -0.860  -1.382  -3.601
  126    HB2  LYS  19           HB2      LYS  19  -0.633  -3.292  -5.140
  127    HB3  LYS  19           HB1      LYS  19  -1.340  -2.340  -6.433
  128    HG2  LYS  19           HG2      LYS  19   1.019  -2.410  -6.751
  129    HG3  LYS  19           HG1      LYS  19   0.581  -0.775  -6.255
  130    HD2  LYS  19           HD2      LYS  19   1.405  -1.127  -4.060
  131    HD3  LYS  19           HD1      LYS  19   1.560  -2.864  -4.320
  132    HE2  LYS  19           HE2      LYS  19   3.088  -0.890  -5.981
  133    HE3  LYS  19           HE1      LYS  19   3.689  -1.414  -4.413
  134    HZ1  LYS  19           HZ1      LYS  19   4.442  -2.668  -6.505
  135    HZ2  LYS  19           HZ2      LYS  19   2.917  -3.394  -6.458
  136    HZ3  LYS  19           HZ3      LYS  19   3.974  -3.574  -5.155
  137    H    VAL  20           HN       VAL  20  -1.058   0.769  -3.288
  138    HA   VAL  20           HA       VAL  20  -2.398   2.468  -5.203
  139    HB   VAL  20           HB       VAL  20  -1.165   4.251  -3.568
  140   HG11  VAL  20          HG11      VAL  20  -3.301   4.111  -2.173
  141   HG12  VAL  20          HG12      VAL  20  -3.768   2.789  -3.248
  142   HG13  VAL  20          HG13      VAL  20  -3.476   4.398  -3.906
  143   HG21  VAL  20          HG21      VAL  20  -1.236   3.409  -1.278
  144   HG22  VAL  20          HG22      VAL  20  -0.073   2.509  -2.251
  145   HG23  VAL  20          HG23      VAL  20  -1.642   1.800  -1.875
  146    H    GLY  21           HN       GLY  21   0.869   1.639  -4.315
  147    HA2  GLY  21           HA2      GLY  21   2.003   2.302  -6.766
  148    HA3  GLY  21           HA1      GLY  21   2.210   3.697  -5.715
  149    H    SER  22           HN       SER  22   4.502   3.360  -5.831
  150    HA   SER  22           HA       SER  22   5.519   0.950  -4.540
  151    HB2  SER  22           HB2      SER  22   7.770   2.126  -5.112
  152    HB3  SER  22           HB1      SER  22   6.814   1.428  -6.418
  153    HG   SER  22           HG       SER  22   6.650   3.346  -7.240
  154    H    CYS  23           HN       CYS  23   7.403   1.349  -2.986
  155    HA   CYS  23           HA       CYS  23   6.697   3.511  -1.114
  156    HB2  CYS  23           HB2      CYS  23   5.985   1.290  -0.313
  157    HB3  CYS  23           HB1      CYS  23   7.627   0.715  -0.483
  158    H    PHE  24           HN       PHE  24   8.819   3.093   0.658
  159    HA   PHE  24           HA       PHE  24  10.925   4.355  -0.754
  160    HB2  PHE  24           HB2      PHE  24  10.358   5.101   1.481
  161    HB3  PHE  24           HB1      PHE  24  10.684   3.495   2.124
  162    HD1  PHE  24           HD1      PHE  24  12.473   5.948  -0.048
  163    HD2  PHE  24           HD2      PHE  24  12.635   3.335   3.304
  164    HE1  PHE  24           HE1      PHE  24  14.825   6.574   0.320
  165    HE2  PHE  24           HE2      PHE  24  14.984   3.957   3.682
  166    HZ   PHE  24           HZ       PHE  24  16.083   5.577   2.190
  167    H    GLY  25           HN       GLY  25  12.791   3.654  -1.329
  168    HA2  GLY  25           HA2      GLY  25  14.556   2.324  -1.678
  169    HA3  GLY  25           HA1      GLY  25  14.061   1.352  -0.326
  170    H    PHE  26           HN       PHE  26  11.646   0.350  -1.275
  171    HA   PHE  26           HA       PHE  26  11.781  -0.792  -3.846
  172    HB2  PHE  26           HB2      PHE  26  12.400  -3.142  -2.660
  173    HB3  PHE  26           HB1      PHE  26  13.582  -2.088  -3.419
  174    HD1  PHE  26           HD1      PHE  26  11.951  -1.224  -0.250
  175    HD2  PHE  26           HD2      PHE  26  15.437  -2.832  -2.082
  176    HE1  PHE  26           HE1      PHE  26  13.169  -0.917   1.843
  177    HE2  PHE  26           HE2      PHE  26  16.665  -2.555   0.029
  178    HZ   PHE  26           HZ       PHE  26  15.537  -1.597   1.999
  179    H    ARG  27           HN       ARG  27  10.478  -0.521  -0.746
  180    HA   ARG  27           HA       ARG  27   8.705  -2.695  -0.722
  181    HB2  ARG  27           HB2      ARG  27   8.719  -0.067   0.726
  182    HB3  ARG  27           HB1      ARG  27   7.475  -1.286   0.994
  183    HG2  ARG  27           HG2      ARG  27   9.132  -2.863   1.705
  184    HG3  ARG  27           HG1      ARG  27  10.417  -1.734   1.314
  185    HD2  ARG  27           HD2      ARG  27   8.265  -1.156   3.326
  186    HD3  ARG  27           HD1      ARG  27   9.804  -1.898   3.753
  187    HE   ARG  27           HE       ARG  27  10.378   0.433   2.346
  188   HH11  ARG  27          HH11      ARG  27   8.793  -0.493   5.316
  189   HH12  ARG  27          HH12      ARG  27   9.256   0.940   6.173
  190   HH21  ARG  27          HH21      ARG  27  10.993   2.352   3.481
  191   HH22  ARG  27          HH22      ARG  27  10.497   2.567   5.127
  192    H    SER  28           HN       SER  28   6.374  -2.573  -0.771
  193    HA   SER  28           HA       SER  28   5.478  -0.977  -3.057
  194    HB2  SER  28           HB2      SER  28   4.573  -3.574  -1.823
  195    HB3  SER  28           HB1      SER  28   3.520  -2.679  -2.918
  196    HG   SER  28           HG       SER  28   6.137  -3.076  -3.765
  197    H    CYS  29           HN       CYS  29   3.773   0.429  -2.860
  198    HA   CYS  29           HA       CYS  29   2.975   1.063  -0.134
  199    HB2  CYS  29           HB2      CYS  29   3.362   2.585  -2.559
  200    HB3  CYS  29           HB1      CYS  29   1.771   2.894  -1.880
  201    H    CYS  30           HN       CYS  30   1.088   0.502   0.670
  202    HA   CYS  30           HA       CYS  30  -0.993  -0.415  -1.191
  203    HB2  CYS  30           HB2      CYS  30  -0.660  -1.441   1.608
  204    HB3  CYS  30           HB1      CYS  30  -1.455  -2.198   0.232
  205    H    ALA  31           HN       ALA  31  -3.037   0.019  -0.747
  206    HA   ALA  31           HA       ALA  31  -3.699   1.771   1.488
  207    HB1  ALA  31           HB1      ALA  31  -3.565   3.429  -0.075
  208    HB2  ALA  31           HB2      ALA  31  -5.230   2.905  -0.336
  209    HB3  ALA  31           HB3      ALA  31  -3.953   2.349  -1.408
  210    H    TRP  32           HN       TRP  32  -6.257   1.927   1.478
  211    HA   TRP  32           HA       TRP  32  -7.083  -0.819   1.424
  212    HB2  TRP  32           HB2      TRP  32  -7.917   1.649   2.772
  213    HB3  TRP  32           HB1      TRP  32  -9.190   0.461   2.483
  214    HD1  TRP  32           HD1      TRP  32  -6.157   1.142   4.655
  215    HE1  TRP  32           HE1      TRP  32  -5.945  -0.769   6.390
  216    HE3  TRP  32           HE3      TRP  32  -9.598  -1.990   2.718
  217    HZ2  TRP  32           HZ2      TRP  32  -7.121  -3.323   6.835
  218    HZ3  TRP  32           HZ3      TRP  32 -10.030  -4.171   3.820
  219    HH2  TRP  32           HH2      TRP  32  -8.808  -4.816   5.840
  220    HA   PRO  33           HA       PRO  33  -9.215  -0.875  -2.418
  221    HB2  PRO  33           HB2      PRO  33 -11.150  -2.694  -1.725
  222    HB3  PRO  33           HB1      PRO  33  -9.480  -3.114  -2.130
  223    HG2  PRO  33           HG2      PRO  33 -10.683  -2.605   0.588
  224    HG3  PRO  33           HG1      PRO  33  -9.710  -4.000   0.052
  225    HD2  PRO  33           HD2      PRO  33  -8.518  -2.100   1.376
  226    HD3  PRO  33           HD1      PRO  33  -7.759  -2.664  -0.118
  227    H    TRP  34           HN       TRP  34 -10.945   0.247   0.403
  228    HA   TRP  34           HA       TRP  34 -13.527   0.391  -0.052
  229    HB2  TRP  34           HB2      TRP  34 -13.100   3.128   0.212
  230    HB3  TRP  34           HB1      TRP  34 -13.323   1.966   1.515
  231    HD1  TRP  34           HD1      TRP  34 -11.517   2.016   3.245
  232    HE1  TRP  34           HE1      TRP  34  -9.063   2.654   3.322
  233    HE3  TRP  34           HE3      TRP  34 -10.803   3.346  -1.640
  234    HZ2  TRP  34           HZ2      TRP  34  -7.047   3.526   1.590
  235    HZ3  TRP  34           HZ3      TRP  34  -8.571   4.042  -2.361
  236    HH2  TRP  34           HH2      TRP  34  -6.732   4.151  -0.782
  237    H    ASN  35           HN       ASN  35 -11.256   2.041  -2.116
  238    HA   ASN  35           HA       ASN  35 -13.190   2.200  -4.252
  239    HB2  ASN  35           HB2      ASN  35 -13.208   4.590  -4.443
  240    HB3  ASN  35           HB1      ASN  35 -13.582   4.190  -2.772
  241   HD21  ASN  35          HD21      ASN  35 -12.380   5.025  -1.184
  242   HD22  ASN  35          HD22      ASN  35 -10.925   5.928  -1.417
  243    H    ALA  36           HN       ALA  36 -10.638   1.000  -3.626
  244    HA   ALA  36           HA       ALA  36  -9.129   1.990  -5.926
  245    HB1  ALA  36           HB1      ALA  36  -7.041   1.422  -4.443
  246    HB2  ALA  36           HB2      ALA  36  -8.154   1.767  -3.118
  247    HB3  ALA  36           HB3      ALA  36  -7.820   3.000  -4.334