*HEADER    TRANSCRIPTION                           10-JUL-12   2LVR              
*TITLE     SOLUTION STRUCTURE OF MIZ-1 ZINC FINGER 8                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ZINC FINGER AND BTB DOMAIN-CONTAINING PROTEIN 17;          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C2H2-TYPE 8 ZINC FINGER RESIDUES 500-528;                  
*COMPND   5 SYNONYM: MYC-INTERACTING ZINC FINGER PROTEIN 1, MIZ-1, ZINC FINGER   
*COMPND   6 PROTEIN 151, ZINC FINGER PROTEIN 60;                                 
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: MIZ1, ZBTB17, ZNF151, ZNF60;                                   
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21 STAR (DE3);                           
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET-3A                                     
*KEYWDS    C2H2 ZINC FINGER, CLASSICAL ZINC FINGER, TRANSCRIPTION                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.BEDARD, L.MALTAIS, M.BEAULIEU, D.BERNARD, P.LAVIGNE                 
*REVDAT   1   25-JUL-12 2LVR    0                                                


assign ( resid 3 and name HD2
  )
       ( resid 3 and name HA
  ) 3.7 1.9 0.7 volume=0.408 peak=1569 ppm1=3.598 ppm2=4.164

assign ( resid 29 and name HB1
  )
       ( resid 29 and name HA
  ) 3.1 1.3 0.6 volume=1.101 peak=1037 ppm1=1.899 ppm2=4.035

assign ( resid 23 and name HA
  )
       ( resid 26 and name HN
  ) 3.8 2.0 0.8 volume=0.379 peak=717 ppm1=3.505 ppm2=7.301

assign ( resid 9 and name HB2
  )
       ( resid 26 and name HE1
  ) 2.9 1.1 0.6 volume=1.889 peak=961 ppm1=2.754 ppm2=7.925

assign ( resid 11 and name HB1
  )
       ( resid 11 and name HA
  ) 3.5 1.7 0.7 volume=0.549 peak=911 ppm1=1.214 ppm2=3.920

assign ( resid 5 and name HN
  )
       ( resid 4 and name HD1 or resid 4 and name HD2
  ) 4.4 2.6 0.9 volume=0.156 peak=409 ppm1=8.421 ppm2=6.892

assign ( resid 29 and name HG1
  )
       ( resid 29 and name HA
  ) 3.6 1.8 0.7 volume=0.494 peak=1568 ppm1=2.177 ppm2=4.045

assign ( resid 16 and name HD1
  )
       ( resid 17 and name HN
  ) 4.8 3.0 1.0 volume=0.092 peak=1043 ppm1=3.080 ppm2=8.252

assign ( resid 15 and name HB2
  )
       ( resid 15 and name HN
  ) 3.8 2.0 0.8 volume=0.352 peak=1584 ppm1=2.573 ppm2=7.359

assign ( resid 20 and name HB2
  or resid 20 and name HB1
  )
       ( resid 21 and name HN
  ) 3.4 1.6 0.7 volume=0.688 peak=734 ppm1=2.023 ppm2=7.735

assign ( resid 25 and name HG12
  or resid 25 and name HG11
  )
       ( resid 25 and name HG2#
  ) 2.4 0.6 0.5 volume=5.837 peak=969 ppm1=0.769 ppm2=0.453

assign ( resid 15 and name HB1
  )
       ( resid 15 and name HN
  ) 4.0 2.2 0.8 volume=0.246 peak=919 ppm1=2.698 ppm2=7.359

assign ( resid 3 and name HA
  )
       ( resid 3 and name HB1
  ) 3.2 1.4 0.6 volume=1.036 peak=701 ppm1=4.197 ppm2=1.224

assign ( resid 20 and name HB2
  or resid 20 and name HB1
  )
       ( resid 20 and name HN
  ) 3.2 1.4 0.6 volume=0.928 peak=1049 ppm1=2.054 ppm2=7.936

assign ( resid 11 and name HB1
  )
       ( resid 11 and name HB2
  ) 2.4 0.6 0.5 volume=5.005 peak=1356 ppm1=1.213 ppm2=1.368

assign ( resid 17 and name HA1
  or resid 17 and name HA2
  )
       ( resid 17 and name HN
  ) 2.9 1.1 0.6 volume=1.844 peak=1651 ppm1=3.676 ppm2=8.248

assign ( resid 8 and name HA
  )
       ( resid 8 and name HB2
  ) 3.9 2.1 0.8 volume=0.326 peak=768 ppm1=4.249 ppm2=1.800

assign ( resid 22 and name HN
  )
       ( resid 23 and name HN
  ) 3.1 1.3 0.6 volume=1.191 peak=230 ppm1=7.370 ppm2=8.270

assign ( resid 10 and name HB2
  )
       ( resid 10 and name HG2
  or resid 10 and name HG1
  ) 2.2 0.4 0.4 volume=8.324 peak=1282 ppm1=2.192 ppm2=2.120

assign ( resid 5 and name HN
  )
       ( resid 5 and name HG1#
  ) 2.9 1.1 0.6 volume=1.974 peak=288 ppm1=8.424 ppm2=0.648

assign ( resid 30 and name HN
  )
       ( resid 29 and name HG2
  ) 3.9 2.1 0.8 volume=0.308 peak=410 ppm1=8.076 ppm2=2.110

assign ( resid 3 and name HB1
  )
       ( resid 3 and name HD2
  ) 3.8 2.0 0.8 volume=0.386 peak=1419 ppm1=1.231 ppm2=3.593

assign ( resid 4 and name HN
  )
       ( resid 4 and name HA
  ) 3.2 1.4 0.6 volume=0.919 peak=475 ppm1=7.725 ppm2=4.476

assign ( resid 8 and name HN
  )
       ( resid 8 and name HB1
  ) 3.4 1.6 0.7 volume=0.655 peak=193 ppm1=8.500 ppm2=2.213

assign ( resid 20 and name HA
  )
       ( resid 22 and name HN
  ) 3.0 1.2 0.6 volume=1.358 peak=1400 ppm1=3.817 ppm2=7.362

assign ( resid 22 and name HB2
  )
       ( resid 23 and name HN
  ) 3.4 1.6 0.7 volume=0.714 peak=882 ppm1=2.721 ppm2=8.280

assign ( resid 19 and name HB2
  )
       ( resid 16 and name HA
  ) 4.0 2.2 0.8 volume=0.280 peak=1514 ppm1=1.042 ppm2=3.439

assign ( resid 11 and name HN
  )
       ( resid 11 and name HB2
  ) 3.0 1.2 0.6 volume=1.494 peak=539 ppm1=7.838 ppm2=1.366

assign ( resid 23 and name HA
  )
       ( resid 26 and name HB2
  ) 4.0 2.2 0.8 volume=0.275 peak=1635 ppm1=3.505 ppm2=2.605

assign ( resid 12 and name HB1
  )
       ( resid 13 and name HN
  ) 4.0 2.2 0.8 volume=0.269 peak=1507 ppm1=1.761 ppm2=8.894

assign ( resid 19 and name HN
  )
       ( resid 19 and name HA
  ) 3.1 1.3 0.6 volume=1.208 peak=197 ppm1=6.805 ppm2=2.992

assign ( resid 20 and name HA
  )
       ( resid 19 and name HN
  ) 3.8 2.0 0.8 volume=0.331 peak=814 ppm1=3.806 ppm2=6.775

assign ( resid 7 and name HN
  )
       ( resid 7 and name HD1#
  ) 2.9 1.1 0.6 volume=1.709 peak=296 ppm1=8.662 ppm2=0.587

assign ( resid 7 and name HN
  )
       ( resid 6 and name HA
  ) 2.9 1.1 0.6 volume=1.823 peak=589 ppm1=8.660 ppm2=4.493

assign ( resid 21 and name HG1
  or resid 21 and name HG2
  )
       ( resid 21 and name HD1
  ) 3.3 1.5 0.7 volume=0.849 peak=1267 ppm1=1.358 ppm2=3.147

assign ( resid 8 and name HN
  )
       ( resid 7 and name HA
  ) 3.9 2.1 0.8 volume=0.296 peak=269 ppm1=8.498 ppm2=3.907

assign ( resid 20 and name HN
  )
       ( resid 19 and name HN
  ) 3.5 1.7 0.7 volume=0.629 peak=113 ppm1=7.935 ppm2=6.802

assign ( resid 19 and name HN
  )
       ( resid 18 and name HB#
  ) 2.9 1.1 0.6 volume=1.651 peak=206 ppm1=6.803 ppm2=1.462

assign ( resid 29 and name HN
  )
       ( resid 27 and name HA
  ) 3.5 1.7 0.7 volume=0.623 peak=180 ppm1=7.884 ppm2=4.121

assign ( resid 4 and name HN
  )
       ( resid 3 and name HG1
  ) 3.6 1.8 0.7 volume=0.482 peak=103 ppm1=7.728 ppm2=1.691

assign ( resid 22 and name HN
  )
       ( resid 22 and name HB1
  ) 2.7 0.9 0.5 volume=2.746 peak=417 ppm1=7.368 ppm2=2.868

assign ( resid 6 and name HB1
  )
       ( resid 10 and name HN
  ) 3.2 1.4 0.6 volume=1.034 peak=1323 ppm1=3.294 ppm2=8.191

assign ( resid 11 and name HB2
  )
       ( resid 6 and name HB1
  ) 4.6 2.8 0.9 volume=0.120 peak=1120 ppm1=1.385 ppm2=3.259

assign ( resid 9 and name HB2
  )
       ( resid 9 and name HA
  ) 3.3 1.5 0.7 volume=0.815 peak=1432 ppm1=2.753 ppm2=5.039

assign ( resid 4 and name HN
  )
       ( resid 3 and name HA
  ) 3.0 1.2 0.6 volume=1.364 peak=211 ppm1=7.729 ppm2=4.172

assign ( resid 9 and name HB1
  )
       ( resid 9 and name HB2
  ) 2.3 0.5 0.5 volume=8.139 peak=1565 ppm1=3.361 ppm2=2.744

assign ( resid 23 and name HN
  )
       ( resid 22 and name HN
  ) 3.8 2.0 0.8 volume=0.344 peak=179 ppm1=8.262 ppm2=7.367

assign ( resid 27 and name HB
  )
       ( resid 27 and name HN
  ) 4.0 2.2 0.8 volume=0.275 peak=859 ppm1=4.164 ppm2=7.551

assign ( resid 24 and name HN
  )
       ( resid 24 and name HG1
  ) 2.7 0.9 0.5 volume=2.913 peak=430 ppm1=6.762 ppm2=1.655

assign ( resid 22 and name HA
  )
       ( resid 25 and name HG2#
  ) 3.6 1.8 0.7 volume=0.527 peak=750 ppm1=4.139 ppm2=0.455

assign ( resid 22 and name HN
  )
       ( resid 21 and name HB2
  ) 2.8 1.0 0.6 volume=2.462 peak=590 ppm1=7.371 ppm2=1.664

assign ( resid 25 and name HN
  )
       ( resid 25 and name HG12
  or resid 25 and name HG11
  ) 3.6 1.8 0.7 volume=0.484 peak=607 ppm1=7.682 ppm2=0.727

assign ( resid 17 and name HA1
  or resid 17 and name HA2
  )
       ( resid 20 and name HG1
  ) 3.9 2.1 0.8 volume=0.317 peak=1522 ppm1=3.655 ppm2=2.210

assign ( resid 26 and name HB2
  )
       ( resid 27 and name HN
  ) 4.6 2.8 0.9 volume=0.110 peak=942 ppm1=2.613 ppm2=7.565

assign ( resid 11 and name HB1
  )
       ( resid 6 and name HB2
  ) 3.8 2.0 0.8 volume=0.386 peak=1591 ppm1=1.212 ppm2=2.740

assign ( resid 12 and name HG2
  )
       ( resid 12 and name HE21
  ) 4.1 2.3 0.8 volume=0.236 peak=722 ppm1=2.042 ppm2=7.486

assign ( resid 20 and name HG2
  )
       ( resid 20 and name HA
  ) 3.6 1.8 0.7 volume=0.480 peak=1082 ppm1=2.290 ppm2=3.791

assign ( resid 7 and name HA
  )
       ( resid 7 and name HN
  ) 3.3 1.5 0.7 volume=0.883 peak=998 ppm1=3.937 ppm2=8.669

assign ( resid 18 and name HN
  )
       ( resid 17 and name HA1
  or resid 17 and name HA2
  ) 3.1 1.3 0.6 volume=1.109 peak=498 ppm1=8.034 ppm2=3.625

assign ( resid 26 and name HE1
  )
       ( resid 9 and name HB2
  ) 3.1 1.3 0.6 volume=1.218 peak=70 ppm1=7.931 ppm2=2.746

assign ( resid 24 and name HN
  )
       ( resid 24 and name HA
  ) 3.3 1.5 0.7 volume=0.901 peak=611 ppm1=6.759 ppm2=3.970

assign ( resid 8 and name HN
  )
       ( resid 8 and name HB2
  ) 3.2 1.4 0.6 volume=0.954 peak=304 ppm1=8.498 ppm2=1.808

assign ( resid 21 and name HG1
  or resid 21 and name HG2
  )
       ( resid 21 and name HN
  ) 3.4 1.6 0.7 volume=0.737 peak=1413 ppm1=1.364 ppm2=7.736

assign ( resid 25 and name HG2#
  )
       ( resid 25 and name HN
  ) 3.1 1.3 0.6 volume=1.294 peak=1294 ppm1=0.454 ppm2=7.690

assign ( resid 9 and name HA
  )
       ( resid 9 and name HN
  ) 3.3 1.5 0.7 volume=0.869 peak=841 ppm1=5.067 ppm2=7.941

assign ( resid 14 and name HB#
  )
       ( resid 15 and name HN
  ) 3.5 1.7 0.7 volume=0.558 peak=838 ppm1=1.449 ppm2=7.352

assign ( resid 3 and name HG1
  )
       ( resid 3 and name HA
  ) 4.1 2.3 0.8 volume=0.227 peak=756 ppm1=1.737 ppm2=4.167

assign ( resid 5 and name HN
  )
       ( resid 5 and name HB
  ) 3.0 1.2 0.6 volume=1.455 peak=458 ppm1=8.423 ppm2=1.687

assign ( resid 13 and name HD1 or resid 13 and name HD2
  )
       ( resid 18 and name HB#
  ) 3.3 1.5 0.7 volume=0.771 peak=39 ppm1=7.033 ppm2=1.500

assign ( resid 25 and name HA
  )
       ( resid 25 and name HB
  ) 2.7 0.9 0.5 volume=2.501 peak=793 ppm1=3.855 ppm2=1.568

assign ( resid 4 and name HN
  )
       ( resid 4 and name HB1
  ) 3.0 1.2 0.6 volume=1.500 peak=370 ppm1=7.728 ppm2=2.859

assign ( resid 3 and name HG2
  )
       ( resid 3 and name HD2
  ) 3.2 1.4 0.6 volume=1.067 peak=1676 ppm1=1.554 ppm2=3.588

assign ( resid 11 and name HB1
  )
       ( resid 11 and name HG2
  or resid 11 and name HG1
  ) 3.3 1.5 0.7 volume=0.901 peak=682 ppm1=1.211 ppm2=1.710

assign ( resid 10 and name HB2
  )
       ( resid 10 and name HN
  ) 4.1 2.3 0.8 volume=0.229 peak=1551 ppm1=2.191 ppm2=8.194

assign ( resid 13 and name HB2
  )
       ( resid 13 and name HD1 or resid 13 and name HD2
  ) 3.4 1.6 0.7 volume=0.757 peak=846 ppm1=2.579 ppm2=7.031

assign ( resid 25 and name HA
  )
       ( resid 25 and name HG2#
  ) 2.7 0.9 0.5 volume=2.610 peak=1299 ppm1=3.855 ppm2=0.449

assign ( resid 24 and name HN
  )
       ( resid 24 and name HG2
  ) 2.7 0.9 0.5 volume=2.541 peak=476 ppm1=6.761 ppm2=1.552

assign ( resid 26 and name HD2
  )
       ( resid 22 and name HD2
  ) 3.5 1.7 0.7 volume=0.581 peak=81 ppm1=6.572 ppm2=6.850

assign ( resid 12 and name HN
  )
       ( resid 13 and name HN
  ) 4.1 2.3 0.8 volume=0.222 peak=520 ppm1=7.856 ppm2=8.866

assign ( resid 11 and name HN
  )
       ( resid 6 and name HB1
  ) 3.2 1.4 0.6 volume=1.007 peak=387 ppm1=7.838 ppm2=3.258

assign ( resid 15 and name HB1
  )
       ( resid 18 and name HB#
  ) 3.7 1.9 0.7 volume=0.428 peak=1684 ppm1=2.697 ppm2=1.493

assign ( resid 12 and name HG1
  )
       ( resid 12 and name HB2
  ) 2.7 0.9 0.5 volume=2.504 peak=686 ppm1=2.263 ppm2=1.621

assign ( resid 3 and name HG1
  )
       ( resid 3 and name HB1
  ) 3.3 1.5 0.7 volume=0.855 peak=855 ppm1=1.744 ppm2=1.235

assign ( resid 25 and name HB
  )
       ( resid 25 and name HG2#
  ) 2.6 0.8 0.5 volume=3.242 peak=1459 ppm1=1.594 ppm2=0.461

assign ( resid 12 and name HB2
  )
       ( resid 13 and name HN
  ) 4.1 2.3 0.8 volume=0.240 peak=923 ppm1=1.636 ppm2=8.896

assign ( resid 17 and name HA1
  or resid 17 and name HA2
  )
       ( resid 20 and name HB1
  ) 3.2 1.4 0.6 volume=1.092 peak=1352 ppm1=3.654 ppm2=2.010

assign ( resid 22 and name HB1
  )
       ( resid 22 and name HN
  ) 2.9 1.1 0.6 volume=1.656 peak=1469 ppm1=2.918 ppm2=7.371

assign ( resid 22 and name HN
  )
       ( resid 21 and name HA
  ) 3.2 1.4 0.6 volume=1.099 peak=487 ppm1=7.369 ppm2=3.804

assign ( resid 9 and name HN
  )
       ( resid 8 and name HA
  ) 4.2 2.4 0.8 volume=0.195 peak=629 ppm1=7.946 ppm2=4.228

assign ( resid 8 and name HN
  )
       ( resid 8 and name HA
  ) 3.3 1.5 0.7 volume=0.784 peak=227 ppm1=8.509 ppm2=4.213

assign ( resid 18 and name HB#
  )
       ( resid 13 and name HB1
  ) 3.2 1.4 0.6 volume=0.977 peak=810 ppm1=1.505 ppm2=3.115

assign ( resid 26 and name HN
  )
       ( resid 25 and name HA
  ) 3.5 1.7 0.7 volume=0.616 peak=391 ppm1=7.276 ppm2=3.824

assign ( resid 16 and name HD1
  )
       ( resid 15 and name HB1
  ) 3.4 1.6 0.7 volume=0.642 peak=1421 ppm1=3.081 ppm2=2.658

assign ( resid 14 and name HA
  )
       ( resid 14 and name HB#
  ) 3.4 1.6 0.7 volume=0.750 peak=1583 ppm1=4.443 ppm2=1.430

assign ( resid 19 and name HN
  )
       ( resid 19 and name HB2
  ) 3.0 1.2 0.6 volume=1.559 peak=285 ppm1=6.804 ppm2=1.026

assign ( resid 6 and name HN
  )
       ( resid 5 and name HG1#
  or resid 5 and name HG2#
  ) 3.0 1.2 0.6 volume=1.509 peak=449 ppm1=9.002 ppm2=0.648

assign ( resid 6 and name HB2
  )
       ( resid 10 and name HN
  ) 3.6 1.8 0.7 volume=0.533 peak=1140 ppm1=2.744 ppm2=8.200

assign ( resid 6 and name HN
  )
       ( resid 5 and name HB
  ) 3.8 2.0 0.8 volume=0.361 peak=639 ppm1=8.999 ppm2=1.688

assign ( resid 13 and name HN
  )
       ( resid 5 and name HG1#
  ) 4.0 2.2 0.8 volume=0.259 peak=239 ppm1=8.887 ppm2=0.648

assign ( resid 19 and name HN
  )
       ( resid 17 and name HA1
  or resid 17 and name HA2
  ) 3.8 2.0 0.8 volume=0.383 peak=534 ppm1=6.802 ppm2=3.647

assign ( resid 10 and name HE22
  )
       ( resid 10 and name HE21
  ) 2.3 0.5 0.5 volume=6.720 peak=401 ppm1=6.361 ppm2=7.092

assign ( resid 6 and name HB2
  )
       ( resid 6 and name HN
  ) 3.1 1.3 0.6 volume=1.143 peak=931 ppm1=2.744 ppm2=9.000

assign ( resid 22 and name HN
  )
       ( resid 22 and name HA
  ) 3.0 1.2 0.6 volume=1.404 peak=546 ppm1=7.368 ppm2=4.107

assign ( resid 28 and name HA2
  )
       ( resid 29 and name HN
  ) 3.3 1.5 0.7 volume=0.805 peak=1600 ppm1=3.884 ppm2=7.886

assign ( resid 7 and name HN
  )
       ( resid 7 and name HA
  ) 3.5 1.7 0.7 volume=0.636 peak=308 ppm1=8.660 ppm2=3.901

assign ( resid 22 and name HD2
  )
       ( resid 23 and name HA
  ) 3.5 1.7 0.7 volume=0.610 peak=9 ppm1=6.859 ppm2=3.485

assign ( resid 13 and name HN
  )
       ( resid 12 and name HA
  ) 2.7 0.9 0.5 volume=2.677 peak=620 ppm1=8.889 ppm2=4.821

assign ( resid 8 and name HN
  )
       ( resid 7 and name HG2#
  ) 3.5 1.7 0.7 volume=0.619 peak=270 ppm1=8.495 ppm2=0.650

assign ( resid 22 and name HA
  )
       ( resid 22 and name HB1
  ) 3.1 1.3 0.6 volume=1.269 peak=1161 ppm1=4.147 ppm2=2.915

assign ( resid 22 and name HB1
  )
       ( resid 22 and name HB2
  ) 2.2 0.4 0.4 volume=8.959 peak=1226 ppm1=2.914 ppm2=2.728

assign ( resid 8 and name HB2
  )
       ( resid 8 and name HN
  ) 3.6 1.8 0.7 volume=0.529 peak=1379 ppm1=1.806 ppm2=8.518

assign ( resid 5 and name HN
  )
       ( resid 4 and name HB1
  ) 3.6 1.8 0.7 volume=0.480 peak=141 ppm1=8.423 ppm2=2.862

assign ( resid 7 and name HA
  )
       ( resid 10 and name HG2
  or resid 10 and name HG1
  ) 3.8 2.0 0.8 volume=0.382 peak=1492 ppm1=3.948 ppm2=2.124

assign ( resid 4 and name HN
  )
       ( resid 3 and name HB1
  ) 3.4 1.6 0.7 volume=0.689 peak=551 ppm1=7.725 ppm2=1.230

assign ( resid 19 and name HA
  )
       ( resid 19 and name HB1
  ) 3.5 1.7 0.7 volume=0.596 peak=1614 ppm1=3.026 ppm2=1.722

assign ( resid 21 and name HN
  )
       ( resid 21 and name HA
  ) 2.8 1.0 0.6 volume=2.464 peak=319 ppm1=7.723 ppm2=3.827

assign ( resid 25 and name HD1#
  )
       ( resid 25 and name HA
  ) 3.6 1.8 0.7 volume=0.526 peak=1333 ppm1=0.547 ppm2=3.832

assign ( resid 21 and name HN
  )
       ( resid 20 and name HB1
  ) 3.0 1.2 0.6 volume=1.590 peak=232 ppm1=7.724 ppm2=2.017

assign ( resid 20 and name HB2
  or resid 20 and name HB1
  )
       ( resid 21 and name HN
  ) 3.6 1.8 0.7 volume=0.476 peak=1178 ppm1=2.052 ppm2=7.734

assign ( resid 12 and name HB2
  )
       ( resid 5 and name HG1#
  ) 3.9 2.1 0.8 volume=0.307 peak=1242 ppm1=1.641 ppm2=0.636

assign ( resid 25 and name HA
  )
       ( resid 24 and name HN
  ) 4.6 2.8 0.9 volume=0.111 peak=1397 ppm1=3.865 ppm2=6.729

assign ( resid 20 and name HN
  )
       ( resid 21 and name HN
  ) 3.1 1.3 0.6 volume=1.269 peak=166 ppm1=7.923 ppm2=7.735

assign ( resid 3 and name HA
  )
       ( resid 3 and name HB2
  ) 3.0 1.2 0.6 volume=1.605 peak=1295 ppm1=4.197 ppm2=1.884

assign ( resid 12 and name HN
  )
       ( resid 11 and name HA
  ) 2.5 0.7 0.5 volume=4.055 peak=557 ppm1=7.858 ppm2=3.910

assign ( resid 4 and name HB2
  )
       ( resid 4 and name HD1 or resid 4 and name HD2
  ) 3.1 1.3 0.6 volume=1.326 peak=778 ppm1=2.741 ppm2=6.890

assign ( resid 13 and name HN
  )
       ( resid 4 and name HB2
  ) 3.5 1.7 0.7 volume=0.559 peak=326 ppm1=8.885 ppm2=2.746

assign ( resid 9 and name HB2
  )
       ( resid 9 and name HN
  ) 2.9 1.1 0.6 volume=1.889 peak=1346 ppm1=2.753 ppm2=7.943

assign ( resid 13 and name HN
  )
       ( resid 13 and name HB1
  ) 3.6 1.8 0.7 volume=0.534 peak=608 ppm1=8.889 ppm2=3.119

assign ( resid 10 and name HB2
  )
       ( resid 10 and name HB1
  ) 2.3 0.5 0.5 volume=6.660 peak=1198 ppm1=2.191 ppm2=2.335

assign ( resid 10 and name HG2
  or resid 10 and name HG1
  )
       ( resid 10 and name HN
  ) 3.7 1.9 0.7 volume=0.445 peak=707 ppm1=2.117 ppm2=8.196

assign ( resid 20 and name HN
  )
       ( resid 20 and name HB1
  ) 2.9 1.1 0.6 volume=1.718 peak=178 ppm1=7.927 ppm2=2.018

assign ( resid 6 and name HB2
  )
       ( resid 6 and name HB1
  ) 2.4 0.6 0.5 volume=5.426 peak=1315 ppm1=2.750 ppm2=3.286

assign ( resid 19 and name HN
  )
       ( resid 19 and name HB1
  ) 2.8 1.0 0.6 volume=2.457 peak=377 ppm1=6.803 ppm2=1.697

assign ( resid 27 and name HN
  )
       ( resid 26 and name HN
  ) 3.7 1.9 0.7 volume=0.399 peak=587 ppm1=7.536 ppm2=7.291

assign ( resid 6 and name HN
  )
       ( resid 6 and name HB1
  ) 2.9 1.1 0.6 volume=1.666 peak=343 ppm1=9.001 ppm2=3.257

assign ( resid 19 and name HB1
  )
       ( resid 19 and name HB2
  ) 2.6 0.8 0.5 volume=3.237 peak=1366 ppm1=1.741 ppm2=1.036

assign ( resid 12 and name HB1
  )
       ( resid 5 and name HG1#
  ) 4.1 2.3 0.8 volume=0.212 peak=804 ppm1=1.766 ppm2=0.649

assign ( resid 19 and name HN
  )
       ( resid 20 and name HB1
  ) 4.1 2.3 0.8 volume=0.213 peak=653 ppm1=6.804 ppm2=2.015

assign ( resid 22 and name HB1
  )
       ( resid 23 and name HN
  ) 3.6 1.8 0.7 volume=0.481 peak=1534 ppm1=2.916 ppm2=8.280

assign ( resid 6 and name HB1
  )
       ( resid 9 and name HN
  ) 2.9 1.1 0.6 volume=1.690 peak=864 ppm1=3.293 ppm2=7.936

assign ( resid 18 and name HB#
  )
       ( resid 15 and name HN
  ) 3.4 1.6 0.7 volume=0.693 peak=1029 ppm1=1.503 ppm2=7.354

assign ( resid 9 and name HB1
  )
       ( resid 9 and name HA
  ) 3.0 1.2 0.6 volume=1.462 peak=716 ppm1=3.359 ppm2=5.040

assign ( resid 15 and name HB2
  )
       ( resid 14 and name HB#
  ) 3.2 1.4 0.6 volume=0.994 peak=960 ppm1=2.578 ppm2=1.434

assign ( resid 22 and name HN
  )
       ( resid 23 and name HG1#
  ) 3.4 1.6 0.7 volume=0.711 peak=504 ppm1=7.373 ppm2=1.219

assign ( resid 7 and name HN
  )
       ( resid 7 and name HG12
  or resid 7 and name HG11
  ) 3.3 1.5 0.7 volume=0.877 peak=595 ppm1=8.664 ppm2=0.962

assign ( resid 23 and name HA
  )
       ( resid 23 and name HB
  ) 3.1 1.3 0.6 volume=1.242 peak=755 ppm1=3.506 ppm2=2.219

assign ( resid 16 and name HD2
  )
       ( resid 15 and name HB1
  ) 3.1 1.3 0.6 volume=1.288 peak=1325 ppm1=3.654 ppm2=2.663

assign ( resid 24 and name HG1
  )
       ( resid 24 and name HD2
  ) 3.1 1.3 0.6 volume=1.108 peak=1040 ppm1=1.658 ppm2=3.056

assign ( resid 3 and name HB1
  )
       ( resid 4 and name HN
  ) 4.0 2.2 0.8 volume=0.271 peak=1649 ppm1=1.230 ppm2=7.736

assign ( resid 10 and name HB1
  )
       ( resid 10 and name HA
  ) 3.5 1.7 0.7 volume=0.602 peak=967 ppm1=2.334 ppm2=3.872

assign ( resid 21 and name HN
  )
       ( resid 17 and name HA1
  or resid 17 and name HA2
  ) 3.4 1.6 0.7 volume=0.645 peak=105 ppm1=7.726 ppm2=3.640

assign ( resid 13 and name HB2
  )
       ( resid 13 and name HN
  ) 3.9 2.1 0.8 volume=0.308 peak=1280 ppm1=2.577 ppm2=8.895

assign ( resid 8 and name HA
  )
       ( resid 8 and name HB1
  ) 3.2 1.4 0.6 volume=0.930 peak=918 ppm1=4.248 ppm2=2.213

assign ( resid 3 and name HD1
  )
       ( resid 3 and name HB1
  ) 3.5 1.7 0.7 volume=0.593 peak=1211 ppm1=3.682 ppm2=1.231

assign ( resid 19 and name HB2
  )
       ( resid 19 and name HB1
  ) 2.7 0.9 0.5 volume=2.571 peak=1046 ppm1=1.040 ppm2=1.739

assign ( resid 7 and name HD1#
  )
       ( resid 7 and name HN
  ) 3.9 2.1 0.8 volume=0.289 peak=1504 ppm1=0.599 ppm2=8.661

assign ( resid 4 and name HB1
  )
       ( resid 4 and name HD1 or resid 4 and name HD2
  ) 3.0 1.2 0.6 volume=1.367 peak=981 ppm1=2.863 ppm2=6.885

assign ( resid 26 and name HD2
  )
       ( resid 8 and name HB2
  ) 3.8 2.0 0.8 volume=0.343 peak=59 ppm1=6.565 ppm2=1.803

assign ( resid 3 and name HG2
  )
       ( resid 3 and name HA
  ) 4.0 2.2 0.8 volume=0.246 peak=705 ppm1=1.548 ppm2=4.168

assign ( resid 23 and name HA
  )
       ( resid 23 and name HN
  ) 3.4 1.6 0.7 volume=0.674 peak=1253 ppm1=3.509 ppm2=8.272

assign ( resid 3 and name HA
  )
       ( resid 13 and name HN
  ) 5.5 3.7 0.5 volume=0.038 peak=941 ppm1=4.197 ppm2=8.859

assign ( resid 6 and name HA
  )
       ( resid 7 and name HN
  ) 4.1 2.3 0.8 volume=0.221 peak=1079 ppm1=4.517 ppm2=8.666

assign ( resid 3 and name HD1
  )
       ( resid 3 and name HA
  ) 3.7 1.9 0.7 volume=0.444 peak=881 ppm1=3.684 ppm2=4.163

assign ( resid 20 and name HN
  )
       ( resid 20 and name HA
  ) 3.3 1.5 0.7 volume=0.783 peak=578 ppm1=7.932 ppm2=3.773

assign ( resid 20 and name HB2
  or resid 20 and name HB1
  )
       ( resid 20 and name HA
  ) 3.1 1.3 0.6 volume=1.240 peak=775 ppm1=2.024 ppm2=3.775

assign ( resid 21 and name HN
  )
       ( resid 22 and name HN
  ) 3.0 1.2 0.6 volume=1.561 peak=196 ppm1=7.725 ppm2=7.361

assign ( resid 23 and name HA
  )
       ( resid 25 and name HN
  ) 4.0 2.2 0.8 volume=0.258 peak=816 ppm1=3.509 ppm2=7.682

assign ( resid 24 and name HG1
  )
       ( resid 24 and name HA
  ) 3.6 1.8 0.7 volume=0.465 peak=1320 ppm1=1.661 ppm2=3.971

assign ( resid 18 and name HB#
  )
       ( resid 13 and name HB2
  ) 3.2 1.4 0.6 volume=0.957 peak=1375 ppm1=1.503 ppm2=2.555

assign ( resid 22 and name HB2
  )
       ( resid 22 and name HA
  ) 3.2 1.4 0.6 volume=1.086 peak=1627 ppm1=2.720 ppm2=4.107

assign ( resid 20 and name HB2
  or resid 20 and name HB1
  )
       ( resid 20 and name HA
  ) 3.3 1.5 0.7 volume=0.879 peak=1250 ppm1=2.055 ppm2=3.772

assign ( resid 26 and name HB2
  )
       ( resid 27 and name HG2#
  ) 4.4 2.6 0.9 volume=0.145 peak=1097 ppm1=2.627 ppm2=1.071

assign ( resid 10 and name HA
  )
       ( resid 10 and name HG2
  or resid 10 and name HG1
  ) 2.8 1.0 0.6 volume=2.454 peak=1430 ppm1=3.900 ppm2=2.129

assign ( resid 12 and name HN
  )
       ( resid 12 and name HA
  ) 3.5 1.7 0.7 volume=0.612 peak=204 ppm1=7.859 ppm2=4.821

assign ( resid 14 and name HN
  )
       ( resid 14 and name HB#
  ) 3.8 2.0 0.8 volume=0.349 peak=271 ppm1=8.957 ppm2=1.427

assign ( resid 20 and name HB2
  or resid 20 and name HB1
  )
       ( resid 20 and name HN
  ) 3.1 1.3 0.6 volume=1.224 peak=1412 ppm1=2.024 ppm2=7.938

assign ( resid 12 and name HA
  )
       ( resid 5 and name HG1#
  ) 4.5 2.7 0.9 volume=0.125 peak=1562 ppm1=4.866 ppm2=0.635

assign ( resid 9 and name HN
  )
       ( resid 9 and name HA
  ) 3.6 1.8 0.7 volume=0.477 peak=492 ppm1=7.943 ppm2=5.020

assign ( resid 28 and name HN
  )
       ( resid 28 and name HA2
  or resid 28 and name HA1
  ) 3.6 1.8 0.7 volume=0.520 peak=414 ppm1=8.108 ppm2=3.806

assign ( resid 8 and name HB2
  )
       ( resid 8 and name HA
  ) 3.9 2.1 0.8 volume=0.315 peak=1434 ppm1=1.803 ppm2=4.202

assign ( resid 4 and name HB2
  )
       ( resid 13 and name HN
  ) 4.1 2.3 0.8 volume=0.215 peak=1625 ppm1=2.740 ppm2=8.856

assign ( resid 25 and name HN
  )
       ( resid 25 and name HG2#
  ) 3.0 1.2 0.6 volume=1.476 peak=357 ppm1=7.676 ppm2=0.437

assign ( resid 12 and name HG2
  )
       ( resid 12 and name HE22
  ) 4.2 2.4 0.8 volume=0.183 peak=1111 ppm1=2.028 ppm2=6.652

assign ( resid 22 and name HD2
  )
       ( resid 6 and name HB1
  ) 3.8 2.0 0.8 volume=0.352 peak=57 ppm1=6.853 ppm2=3.280

assign ( resid 6 and name HN
  )
       ( resid 5 and name HA
  ) 2.7 0.9 0.5 volume=2.858 peak=210 ppm1=9.003 ppm2=4.622

assign ( resid 3 and name HB1
  )
       ( resid 3 and name HB2
  ) 2.5 0.7 0.5 volume=4.445 peak=1410 ppm1=1.229 ppm2=1.886

assign ( resid 12 and name HG1
  )
       ( resid 12 and name HE22
  ) 3.2 1.4 0.6 volume=0.949 peak=1372 ppm1=2.269 ppm2=6.649

assign ( resid 5 and name HB
  )
       ( resid 13 and name HN
  ) 4.0 2.2 0.8 volume=0.261 peak=746 ppm1=1.717 ppm2=8.887

assign ( resid 26 and name HD2
  )
       ( resid 26 and name HN
  ) 3.7 1.9 0.7 volume=0.399 peak=3 ppm1=6.569 ppm2=7.292

assign ( resid 4 and name HB1
  )
       ( resid 13 and name HN
  ) 4.2 2.4 0.8 volume=0.187 peak=1520 ppm1=2.867 ppm2=8.856

assign ( resid 29 and name HN
  )
       ( resid 29 and name HA
  ) 3.0 1.2 0.6 volume=1.472 peak=198 ppm1=7.882 ppm2=4.010

assign ( resid 6 and name HA
  )
       ( resid 19 and name HD2#
  ) 3.7 1.9 0.7 volume=0.394 peak=1414 ppm1=4.488 ppm2=0.867

assign ( resid 11 and name HB2
  )
       ( resid 11 and name HN
  ) 3.2 1.4 0.6 volume=0.987 peak=1293 ppm1=1.379 ppm2=7.854

assign ( resid 23 and name HB
  )
       ( resid 23 and name HN
  ) 3.4 1.6 0.7 volume=0.693 peak=887 ppm1=2.249 ppm2=8.282

assign ( resid 6 and name HB2
  )
       ( resid 22 and name HD2
  ) 3.1 1.3 0.6 volume=1.224 peak=1311 ppm1=2.758 ppm2=6.850

assign ( resid 20 and name HB2
  or resid 20 and name HB1
  )
       ( resid 17 and name HA1
  or resid 17 and name HA2
  ) 3.4 1.6 0.7 volume=0.706 peak=700 ppm1=2.052 ppm2=3.641

assign ( resid 27 and name HB
  )
       ( resid 27 and name HG2#
  ) 2.5 0.7 0.5 volume=4.085 peak=770 ppm1=4.161 ppm2=1.058

assign ( resid 4 and name HB1
  )
       ( resid 4 and name HN
  ) 3.5 1.7 0.7 volume=0.539 peak=1015 ppm1=2.866 ppm2=7.738

assign ( resid 4 and name HD1 or resid 4 and name HD2
  )
       ( resid 4 and name HB2
  ) 2.7 0.9 0.5 volume=2.510 peak=65 ppm1=6.870 ppm2=2.740

assign ( resid 15 and name HB2
  )
       ( resid 17 and name HA1
  or resid 17 and name HA2
  ) 3.4 1.6 0.7 volume=0.658 peak=836 ppm1=2.566 ppm2=3.622

assign ( resid 13 and name HN
  )
       ( resid 13 and name HD1 or resid 13 and name HD2
  ) 3.3 1.5 0.7 volume=0.842 peak=300 ppm1=8.889 ppm2=7.027

assign ( resid 29 and name HG1
  )
       ( resid 27 and name HG2#
  ) 4.1 2.3 0.8 volume=0.216 peak=1423 ppm1=2.165 ppm2=1.085

assign ( resid 19 and name HN
  )
       ( resid 13 and name HB2
  ) 3.8 2.0 0.8 volume=0.344 peak=189 ppm1=6.806 ppm2=2.544

assign ( resid 29 and name HG1
  )
       ( resid 29 and name HN
  ) 3.9 2.1 0.8 volume=0.291 peak=1678 ppm1=2.171 ppm2=7.882

assign ( resid 25 and name HG12
  or resid 25 and name HG11
  )
       ( resid 25 and name HD1#
  ) 2.4 0.6 0.5 volume=6.113 peak=988 ppm1=0.771 ppm2=0.522

assign ( resid 9 and name HN
  )
       ( resid 9 and name HB2
  ) 3.6 1.8 0.7 volume=0.492 peak=457 ppm1=7.940 ppm2=2.748

assign ( resid 19 and name HN
  )
       ( resid 4 and name HB2
  ) 3.8 2.0 0.8 volume=0.379 peak=513 ppm1=6.805 ppm2=2.737

assign ( resid 19 and name HN
  )
       ( resid 20 and name HG1
  ) 4.1 2.3 0.8 volume=0.211 peak=427 ppm1=6.803 ppm2=2.209

assign ( resid 11 and name HB1
  )
       ( resid 11 and name HN
  ) 3.2 1.4 0.6 volume=1.042 peak=954 ppm1=1.213 ppm2=7.857

assign ( resid 29 and name HB1
  )
       ( resid 27 and name HG2#
  ) 4.1 2.3 0.8 volume=0.232 peak=678 ppm1=1.898 ppm2=1.047

assign ( resid 7 and name HA
  )
       ( resid 7 and name HG2#
  ) 2.6 0.8 0.5 volume=3.244 peak=1550 ppm1=3.944 ppm2=0.651

assign ( resid 21 and name HG1
  or resid 21 and name HG2
  )
       ( resid 21 and name HA
  ) 3.3 1.5 0.7 volume=0.824 peak=842 ppm1=1.362 ppm2=3.813

assign ( resid 26 and name HB1
  )
       ( resid 23 and name HA
  ) 4.8 3.0 1.0 volume=0.090 peak=1054 ppm1=2.531 ppm2=3.471

assign ( resid 26 and name HD2
  )
       ( resid 23 and name HG1#
  ) 3.2 1.4 0.6 volume=0.999 peak=75 ppm1=6.568 ppm2=1.219

assign ( resid 29 and name HA
  )
       ( resid 30 and name HN
  ) 2.9 1.1 0.6 volume=1.921 peak=1327 ppm1=4.060 ppm2=8.080

assign ( resid 19 and name HA
  )
       ( resid 19 and name HN
  ) 3.5 1.7 0.7 volume=0.542 peak=794 ppm1=3.022 ppm2=6.804

assign ( resid 3 and name HA
  )
       ( resid 5 and name HN
  ) 5.4 3.6 0.6 volume=0.044 peak=1328 ppm1=4.193 ppm2=8.400

assign ( resid 22 and name HD2
  )
       ( resid 22 and name HN
  ) 4.4 2.6 0.9 volume=0.148 peak=78 ppm1=6.857 ppm2=7.385

assign ( resid 9 and name HN
  )
       ( resid 7 and name HD1#
  ) 4.5 2.7 0.9 volume=0.130 peak=518 ppm1=7.939 ppm2=0.591

assign ( resid 15 and name HB1
  )
       ( resid 17 and name HN
  ) 4.6 2.8 0.9 volume=0.121 peak=1484 ppm1=2.703 ppm2=8.244

assign ( resid 12 and name HA
  )
       ( resid 12 and name HG1
  ) 4.6 2.8 0.9 volume=0.112 peak=1680 ppm1=4.866 ppm2=2.237

assign ( resid 13 and name HB2
  )
       ( resid 15 and name HN
  ) 4.0 2.2 0.8 volume=0.262 peak=685 ppm1=2.578 ppm2=7.356

assign ( resid 4 and name HB2
  )
       ( resid 19 and name HB1
  ) 3.8 2.0 0.8 volume=0.374 peak=1561 ppm1=2.735 ppm2=1.725

assign ( resid 29 and name HB2
  )
       ( resid 30 and name HN
  ) 3.7 1.9 0.7 volume=0.403 peak=854 ppm1=1.859 ppm2=8.072

assign ( resid 25 and name HB
  )
       ( resid 26 and name HN
  ) 4.0 2.2 0.8 volume=0.264 peak=1053 ppm1=1.600 ppm2=7.268

assign ( resid 25 and name HD1#
  )
       ( resid 25 and name HN
  ) 3.5 1.7 0.7 volume=0.552 peak=1453 ppm1=0.546 ppm2=7.690

assign ( resid 29 and name HB1
  )
       ( resid 30 and name HN
  ) 3.7 1.9 0.7 volume=0.440 peak=1620 ppm1=1.895 ppm2=8.072

assign ( resid 26 and name HB2
  )
       ( resid 23 and name HA
  ) 4.5 2.7 0.9 volume=0.123 peak=1025 ppm1=2.626 ppm2=3.464

assign ( resid 27 and name HN
  )
       ( resid 27 and name HG2#
  ) 4.1 2.3 0.8 volume=0.229 peak=484 ppm1=7.526 ppm2=1.042

assign ( resid 13 and name HN
  )
       ( resid 3 and name HA
  ) 4.6 2.8 0.9 volume=0.118 peak=626 ppm1=8.894 ppm2=4.183

assign ( resid 10 and name HN
  )
       ( resid 10 and name HA
  ) 2.6 0.8 0.5 volume=3.538 peak=226 ppm1=8.186 ppm2=3.857

assign ( resid 28 and name HA1
  )
       ( resid 29 and name HN
  ) 3.4 1.6 0.7 volume=0.710 peak=808 ppm1=3.815 ppm2=7.885

assign ( resid 10 and name HN
  )
       ( resid 6 and name HB1
  ) 3.3 1.5 0.7 volume=0.769 peak=532 ppm1=8.187 ppm2=3.257

assign ( resid 3 and name HG2
  )
       ( resid 4 and name HN
  ) 4.0 2.2 0.8 volume=0.261 peak=1086 ppm1=1.557 ppm2=7.721

assign ( resid 9 and name HN
  )
       ( resid 6 and name HB2
  ) 3.6 1.8 0.7 volume=0.492 peak=448 ppm1=7.941 ppm2=2.734

assign ( resid 4 and name HB1
  )
       ( resid 5 and name HN
  ) 4.1 2.3 0.8 volume=0.227 peak=1482 ppm1=2.869 ppm2=8.420

assign ( resid 10 and name HG2
  or resid 10 and name HG1
  )
       ( resid 10 and name HE21
  ) 3.6 1.8 0.7 volume=0.512 peak=1643 ppm1=2.121 ppm2=7.097

assign ( resid 30 and name HN
  )
       ( resid 29 and name HN
  ) 3.2 1.4 0.6 volume=0.939 peak=283 ppm1=8.078 ppm2=7.884

assign ( resid 8 and name HN
  )
       ( resid 6 and name HB2
  ) 3.7 1.9 0.7 volume=0.392 peak=354 ppm1=8.508 ppm2=2.739

assign ( resid 15 and name HN
  )
       ( resid 15 and name HB1
  ) 3.2 1.4 0.6 volume=0.923 peak=535 ppm1=7.347 ppm2=2.673

assign ( resid 11 and name HB2
  )
       ( resid 11 and name HG2
  or resid 11 and name HG1
  ) 3.3 1.5 0.7 volume=0.771 peak=1216 ppm1=1.378 ppm2=1.707

assign ( resid 13 and name HN
  )
       ( resid 12 and name HB1
  ) 3.4 1.6 0.7 volume=0.666 peak=402 ppm1=8.887 ppm2=1.752

assign ( resid 18 and name HB#
  )
       ( resid 18 and name HA
  ) 2.7 0.9 0.5 volume=2.500 peak=938 ppm1=1.505 ppm2=3.830

assign ( resid 8 and name HB1
  )
       ( resid 8 and name HA
  ) 4.0 2.2 0.8 volume=0.274 peak=1378 ppm1=2.240 ppm2=4.210

assign ( resid 7 and name HA
  )
       ( resid 7 and name HB
  ) 2.8 1.0 0.6 volume=2.228 peak=1572 ppm1=3.941 ppm2=1.691

assign ( resid 3 and name HB2
  )
       ( resid 3 and name HD2
  ) 3.5 1.7 0.7 volume=0.557 peak=1301 ppm1=1.919 ppm2=3.589

assign ( resid 23 and name HN
  )
       ( resid 24 and name HN
  ) 3.6 1.8 0.7 volume=0.475 peak=514 ppm1=8.261 ppm2=6.769

assign ( resid 29 and name HN
  )
       ( resid 29 and name HG2
  ) 3.2 1.4 0.6 volume=1.086 peak=543 ppm1=7.882 ppm2=2.100

assign ( resid 8 and name HB2
  )
       ( resid 9 and name HN
  ) 3.5 1.7 0.7 volume=0.583 peak=1371 ppm1=1.810 ppm2=7.932

assign ( resid 25 and name HG2#
  )
       ( resid 22 and name HA
  ) 4.1 2.3 0.8 volume=0.227 peak=1537 ppm1=0.452 ppm2=4.112

assign ( resid 9 and name HA
  )
       ( resid 9 and name HB2
  ) 2.9 1.1 0.6 volume=1.723 peak=1153 ppm1=5.072 ppm2=2.728

assign ( resid 20 and name HN
  )
       ( resid 19 and name HA
  ) 3.9 2.1 0.8 volume=0.295 peak=537 ppm1=7.926 ppm2=2.990

assign ( resid 25 and name HB
  )
       ( resid 25 and name HN
  ) 3.3 1.5 0.7 volume=0.781 peak=1138 ppm1=1.594 ppm2=7.687

assign ( resid 26 and name HN
  )
       ( resid 23 and name HA
  ) 4.0 2.2 0.8 volume=0.264 peak=291 ppm1=7.271 ppm2=3.457

assign ( resid 25 and name HG2#
  )
       ( resid 26 and name HE1
  ) 3.9 2.1 0.8 volume=0.315 peak=1491 ppm1=0.454 ppm2=7.919

assign ( resid 20 and name HB2
  or resid 20 and name HB1
  )
       ( resid 17 and name HA1
  or resid 17 and name HA2
  ) 3.2 1.4 0.6 volume=0.925 peak=1160 ppm1=2.023 ppm2=3.641

assign ( resid 25 and name HA
  )
       ( resid 25 and name HN
  ) 3.2 1.4 0.6 volume=0.942 peak=1224 ppm1=3.856 ppm2=7.684

assign ( resid 13 and name HD1 or resid 13 and name HD2
  )
       ( resid 13 and name HB1
  ) 3.2 1.4 0.6 volume=1.035 peak=55 ppm1=7.031 ppm2=3.134

assign ( resid 10 and name HE21
  )
       ( resid 10 and name HE22
  ) 2.3 0.5 0.5 volume=7.026 peak=275 ppm1=7.094 ppm2=6.371

assign ( resid 29 and name HN
  )
       ( resid 29 and name HB2
  ) 2.8 1.0 0.6 volume=2.116 peak=133 ppm1=7.883 ppm2=1.822

assign ( resid 6 and name HN
  )
       ( resid 6 and name HB2
  ) 3.0 1.2 0.6 volume=1.447 peak=550 ppm1=9.001 ppm2=2.712

assign ( resid 12 and name HG2
  )
       ( resid 12 and name HN
  ) 3.9 2.1 0.8 volume=0.307 peak=1610 ppm1=2.040 ppm2=7.873

assign ( resid 15 and name HN
  )
       ( resid 14 and name HA
  ) 3.4 1.6 0.7 volume=0.708 peak=318 ppm1=7.346 ppm2=4.428

assign ( resid 3 and name HG2
  )
       ( resid 3 and name HB1
  ) 3.1 1.3 0.6 volume=1.273 peak=1136 ppm1=1.552 ppm2=1.235

assign ( resid 8 and name HB1
  )
       ( resid 26 and name HB1
  ) 4.2 2.4 0.8 volume=0.188 peak=1501 ppm1=2.236 ppm2=2.513

assign ( resid 7 and name HA
  )
       ( resid 9 and name HN
  ) 4.4 2.6 0.9 volume=0.145 peak=1177 ppm1=3.938 ppm2=7.918

assign ( resid 25 and name HB
  )
       ( resid 25 and name HG12
  or resid 25 and name HG11
  ) 3.2 1.4 0.6 volume=0.930 peak=1241 ppm1=1.598 ppm2=0.748

assign ( resid 22 and name HB2
  )
       ( resid 23 and name HA
  ) 4.1 2.3 0.8 volume=0.221 peak=1394 ppm1=2.748 ppm2=3.508

assign ( resid 7 and name HG2#
  )
       ( resid 7 and name HB
  ) 2.7 0.9 0.5 volume=2.849 peak=1373 ppm1=0.656 ppm2=1.692

assign ( resid 25 and name HN
  )
       ( resid 25 and name HA
  ) 3.4 1.6 0.7 volume=0.743 peak=163 ppm1=7.668 ppm2=3.825

assign ( resid 15 and name HB2
  )
       ( resid 18 and name HN
  ) 4.2 2.4 0.8 volume=0.193 peak=704 ppm1=2.571 ppm2=8.023

assign ( resid 17 and name HN
  )
       ( resid 17 and name HA1
  or resid 17 and name HA2
  ) 2.5 0.7 0.5 volume=4.481 peak=441 ppm1=8.256 ppm2=3.614

assign ( resid 5 and name HN
  )
       ( resid 4 and name HA
  ) 2.6 0.8 0.5 volume=3.404 peak=556 ppm1=8.425 ppm2=4.488

assign ( resid 21 and name HD2
  )
       ( resid 21 and name HN
  ) 4.0 2.2 0.8 volume=0.245 peak=1618 ppm1=3.011 ppm2=7.727

assign ( resid 15 and name HN
  )
       ( resid 4 and name HB2
  ) 3.4 1.6 0.7 volume=0.751 peak=325 ppm1=7.350 ppm2=2.735

assign ( resid 12 and name HG2
  )
       ( resid 13 and name HN
  ) 4.4 2.6 0.9 volume=0.139 peak=803 ppm1=2.037 ppm2=8.883

assign ( resid 23 and name HA
  )
       ( resid 22 and name HD2
  ) 3.2 1.4 0.6 volume=0.966 peak=1344 ppm1=3.509 ppm2=6.823

assign ( resid 7 and name HN
  )
       ( resid 7 and name HG2#
  ) 2.9 1.1 0.6 volume=1.746 peak=305 ppm1=8.662 ppm2=0.653

assign ( resid 26 and name HD2
  )
       ( resid 23 and name HG2#
  ) 3.2 1.4 0.6 volume=0.999 peak=5 ppm1=6.568 ppm2=1.215

assign ( resid 20 and name HN
  )
       ( resid 17 and name HA1
  or resid 17 and name HA2
  ) 3.8 2.0 0.8 volume=0.343 peak=172 ppm1=7.931 ppm2=3.593

assign ( resid 29 and name HG2
  )
       ( resid 29 and name HA
  ) 3.5 1.7 0.7 volume=0.587 peak=876 ppm1=2.112 ppm2=4.052

assign ( resid 25 and name HN
  )
       ( resid 24 and name HN
  ) 3.5 1.7 0.7 volume=0.538 peak=527 ppm1=7.674 ppm2=6.764

assign ( resid 5 and name HN
  )
       ( resid 5 and name HG2#
  ) 2.9 1.1 0.6 volume=1.974 peak=503 ppm1=8.423 ppm2=0.648

assign ( resid 18 and name HB#
  )
       ( resid 18 and name HN
  ) 2.9 1.1 0.6 volume=1.999 peak=817 ppm1=1.502 ppm2=8.026

assign ( resid 21 and name HN
  )
       ( resid 20 and name HN
  ) 2.9 1.1 0.6 volume=1.926 peak=408 ppm1=7.723 ppm2=7.904

assign ( resid 21 and name HG1
  or resid 21 and name HG2
  )
       ( resid 21 and name HD2
  ) 3.3 1.5 0.7 volume=0.863 peak=706 ppm1=1.363 ppm2=3.011

assign ( resid 29 and name HB2
  )
       ( resid 29 and name HN
  ) 3.3 1.5 0.7 volume=0.791 peak=889 ppm1=1.857 ppm2=7.885

assign ( resid 10 and name HB1
  )
       ( resid 10 and name HB2
  ) 2.3 0.5 0.5 volume=7.906 peak=1317 ppm1=2.336 ppm2=2.191

assign ( resid 13 and name HB1
  )
       ( resid 15 and name HN
  ) 3.7 1.9 0.7 volume=0.428 peak=714 ppm1=3.138 ppm2=7.339

assign ( resid 7 and name HG12
  or resid 7 and name HG11
  )
       ( resid 7 and name HB
  ) 3.0 1.2 0.6 volume=1.434 peak=958 ppm1=0.958 ppm2=1.695

assign ( resid 18 and name HN
  )
       ( resid 15 and name HB2
  ) 4.1 2.3 0.8 volume=0.237 peak=593 ppm1=8.038 ppm2=2.544

assign ( resid 8 and name HB1
  )
       ( resid 8 and name HB2
  ) 2.7 0.9 0.5 volume=2.727 peak=1279 ppm1=2.240 ppm2=1.777

assign ( resid 22 and name HN
  )
       ( resid 21 and name HB1
  ) 2.7 0.9 0.5 volume=2.493 peak=400 ppm1=7.371 ppm2=1.722

assign ( resid 13 and name HB2
  )
       ( resid 13 and name HB1
  ) 3.3 1.5 0.7 volume=0.814 peak=908 ppm1=2.578 ppm2=3.139

assign ( resid 13 and name HN
  )
       ( resid 12 and name HB2
  ) 3.5 1.7 0.7 volume=0.551 peak=411 ppm1=8.890 ppm2=1.596

assign ( resid 3 and name HG1
  )
       ( resid 4 and name HN
  ) 4.4 2.6 0.9 volume=0.141 peak=1597 ppm1=1.732 ppm2=7.712

assign ( resid 12 and name HA
  )
       ( resid 12 and name HN
  ) 4.9 3.1 1.0 volume=0.081 peak=1516 ppm1=4.867 ppm2=7.849

assign ( resid 25 and name HG2#
  )
       ( resid 25 and name HA
  ) 3.1 1.3 0.6 volume=1.268 peak=1039 ppm1=0.454 ppm2=3.829

assign ( resid 11 and name HB2
  )
       ( resid 11 and name HA
  ) 3.6 1.8 0.7 volume=0.472 peak=1420 ppm1=1.382 ppm2=3.920

assign ( resid 20 and name HG2
  )
       ( resid 20 and name HN
  ) 3.7 1.9 0.7 volume=0.408 peak=963 ppm1=2.287 ppm2=7.941

assign ( resid 11 and name HB1
  )
       ( resid 11 and name HD1
  ) 3.9 2.1 0.8 volume=0.303 peak=1523 ppm1=1.218 ppm2=2.984

assign ( resid 13 and name HD1 or resid 13 and name HD2
  )
       ( resid 6 and name HB2
  ) 3.6 1.8 0.7 volume=0.495 peak=37 ppm1=7.033 ppm2=2.746

assign ( resid 13 and name HN
  )
       ( resid 13 and name HB2
  ) 3.2 1.4 0.6 volume=0.997 peak=399 ppm1=8.890 ppm2=2.541

assign ( resid 7 and name HB
  )
       ( resid 7 and name HG12
  or resid 7 and name HG11
  ) 3.5 1.7 0.7 volume=0.583 peak=912 ppm1=1.714 ppm2=0.969

assign ( resid 11 and name HA
  )
       ( resid 12 and name HN
  ) 2.4 0.6 0.5 volume=5.123 peak=713 ppm1=3.953 ppm2=7.852

assign ( resid 26 and name HB2
  )
       ( resid 25 and name HG2#
  ) 4.6 2.8 0.9 volume=0.111 peak=1370 ppm1=2.636 ppm2=0.464

assign ( resid 25 and name HG2#
  )
       ( resid 25 and name HB
  ) 2.7 0.9 0.5 volume=2.506 peak=1045 ppm1=0.454 ppm2=1.572

assign ( resid 18 and name HA
  )
       ( resid 18 and name HN
  ) 3.1 1.3 0.6 volume=1.153 peak=1468 ppm1=3.857 ppm2=8.016

assign ( resid 7 and name HB
  )
       ( resid 7 and name HG2#
  ) 2.6 0.8 0.5 volume=3.720 peak=979 ppm1=1.715 ppm2=0.635

assign ( resid 22 and name HA
  )
       ( resid 22 and name HN
  ) 2.9 1.1 0.6 volume=2.001 peak=1134 ppm1=4.143 ppm2=7.392

assign ( resid 12 and name HN
  )
       ( resid 12 and name HG1
  ) 3.1 1.3 0.6 volume=1.130 peak=395 ppm1=7.860 ppm2=2.222

assign ( resid 26 and name HD2
  )
       ( resid 26 and name HB2
  ) 3.5 1.7 0.7 volume=0.561 peak=74 ppm1=6.572 ppm2=2.621

assign ( resid 21 and name HG1
  or resid 21 and name HG2
  )
       ( resid 21 and name HB1
  ) 2.5 0.7 0.5 volume=4.473 peak=1071 ppm1=1.363 ppm2=1.719

assign ( resid 26 and name HN
  )
       ( resid 25 and name HG12
  or resid 25 and name HG11
  ) 4.0 2.2 0.8 volume=0.255 peak=577 ppm1=7.272 ppm2=0.717

assign ( resid 21 and name HG1
  or resid 21 and name HG2
  )
       ( resid 21 and name HB2
  ) 2.4 0.6 0.5 volume=6.305 peak=1008 ppm1=1.364 ppm2=1.663

assign ( resid 21 and name HD1
  )
       ( resid 21 and name HA
  ) 3.8 2.0 0.8 volume=0.345 peak=909 ppm1=3.151 ppm2=3.825

assign ( resid 12 and name HN
  )
       ( resid 12 and name HB2
  ) 2.9 1.1 0.6 volume=1.692 peak=501 ppm1=7.858 ppm2=1.628

assign ( resid 24 and name HN
  )
       ( resid 23 and name HN
  ) 3.5 1.7 0.7 volume=0.587 peak=650 ppm1=6.760 ppm2=8.272

assign ( resid 10 and name HG2
  or resid 10 and name HG1
  )
       ( resid 10 and name HA
  ) 3.2 1.4 0.6 volume=0.988 peak=1487 ppm1=2.121 ppm2=3.884

assign ( resid 6 and name HB1
  )
       ( resid 6 and name HN
  ) 2.9 1.1 0.6 volume=1.643 peak=1197 ppm1=3.291 ppm2=9.002

assign ( resid 12 and name HN
  )
       ( resid 12 and name HB1
  ) 2.9 1.1 0.6 volume=1.751 peak=443 ppm1=7.857 ppm2=1.749

assign ( resid 17 and name HN
  )
       ( resid 18 and name HN
  ) 3.2 1.4 0.6 volume=1.074 peak=574 ppm1=8.251 ppm2=8.037

assign ( resid 14 and name HB#
  )
       ( resid 14 and name HA
  ) 3.8 2.0 0.8 volume=0.357 peak=1630 ppm1=1.449 ppm2=4.397

assign ( resid 7 and name HG12
  or resid 7 and name HG11
  )
       ( resid 7 and name HG2#
  ) 2.4 0.6 0.5 volume=5.417 peak=1092 ppm1=0.972 ppm2=0.655

assign ( resid 9 and name HN
  )
       ( resid 6 and name HB1
  ) 3.5 1.7 0.7 volume=0.547 peak=203 ppm1=7.940 ppm2=3.267

assign ( resid 29 and name HN
  )
       ( resid 28 and name HA2
  or resid 28 and name HA1
  ) 2.7 0.9 0.5 volume=2.787 peak=256 ppm1=7.881 ppm2=3.806

assign ( resid 21 and name HN
  )
       ( resid 20 and name HG1
  ) 3.6 1.8 0.7 volume=0.502 peak=413 ppm1=7.725 ppm2=2.207

assign ( resid 15 and name HN
  )
       ( resid 15 and name HA
  ) 3.1 1.3 0.6 volume=1.265 peak=571 ppm1=7.347 ppm2=4.693

assign ( resid 29 and name HB2
  )
       ( resid 27 and name HG2#
  ) 4.4 2.6 0.9 volume=0.143 peak=1101 ppm1=1.848 ppm2=1.045

assign ( resid 29 and name HN
  )
       ( resid 30 and name HN
  ) 3.0 1.2 0.6 volume=1.507 peak=209 ppm1=7.886 ppm2=8.064

assign ( resid 21 and name HA
  )
       ( resid 21 and name HN
  ) 2.8 1.0 0.6 volume=2.167 peak=1186 ppm1=3.825 ppm2=7.726

assign ( resid 17 and name HA1
  or resid 17 and name HA2
  )
       ( resid 18 and name HN
  ) 3.2 1.4 0.6 volume=1.059 peak=1185 ppm1=3.674 ppm2=8.020

assign ( resid 6 and name HA
  )
       ( resid 6 and name HB1
  ) 4.4 2.6 0.9 volume=0.154 peak=1292 ppm1=4.482 ppm2=3.259

assign ( resid 16 and name HD1
  )
       ( resid 16 and name HD2
  ) 2.9 1.1 0.6 volume=1.966 peak=1154 ppm1=3.081 ppm2=3.635

assign ( resid 22 and name HN
  )
       ( resid 21 and name HN
  ) 3.0 1.2 0.6 volume=1.531 peak=244 ppm1=7.367 ppm2=7.723

assign ( resid 12 and name HE21
  )
       ( resid 12 and name HG2
  ) 3.8 2.0 0.8 volume=0.368 peak=425 ppm1=7.489 ppm2=2.018

assign ( resid 28 and name HN
  )
       ( resid 27 and name HA
  ) 3.8 2.0 0.8 volume=0.360 peak=570 ppm1=8.106 ppm2=4.104

assign ( resid 4 and name HN
  )
       ( resid 5 and name HG1#
  ) 4.3 2.5 0.9 volume=0.171 peak=240 ppm1=7.732 ppm2=0.645

assign ( resid 7 and name HN
  )
       ( resid 7 and name HB
  ) 3.4 1.6 0.7 volume=0.651 peak=525 ppm1=8.660 ppm2=1.688

assign ( resid 7 and name HN
  )
       ( resid 8 and name HN
  ) 3.0 1.2 0.6 volume=1.428 peak=332 ppm1=8.657 ppm2=8.501

assign ( resid 19 and name HA
  )
       ( resid 22 and name HN
  ) 3.9 2.1 0.8 volume=0.287 peak=1126 ppm1=3.029 ppm2=7.368

assign ( resid 23 and name HB
  )
       ( resid 24 and name HN
  ) 3.7 1.9 0.7 volume=0.388 peak=671 ppm1=2.249 ppm2=6.773

assign ( resid 25 and name HN
  )
       ( resid 24 and name HA
  ) 3.8 2.0 0.8 volume=0.339 peak=223 ppm1=7.673 ppm2=3.970

assign ( resid 25 and name HA
  )
       ( resid 25 and name HG12
  or resid 25 and name HG11
  ) 3.8 2.0 0.8 volume=0.352 peak=837 ppm1=3.855 ppm2=0.755

assign ( resid 12 and name HB1
  )
       ( resid 12 and name HN
  ) 3.5 1.7 0.7 volume=0.571 peak=1133 ppm1=1.754 ppm2=7.874

assign ( resid 10 and name HN
  )
       ( resid 9 and name HA
  ) 3.6 1.8 0.7 volume=0.472 peak=109 ppm1=8.185 ppm2=5.018

assign ( resid 23 and name HB
  )
       ( resid 20 and name HA
  ) 4.0 2.2 0.8 volume=0.281 peak=1310 ppm1=2.245 ppm2=3.777

assign ( resid 7 and name HG12
  or resid 7 and name HG11
  )
       ( resid 7 and name HA
  ) 4.1 2.3 0.8 volume=0.216 peak=1486 ppm1=0.975 ppm2=3.911

assign ( resid 22 and name HN
  )
       ( resid 19 and name HA
  ) 2.9 1.1 0.6 volume=1.848 peak=433 ppm1=7.372 ppm2=2.995

assign ( resid 19 and name HB1
  )
       ( resid 16 and name HA
  ) 3.8 2.0 0.8 volume=0.378 peak=1368 ppm1=1.735 ppm2=3.449

assign ( resid 7 and name HD1#
  )
       ( resid 7 and name HG12
  or resid 7 and name HG11
  ) 2.7 0.9 0.5 volume=2.846 peak=786 ppm1=0.600 ppm2=0.950

assign ( resid 13 and name HN
  )
       ( resid 12 and name HG2
  ) 4.1 2.3 0.8 volume=0.221 peak=644 ppm1=8.885 ppm2=2.016

assign ( resid 8 and name HB1
  )
       ( resid 8 and name HN
  ) 3.7 1.9 0.7 volume=0.416 peak=1525 ppm1=2.240 ppm2=8.513

assign ( resid 4 and name HB1
  )
       ( resid 4 and name HB2
  ) 2.4 0.6 0.5 volume=5.179 peak=1263 ppm1=2.860 ppm2=2.733

assign ( resid 24 and name HN
  )
       ( resid 25 and name HN
  ) 3.4 1.6 0.7 volume=0.701 peak=192 ppm1=6.757 ppm2=7.687

assign ( resid 29 and name HG2
  )
       ( resid 29 and name HN
  ) 3.7 1.9 0.7 volume=0.446 peak=1056 ppm1=2.115 ppm2=7.885

assign ( resid 19 and name HB1
  )
       ( resid 19 and name HN
  ) 3.3 1.5 0.7 volume=0.767 peak=1326 ppm1=1.739 ppm2=6.801

assign ( resid 15 and name HN
  )
       ( resid 15 and name HB2
  ) 3.0 1.2 0.6 volume=1.371 peak=454 ppm1=7.347 ppm2=2.541

assign ( resid 13 and name HD1 or resid 13 and name HD2
  )
       ( resid 13 and name HN
  ) 3.5 1.7 0.7 volume=0.599 peak=72 ppm1=7.029 ppm2=8.891

assign ( resid 11 and name HB1
  )
       ( resid 6 and name HB1
  ) 4.4 2.6 0.9 volume=0.139 peak=1437 ppm1=1.212 ppm2=3.260

assign ( resid 22 and name HB2
  )
       ( resid 22 and name HB1
  ) 2.2 0.4 0.4 volume=9.200 peak=785 ppm1=2.721 ppm2=2.914

assign ( resid 11 and name HB2
  )
       ( resid 11 and name HB1
  ) 2.3 0.5 0.5 volume=6.931 peak=1573 ppm1=1.381 ppm2=1.209

assign ( resid 19 and name HN
  )
       ( resid 19 and name HD2#
  ) 3.3 1.5 0.7 volume=0.878 peak=360 ppm1=6.803 ppm2=0.853

assign ( resid 3 and name HA
  )
       ( resid 4 and name HN
  ) 3.3 1.5 0.7 volume=0.781 peak=1671 ppm1=4.195 ppm2=7.736

assign ( resid 25 and name HB
  )
       ( resid 25 and name HA
  ) 3.0 1.2 0.6 volume=1.479 peak=675 ppm1=1.594 ppm2=3.833

assign ( resid 10 and name HB1
  )
       ( resid 11 and name HN
  ) 4.7 2.9 0.9 volume=0.101 peak=1546 ppm1=2.332 ppm2=7.843

assign ( resid 12 and name HE22
  )
       ( resid 5 and name HG1#
  or resid 5 and name HG2#
  ) 4.1 2.3 0.8 volume=0.231 peak=412 ppm1=6.630 ppm2=0.639

assign ( resid 21 and name HN
  )
       ( resid 19 and name HA
  ) 3.6 1.8 0.7 volume=0.490 peak=470 ppm1=7.724 ppm2=2.990

assign ( resid 26 and name HD2
  )
       ( resid 8 and name HN
  ) 4.7 2.9 0.9 volume=0.103 peak=77 ppm1=6.566 ppm2=8.486

assign ( resid 19 and name HN
  )
       ( resid 18 and name HA
  ) 3.5 1.7 0.7 volume=0.627 peak=516 ppm1=6.802 ppm2=3.810

assign ( resid 4 and name HN
  )
       ( resid 4 and name HD1 or resid 4 and name HD2
  ) 3.4 1.6 0.7 volume=0.667 peak=292 ppm1=7.728 ppm2=6.866

assign ( resid 26 and name HB1
  )
       ( resid 27 and name HN
  ) 4.6 2.8 0.9 volume=0.118 peak=1679 ppm1=2.533 ppm2=7.566

assign ( resid 26 and name HB2
  )
       ( resid 26 and name HN
  ) 3.7 1.9 0.7 volume=0.396 peak=684 ppm1=2.632 ppm2=7.286

assign ( resid 11 and name HB2
  )
       ( resid 6 and name HB2
  ) 3.8 2.0 0.8 volume=0.344 peak=1555 ppm1=1.382 ppm2=2.737

assign ( resid 24 and name HG2
  )
       ( resid 24 and name HD2
  ) 3.0 1.2 0.6 volume=1.621 peak=853 ppm1=1.550 ppm2=3.055

assign ( resid 7 and name HG2#
  )
       ( resid 7 and name HG12
  or resid 7 and name HG11
  ) 2.7 0.9 0.5 volume=2.657 peak=1452 ppm1=0.657 ppm2=0.967

assign ( resid 6 and name HN
  )
       ( resid 19 and name HD2#
  ) 3.5 1.7 0.7 volume=0.603 peak=481 ppm1=9.001 ppm2=0.865

assign ( resid 26 and name HD2
  )
       ( resid 23 and name HA
  ) 2.8 1.0 0.6 volume=2.146 peak=93 ppm1=6.575 ppm2=3.485

assign ( resid 4 and name HN
  )
       ( resid 5 and name HN
  ) 4.0 2.2 0.8 volume=0.269 peak=523 ppm1=7.732 ppm2=8.402

assign ( resid 10 and name HN
  )
       ( resid 9 and name HB2
  ) 3.6 1.8 0.7 volume=0.496 peak=389 ppm1=8.191 ppm2=2.734

assign ( resid 12 and name HG1
  )
       ( resid 12 and name HE21
  ) 3.2 1.4 0.6 volume=1.021 peak=857 ppm1=2.260 ppm2=7.486

assign ( resid 24 and name HG2
  )
       ( resid 24 and name HA
  ) 3.3 1.5 0.7 volume=0.772 peak=688 ppm1=1.544 ppm2=3.972

assign ( resid 22 and name HD2
  )
       ( resid 6 and name HB2
  ) 3.3 1.5 0.7 volume=0.877 peak=95 ppm1=6.850 ppm2=2.753

assign ( resid 15 and name HB1
  )
       ( resid 14 and name HB#
  ) 3.7 1.9 0.7 volume=0.448 peak=1489 ppm1=2.700 ppm2=1.434

assign ( resid 22 and name HB1
  )
       ( resid 22 and name HA
  ) 3.6 1.8 0.7 volume=0.455 peak=1418 ppm1=2.915 ppm2=4.111

assign ( resid 7 and name HA
  )
       ( resid 7 and name HG12
  or resid 7 and name HG11
  ) 3.2 1.4 0.6 volume=0.983 peak=1480 ppm1=3.946 ppm2=0.966

assign ( resid 16 and name HD2
  )
       ( resid 16 and name HD1
  ) 2.7 0.9 0.5 volume=2.997 peak=1641 ppm1=3.654 ppm2=3.063

assign ( resid 8 and name HN
  )
       ( resid 7 and name HD1#
  ) 3.5 1.7 0.7 volume=0.554 peak=236 ppm1=8.495 ppm2=0.594

assign ( resid 26 and name HN
  )
       ( resid 27 and name HN
  ) 3.1 1.3 0.6 volume=1.115 peak=101 ppm1=7.276 ppm2=7.542

assign ( resid 10 and name HE22
  )
       ( resid 10 and name HG2
  or resid 10 and name HG1
  ) 4.0 2.2 0.8 volume=0.275 peak=261 ppm1=6.362 ppm2=2.082

assign ( resid 8 and name HN
  )
       ( resid 9 and name HN
  ) 3.2 1.4 0.6 volume=0.988 peak=229 ppm1=8.499 ppm2=7.938

assign ( resid 11 and name HN
  )
       ( resid 6 and name HB2
  ) 3.4 1.6 0.7 volume=0.659 peak=538 ppm1=7.838 ppm2=2.738

assign ( resid 25 and name HG12
  or resid 25 and name HG11
  )
       ( resid 25 and name HA
  ) 3.8 2.0 0.8 volume=0.334 peak=939 ppm1=0.785 ppm2=3.838

assign ( resid 5 and name HB
  )
       ( resid 5 and name HN
  ) 3.3 1.5 0.7 volume=0.873 peak=1273 ppm1=1.717 ppm2=8.426

assign ( resid 19 and name HA
  )
       ( resid 19 and name HB2
  ) 3.2 1.4 0.6 volume=1.026 peak=865 ppm1=3.025 ppm2=1.027

assign ( resid 26 and name HB1
  )
       ( resid 25 and name HG2#
  ) 5.0 3.2 1.0 volume=0.066 peak=1302 ppm1=2.525 ppm2=0.464

assign ( resid 19 and name HN
  )
       ( resid 20 and name HN
  ) 3.1 1.3 0.6 volume=1.255 peak=248 ppm1=6.802 ppm2=7.928

assign ( resid 20 and name HG1
  )
       ( resid 20 and name HN
  ) 3.8 2.0 0.8 volume=0.372 peak=1159 ppm1=2.208 ppm2=7.941

assign ( resid 4 and name HB2
  )
       ( resid 4 and name HN
  ) 3.5 1.7 0.7 volume=0.587 peak=1220 ppm1=2.734 ppm2=7.736

assign ( resid 22 and name HA
  )
       ( resid 25 and name HN
  ) 4.5 2.7 0.9 volume=0.132 peak=901 ppm1=4.139 ppm2=7.683

assign ( resid 10 and name HN
  )
       ( resid 11 and name HN
  ) 3.0 1.2 0.6 volume=1.487 peak=128 ppm1=8.185 ppm2=7.845

assign ( resid 12 and name HE22
  )
       ( resid 12 and name HE21
  ) 2.2 0.4 0.4 volume=8.334 peak=257 ppm1=6.632 ppm2=7.489

assign ( resid 22 and name HN
  )
       ( resid 20 and name HA
  ) 3.3 1.5 0.7 volume=0.886 peak=442 ppm1=7.369 ppm2=3.778

assign ( resid 21 and name HN
  )
       ( resid 23 and name HN
  ) 3.8 2.0 0.8 volume=0.347 peak=549 ppm1=7.722 ppm2=8.272

assign ( resid 21 and name HD1
  )
       ( resid 21 and name HN
  ) 4.6 2.8 0.9 volume=0.120 peak=1606 ppm1=3.165 ppm2=7.734

assign ( resid 11 and name HN
  )
       ( resid 10 and name HN
  ) 3.3 1.5 0.7 volume=0.779 peak=313 ppm1=7.844 ppm2=8.192

assign ( resid 3 and name HB2
  )
       ( resid 3 and name HA
  ) 3.3 1.5 0.7 volume=0.816 peak=802 ppm1=1.919 ppm2=4.170

assign ( resid 29 and name HA
  )
       ( resid 29 and name HG2
  ) 3.0 1.2 0.6 volume=1.355 peak=1494 ppm1=4.058 ppm2=2.117

assign ( resid 14 and name HB#
  )
       ( resid 15 and name HB2
  ) 3.7 1.9 0.7 volume=0.416 peak=1639 ppm1=1.451 ppm2=2.550

assign ( resid 25 and name HG2#
  )
       ( resid 26 and name HB2
  ) 4.5 2.7 0.9 volume=0.129 peak=1175 ppm1=0.456 ppm2=2.649

assign ( resid 22 and name HA
  )
       ( resid 23 and name HN
  ) 3.6 1.8 0.7 volume=0.489 peak=1232 ppm1=4.143 ppm2=8.280

assign ( resid 4 and name HA
  )
       ( resid 5 and name HN
  ) 4.0 2.2 0.8 volume=0.259 peak=1386 ppm1=4.510 ppm2=8.424

assign ( resid 11 and name HN
  )
       ( resid 10 and name HA
  ) 3.1 1.3 0.6 volume=1.328 peak=159 ppm1=7.839 ppm2=3.857

assign ( resid 21 and name HN
  )
       ( resid 20 and name HA
  ) 2.7 0.9 0.5 volume=2.557 peak=493 ppm1=7.725 ppm2=3.776

assign ( resid 9 and name HN
  )
       ( resid 9 and name HB1
  ) 3.5 1.7 0.7 volume=0.574 peak=364 ppm1=7.942 ppm2=3.327

assign ( resid 13 and name HN
  )
       ( resid 12 and name HN
  ) 4.5 2.7 0.9 volume=0.131 peak=555 ppm1=8.893 ppm2=7.866

assign ( resid 14 and name HB#
  )
       ( resid 14 and name HN
  ) 4.0 2.2 0.8 volume=0.264 peak=1617 ppm1=1.450 ppm2=8.968

assign ( resid 10 and name HE21
  )
       ( resid 10 and name HG2
  or resid 10 and name HG1
  ) 3.5 1.7 0.7 volume=0.614 peak=322 ppm1=7.089 ppm2=2.085

assign ( resid 24 and name HG2
  )
       ( resid 24 and name HN
  ) 3.3 1.5 0.7 volume=0.781 peak=1155 ppm1=1.551 ppm2=6.762

assign ( resid 26 and name HE1
  )
       ( resid 9 and name HB1
  ) 3.5 1.7 0.7 volume=0.597 peak=48 ppm1=7.931 ppm2=3.341

assign ( resid 3 and name HB2
  )
       ( resid 3 and name HB1
  ) 2.4 0.6 0.5 volume=5.413 peak=1511 ppm1=1.917 ppm2=1.235

assign ( resid 7 and name HG12
  or resid 7 and name HG11
  )
       ( resid 7 and name HN
  ) 3.5 1.7 0.7 volume=0.573 peak=1184 ppm1=0.970 ppm2=8.662

assign ( resid 10 and name HA
  )
       ( resid 10 and name HN
  ) 2.7 0.9 0.5 volume=2.603 peak=1245 ppm1=3.901 ppm2=8.200

assign ( resid 22 and name HB2
  )
       ( resid 22 and name HD2
  ) 3.7 1.9 0.7 volume=0.398 peak=1403 ppm1=2.720 ppm2=6.840

assign ( resid 22 and name HN
  )
       ( resid 25 and name HG12
  or resid 25 and name HG11
  ) 3.9 2.1 0.8 volume=0.320 peak=170 ppm1=7.367 ppm2=0.777

assign ( resid 10 and name HB1
  )
       ( resid 10 and name HN
  ) 4.2 2.4 0.8 volume=0.190 peak=868 ppm1=2.328 ppm2=8.198

assign ( resid 10 and name HN
  )
       ( resid 10 and name HG2
  or resid 10 and name HG1
  ) 3.2 1.4 0.6 volume=1.049 peak=596 ppm1=8.184 ppm2=2.109

assign ( resid 21 and name HN
  )
       ( resid 18 and name HA
  ) 2.7 0.9 0.5 volume=2.557 peak=564 ppm1=7.724 ppm2=3.806

assign ( resid 15 and name HN
  )
       ( resid 14 and name HB#
  ) 2.9 1.1 0.6 volume=1.993 peak=640 ppm1=7.348 ppm2=1.434

assign ( resid 9 and name HN
  )
       ( resid 10 and name HN
  ) 2.9 1.1 0.6 volume=1.918 peak=329 ppm1=7.941 ppm2=8.195

assign ( resid 22 and name HB2
  )
       ( resid 19 and name HD1#
  ) 3.8 2.0 0.8 volume=0.368 peak=1144 ppm1=2.720 ppm2=0.783

assign ( resid 26 and name HD2
  )
       ( resid 26 and name HB1
  ) 3.6 1.8 0.7 volume=0.532 peak=64 ppm1=6.570 ppm2=2.519

assign ( resid 21 and name HN
  )
       ( resid 21 and name HG1
  or resid 21 and name HG2
  ) 3.4 1.6 0.7 volume=0.730 peak=628 ppm1=7.724 ppm2=1.337

assign ( resid 25 and name HD1#
  )
       ( resid 25 and name HB
  ) 2.9 1.1 0.6 volume=1.820 peak=776 ppm1=0.546 ppm2=1.571

assign ( resid 12 and name HG2
  )
       ( resid 5 and name HG1#
  ) 3.3 1.5 0.7 volume=0.830 peak=825 ppm1=2.040 ppm2=0.638

assign ( resid 27 and name HA
  )
       ( resid 28 and name HN
  ) 4.2 2.4 0.8 volume=0.184 peak=1208 ppm1=4.155 ppm2=8.118

assign ( resid 26 and name HB1
  )
       ( resid 27 and name HG2#
  ) 4.4 2.6 0.9 volume=0.141 peak=1314 ppm1=2.524 ppm2=1.068

assign ( resid 4 and name HB1
  )
       ( resid 19 and name HB1
  ) 3.8 2.0 0.8 volume=0.379 peak=1592 ppm1=2.861 ppm2=1.727

assign ( resid 20 and name HA
  )
       ( resid 23 and name HN
  ) 4.2 2.4 0.8 volume=0.207 peak=1517 ppm1=3.816 ppm2=8.279

assign ( resid 15 and name HB1
  )
       ( resid 17 and name HA1
  or resid 17 and name HA2
  ) 3.2 1.4 0.6 volume=0.931 peak=1473 ppm1=2.697 ppm2=3.619

assign ( resid 22 and name HA
  )
       ( resid 22 and name HB2
  ) 2.6 0.8 0.5 volume=3.730 peak=1150 ppm1=4.145 ppm2=2.733

assign ( resid 20 and name HN
  )
       ( resid 20 and name HG1
  ) 3.4 1.6 0.7 volume=0.725 peak=337 ppm1=7.926 ppm2=2.217

assign ( resid 12 and name HE22
  )
       ( resid 12 and name HG2
  ) 3.9 2.1 0.8 volume=0.290 peak=497 ppm1=6.631 ppm2=2.020

assign ( resid 11 and name HN
  )
       ( resid 5 and name HB
  ) 3.2 1.4 0.6 volume=0.958 peak=123 ppm1=7.837 ppm2=1.700

assign ( resid 9 and name HN
  )
       ( resid 10 and name HA
  ) 3.6 1.8 0.7 volume=0.495 peak=255 ppm1=7.939 ppm2=3.862

assign ( resid 3 and name HD2
  )
       ( resid 3 and name HB1
  ) 3.4 1.6 0.7 volume=0.749 peak=1038 ppm1=3.602 ppm2=1.231

assign ( resid 13 and name HD1 or resid 13 and name HD2
  )
       ( resid 13 and name HB2
  ) 3.4 1.6 0.7 volume=0.745 peak=11 ppm1=7.033 ppm2=2.579

assign ( resid 3 and name HG1
  )
       ( resid 3 and name HD2
  ) 3.0 1.2 0.6 volume=1.475 peak=718 ppm1=1.741 ppm2=3.584

assign ( resid 25 and name HD1#
  )
       ( resid 26 and name HN
  ) 4.3 2.5 0.9 volume=0.171 peak=962 ppm1=0.546 ppm2=7.296

assign ( resid 19 and name HN
  )
       ( resid 17 and name HN
  ) 3.7 1.9 0.7 volume=0.425 peak=494 ppm1=6.803 ppm2=8.253

assign ( resid 30 and name HN
  )
       ( resid 30 and name HA
  ) 3.6 1.8 0.7 volume=0.464 peak=598 ppm1=8.078 ppm2=4.434

assign ( resid 20 and name HA
  )
       ( resid 20 and name HN
  ) 2.6 0.8 0.5 volume=3.602 peak=813 ppm1=3.812 ppm2=7.934

assign ( resid 17 and name HA1
  or resid 17 and name HA2
  )
       ( resid 19 and name HN
  ) 4.4 2.6 0.9 volume=0.157 peak=863 ppm1=3.651 ppm2=6.810

assign ( resid 6 and name HA
  )
       ( resid 6 and name HB2
  ) 4.0 2.2 0.8 volume=0.270 peak=1044 ppm1=4.482 ppm2=2.734

assign ( resid 10 and name HB1
  )
       ( resid 10 and name HG2
  or resid 10 and name HG1
  ) 2.3 0.5 0.5 volume=7.985 peak=970 ppm1=2.336 ppm2=2.120

assign ( resid 23 and name HB
  )
       ( resid 23 and name HA
  ) 3.4 1.6 0.7 volume=0.750 peak=1340 ppm1=2.248 ppm2=3.486

assign ( resid 26 and name HD2
  )
       ( resid 26 and name HE1
  ) 4.1 2.3 0.8 volume=0.226 peak=94 ppm1=6.576 ppm2=7.943

assign ( resid 21 and name HA
  )
       ( resid 21 and name HB2
  ) 2.5 0.7 0.5 volume=4.120 peak=1428 ppm1=3.826 ppm2=1.648

assign ( resid 13 and name HD1 or resid 13 and name HD2
  )
       ( resid 19 and name HD1#
  ) 3.3 1.5 0.7 volume=0.879 peak=53 ppm1=7.030 ppm2=0.788

assign ( resid 29 and name HA
  )
       ( resid 29 and name HB2
  ) 2.6 0.8 0.5 volume=3.170 peak=812 ppm1=4.058 ppm2=1.833

assign ( resid 25 and name HA
  )
       ( resid 26 and name HN
  ) 3.8 2.0 0.8 volume=0.353 peak=1099 ppm1=3.856 ppm2=7.284

assign ( resid 10 and name HB2
  )
       ( resid 10 and name HA
  ) 3.5 1.7 0.7 volume=0.604 peak=1619 ppm1=2.189 ppm2=3.877

assign ( resid 7 and name HD1#
  )
       ( resid 7 and name HB
  ) 3.0 1.2 0.6 volume=1.574 peak=1052 ppm1=0.600 ppm2=1.696

assign ( resid 10 and name HN
  )
       ( resid 8 and name HN
  ) 3.8 2.0 0.8 volume=0.377 peak=489 ppm1=8.183 ppm2=8.483

assign ( resid 20 and name HA
  )
       ( resid 20 and name HG1
  ) 3.1 1.3 0.6 volume=1.266 peak=1003 ppm1=3.801 ppm2=2.210

assign ( resid 21 and name HN
  )
       ( resid 21 and name HB2
  ) 2.5 0.7 0.5 volume=4.743 peak=499 ppm1=7.726 ppm2=1.661

assign ( resid 12 and name HE21
  )
       ( resid 12 and name HE22
  ) 2.2 0.4 0.4 volume=8.396 peak=125 ppm1=7.488 ppm2=6.637

assign ( resid 7 and name HG2#
  )
       ( resid 7 and name HA
  ) 3.1 1.3 0.6 volume=1.252 peak=819 ppm1=0.657 ppm2=3.909

assign ( resid 25 and name HN
  )
       ( resid 26 and name HN
  ) 3.2 1.4 0.6 volume=0.923 peak=356 ppm1=7.674 ppm2=7.293

assign ( resid 23 and name HN
  )
       ( resid 22 and name HA
  ) 3.0 1.2 0.6 volume=1.377 peak=407 ppm1=8.256 ppm2=4.106

assign ( resid 5 and name HB
  )
       ( resid 10 and name HA
  ) 4.4 2.6 0.9 volume=0.142 peak=1306 ppm1=1.714 ppm2=3.875

assign ( resid 20 and name HN
  )
       ( resid 19 and name HB2
  ) 3.7 1.9 0.7 volume=0.393 peak=446 ppm1=7.929 ppm2=1.037

assign ( resid 11 and name HA
  )
       ( resid 11 and name HB1
  ) 2.7 0.9 0.5 volume=2.840 peak=799 ppm1=3.950 ppm2=1.218

assign ( resid 26 and name HN
  )
       ( resid 26 and name HB1
  ) 3.2 1.4 0.6 volume=0.938 peak=576 ppm1=7.273 ppm2=2.511

assign ( resid 25 and name HG2#
  )
       ( resid 26 and name HN
  ) 3.9 2.1 0.8 volume=0.285 peak=1631 ppm1=0.454 ppm2=7.294

assign ( resid 22 and name HA
  )
       ( resid 25 and name HG12
  or resid 25 and name HG11
  ) 4.2 2.4 0.8 volume=0.205 peak=1187 ppm1=4.143 ppm2=0.752

assign ( resid 15 and name HB2
  )
       ( resid 18 and name HB#
  ) 3.4 1.6 0.7 volume=0.753 peak=1291 ppm1=2.578 ppm2=1.492

assign ( resid 8 and name HB1
  )
       ( resid 9 and name HN
  ) 3.8 2.0 0.8 volume=0.372 peak=1248 ppm1=2.242 ppm2=7.947

assign ( resid 18 and name HN
  )
       ( resid 19 and name HN
  ) 3.4 1.6 0.7 volume=0.739 peak=258 ppm1=8.025 ppm2=6.797

assign ( resid 7 and name HB
  )
       ( resid 7 and name HA
  ) 3.0 1.2 0.6 volume=1.362 peak=1656 ppm1=1.717 ppm2=3.908

assign ( resid 4 and name HN
  )
       ( resid 4 and name HB2
  ) 3.0 1.2 0.6 volume=1.344 peak=524 ppm1=7.731 ppm2=2.694

assign ( resid 18 and name HN
  )
       ( resid 18 and name HA
  ) 3.3 1.5 0.7 volume=0.860 peak=336 ppm1=8.034 ppm2=3.803

assign ( resid 12 and name HB2
  )
       ( resid 12 and name HN
  ) 3.4 1.6 0.7 volume=0.732 peak=1100 ppm1=1.638 ppm2=7.876

assign ( resid 6 and name HN
  )
       ( resid 6 and name HA
  ) 3.2 1.4 0.6 volume=0.933 peak=207 ppm1=9.003 ppm2=4.464

assign ( resid 12 and name HA
  )
       ( resid 13 and name HN
  ) 3.6 1.8 0.7 volume=0.472 peak=1247 ppm1=4.865 ppm2=8.886

assign ( resid 30 and name HN
  )
       ( resid 29 and name HA
  ) 2.9 1.1 0.6 volume=1.702 peak=419 ppm1=8.075 ppm2=4.030

assign ( resid 6 and name HB2
  )
       ( resid 9 and name HN
  ) 3.4 1.6 0.7 volume=0.664 peak=1256 ppm1=2.744 ppm2=7.944

assign ( resid 9 and name HA
  )
       ( resid 9 and name HB1
  ) 2.9 1.1 0.6 volume=1.807 peak=1445 ppm1=5.076 ppm2=3.328

assign ( resid 13 and name HB1
  )
       ( resid 13 and name HN
  ) 4.0 2.2 0.8 volume=0.279 peak=735 ppm1=3.136 ppm2=8.901

assign ( resid 5 and name HB
  )
       ( resid 5 and name HG1#
  or resid 5 and name HG2#
  ) 2.3 0.5 0.5 volume=6.578 peak=1125 ppm1=1.716 ppm2=0.642

assign ( resid 25 and name HN
  )
       ( resid 25 and name HB
  ) 3.0 1.2 0.6 volume=1.456 peak=116 ppm1=7.682 ppm2=1.577

assign ( resid 8 and name HN
  )
       ( resid 26 and name HD2
  ) 4.5 2.7 0.9 volume=0.128 peak=220 ppm1=8.505 ppm2=6.584

assign ( resid 15 and name HB1
  )
       ( resid 18 and name HN
  ) 4.3 2.5 0.9 volume=0.165 peak=1264 ppm1=2.698 ppm2=8.023

assign ( resid 5 and name HN
  )
       ( resid 5 and name HA
  ) 3.1 1.3 0.6 volume=1.117 peak=432 ppm1=8.425 ppm2=4.626

assign ( resid 22 and name HD2
  )
       ( resid 22 and name HB1
  ) 3.8 2.0 0.8 volume=0.378 peak=34 ppm1=6.850 ppm2=2.915

assign ( resid 7 and name HG2#
  )
       ( resid 7 and name HN
  ) 3.1 1.3 0.6 volume=1.252 peak=1367 ppm1=0.657 ppm2=8.652

assign ( resid 22 and name HN
  )
       ( resid 22 and name HB2
  ) 2.8 1.0 0.6 volume=2.058 peak=642 ppm1=7.368 ppm2=2.676

assign ( resid 4 and name HB2
  )
       ( resid 4 and name HB1
  ) 2.6 0.8 0.5 volume=3.703 peak=1251 ppm1=2.734 ppm2=2.849

assign ( resid 5 and name HN
  )
       ( resid 4 and name HN
  ) 4.4 2.6 0.9 volume=0.142 peak=302 ppm1=8.418 ppm2=7.732

assign ( resid 18 and name HB#
  )
       ( resid 13 and name HD1 or resid 13 and name HD2
  ) 3.0 1.2 0.6 volume=1.391 peak=731 ppm1=1.503 ppm2=7.035

assign ( resid 28 and name HA2
  )
       ( resid 28 and name HN
  ) 3.6 1.8 0.7 volume=0.517 peak=944 ppm1=3.889 ppm2=8.113

assign ( resid 21 and name HD2
  )
       ( resid 21 and name HA
  ) 3.4 1.6 0.7 volume=0.732 peak=1581 ppm1=3.012 ppm2=3.824

assign ( resid 4 and name HB2
  )
       ( resid 5 and name HN
  ) 4.2 2.4 0.8 volume=0.196 peak=1070 ppm1=2.735 ppm2=8.426

assign ( resid 15 and name HN
  )
       ( resid 14 and name HN
  ) 3.7 1.9 0.7 volume=0.451 peak=390 ppm1=7.347 ppm2=8.959

assign ( resid 3 and name HB2
  )
       ( resid 5 and name HG1#
  or resid 5 and name HG2#
  ) 4.1 2.3 0.8 volume=0.229 peak=995 ppm1=1.913 ppm2=0.653

assign ( resid 22 and name HD2
  )
       ( resid 22 and name HB2
  ) 3.4 1.6 0.7 volume=0.702 peak=71 ppm1=6.851 ppm2=2.719

assign ( resid 26 and name HN
  )
       ( resid 25 and name HN
  ) 3.2 1.4 0.6 volume=1.066 peak=359 ppm1=7.275 ppm2=7.682

assign ( resid 7 and name HB
  )
       ( resid 7 and name HN
  ) 3.5 1.7 0.7 volume=0.565 peak=1666 ppm1=1.716 ppm2=8.662

assign ( resid 8 and name HB2
  )
       ( resid 26 and name HB1
  ) 4.2 2.4 0.8 volume=0.195 peak=672 ppm1=1.805 ppm2=2.513

assign ( resid 8 and name HB1
  )
       ( resid 26 and name HD2
  ) 4.5 2.7 0.9 volume=0.123 peak=1542 ppm1=2.249 ppm2=6.563

assign ( resid 10 and name HG2
  or resid 10 and name HG1
  )
       ( resid 10 and name HE22
  ) 4.2 2.4 0.8 volume=0.202 peak=839 ppm1=2.122 ppm2=6.362

assign ( resid 3 and name HB1
  )
       ( resid 3 and name HA
  ) 3.6 1.8 0.7 volume=0.479 peak=910 ppm1=1.230 ppm2=4.167

assign ( resid 5 and name HN
  )
       ( resid 19 and name HD2#
  ) 3.2 1.4 0.6 volume=0.931 peak=466 ppm1=8.424 ppm2=0.913

assign ( resid 26 and name HD2
  )
       ( resid 8 and name HB1
  ) 3.7 1.9 0.7 volume=0.430 peak=76 ppm1=6.570 ppm2=2.213

assign ( resid 28 and name HA1
  )
       ( resid 28 and name HN
  ) 3.7 1.9 0.7 volume=0.419 peak=1429 ppm1=3.815 ppm2=8.113

assign ( resid 11 and name HN
  )
       ( resid 11 and name HB1
  ) 2.9 1.1 0.6 volume=1.752 peak=515 ppm1=7.839 ppm2=1.197

assign ( resid 23 and name HN
  )
       ( resid 23 and name HB
  ) 3.7 1.9 0.7 volume=0.452 peak=372 ppm1=8.260 ppm2=2.221

assign ( resid 22 and name HB1
  )
       ( resid 22 and name HD2
  ) 3.5 1.7 0.7 volume=0.539 peak=742 ppm1=2.913 ppm2=6.841

assign ( resid 20 and name HG1
  )
       ( resid 20 and name HA
  ) 3.7 1.9 0.7 volume=0.447 peak=928 ppm1=2.210 ppm2=3.789

assign ( resid 25 and name HG12
  or resid 25 and name HG11
  )
       ( resid 25 and name HN
  ) 3.6 1.8 0.7 volume=0.480 peak=683 ppm1=0.767 ppm2=7.688

assign ( resid 9 and name HB2
  )
       ( resid 9 and name HB1
  ) 2.4 0.6 0.5 volume=5.599 peak=1554 ppm1=2.752 ppm2=3.328

assign ( resid 6 and name HB1
  )
       ( resid 22 and name HD2
  ) 3.3 1.5 0.7 volume=0.855 peak=849 ppm1=3.286 ppm2=6.852

assign ( resid 24 and name HN
  )
       ( resid 20 and name HA
  ) 3.7 1.9 0.7 volume=0.411 peak=511 ppm1=6.755 ppm2=3.778

assign ( resid 12 and name HG1
  )
       ( resid 13 and name HN
  ) 4.5 2.7 0.9 volume=0.136 peak=1090 ppm1=2.261 ppm2=8.880

assign ( resid 7 and name HD1#
  )
       ( resid 7 and name HA
  ) 3.7 1.9 0.7 volume=0.429 peak=1513 ppm1=0.600 ppm2=3.909

assign ( resid 11 and name HB2
  )
       ( resid 11 and name HD1
  ) 4.0 2.2 0.8 volume=0.257 peak=1531 ppm1=1.380 ppm2=2.984

assign ( resid 8 and name HN
  )
       ( resid 10 and name HN
  ) 4.1 2.3 0.8 volume=0.226 peak=479 ppm1=8.496 ppm2=8.174

assign ( resid 4 and name HD1 or resid 4 and name HD2
  )
       ( resid 16 and name HD2
  ) 3.7 1.9 0.7 volume=0.412 peak=85 ppm1=6.874 ppm2=3.627

assign ( resid 9 and name HN
  )
       ( resid 8 and name HN
  ) 3.2 1.4 0.6 volume=0.938 peak=521 ppm1=7.940 ppm2=8.486

assign ( resid 30 and name HN
  )
       ( resid 29 and name HB2
  ) 3.4 1.6 0.7 volume=0.743 peak=388 ppm1=8.075 ppm2=1.831

assign ( resid 12 and name HG1
  )
       ( resid 12 and name HN
  ) 3.4 1.6 0.7 volume=0.644 peak=1689 ppm1=2.264 ppm2=7.874

assign ( resid 27 and name HA
  )
       ( resid 27 and name HG2#
  ) 3.0 1.2 0.6 volume=1.577 peak=687 ppm1=4.155 ppm2=1.067

assign ( resid 9 and name HB2
  )
       ( resid 8 and name HB1
  ) 4.5 2.7 0.9 volume=0.137 peak=1479 ppm1=2.747 ppm2=2.219

assign ( resid 10 and name HN
  )
       ( resid 9 and name HN
  ) 2.7 0.9 0.5 volume=2.554 peak=393 ppm1=8.187 ppm2=7.945

assign ( resid 8 and name HB2
  )
       ( resid 8 and name HB1
  ) 2.6 0.8 0.5 volume=3.288 peak=1021 ppm1=1.809 ppm2=2.198

assign ( resid 11 and name HN
  )
       ( resid 11 and name HA
  ) 2.9 1.1 0.6 volume=1.647 peak=507 ppm1=7.842 ppm2=3.930

assign ( resid 4 and name HD1 or resid 4 and name HD2
  )
       ( resid 4 and name HB1
  ) 2.8 1.0 0.6 volume=2.444 peak=96 ppm1=6.874 ppm2=2.861

assign ( resid 26 and name HN
  )
       ( resid 26 and name HB2
  ) 3.2 1.4 0.6 volume=1.004 peak=228 ppm1=7.270 ppm2=2.603

assign ( resid 9 and name HB1
  )
       ( resid 9 and name HN
  ) 2.9 1.1 0.6 volume=1.750 peak=1417 ppm1=3.356 ppm2=7.937

assign ( resid 19 and name HA
  )
       ( resid 22 and name HB2
  ) 3.4 1.6 0.7 volume=0.738 peak=1259 ppm1=3.025 ppm2=2.741

assign ( resid 29 and name HA
  )
       ( resid 29 and name HG1
  ) 3.0 1.2 0.6 volume=1.355 peak=769 ppm1=4.058 ppm2=2.163

assign ( resid 29 and name HA
  )
       ( resid 29 and name HN
  ) 3.5 1.7 0.7 volume=0.616 peak=710 ppm1=4.063 ppm2=7.885

assign ( resid 4 and name HN
  )
       ( resid 3 and name HB2
  ) 4.0 2.2 0.8 volume=0.278 peak=110 ppm1=7.726 ppm2=1.886

assign ( resid 22 and name HB2
  )
       ( resid 22 and name HN
  ) 2.9 1.1 0.6 volume=1.843 peak=1357 ppm1=2.720 ppm2=7.371

assign ( resid 27 and name HB
  )
       ( resid 28 and name HN
  ) 4.3 2.5 0.9 volume=0.164 peak=984 ppm1=4.153 ppm2=8.155

assign ( resid 15 and name HB2
  )
       ( resid 17 and name HN
  ) 4.3 2.5 0.9 volume=0.161 peak=763 ppm1=2.562 ppm2=8.246

assign ( resid 7 and name HA
  )
       ( resid 7 and name HD1#
  ) 2.7 0.9 0.5 volume=3.014 peak=801 ppm1=3.940 ppm2=0.590

assign ( resid 22 and name HB1
  )
       ( resid 19 and name HD1#
  ) 3.7 1.9 0.7 volume=0.432 peak=1139 ppm1=2.914 ppm2=0.777

assign ( resid 8 and name HN
  )
       ( resid 7 and name HN
  ) 3.2 1.4 0.6 volume=1.077 peak=630 ppm1=8.502 ppm2=8.656

assign ( resid 19 and name HB2
  )
       ( resid 19 and name HN
  ) 3.4 1.6 0.7 volume=0.674 peak=1675 ppm1=1.045 ppm2=6.799

assign ( resid 13 and name HB1
  )
       ( resid 13 and name HB2
  ) 2.8 1.0 0.6 volume=2.255 peak=1217 ppm1=3.138 ppm2=2.548

assign ( resid 11 and name HN
  )
       ( resid 11 and name HG2
  or resid 11 and name HG1
  ) 3.2 1.4 0.6 volume=0.984 peak=531 ppm1=7.843 ppm2=1.730

assign ( resid 7 and name HG12
  or resid 7 and name HG11
  )
       ( resid 7 and name HD1#
  ) 2.4 0.6 0.5 volume=5.417 peak=896 ppm1=0.974 ppm2=0.595

assign ( resid 12 and name HE21
  )
       ( resid 5 and name HG1#
  or resid 5 and name HG2#
  ) 4.2 2.4 0.8 volume=0.196 peak=126 ppm1=7.490 ppm2=0.644

assign ( resid 5 and name HN
  )
       ( resid 6 and name HN
  ) 4.2 2.4 0.8 volume=0.196 peak=548 ppm1=8.421 ppm2=8.992

assign ( resid 12 and name HG1
  )
       ( resid 5 and name HG1#
  ) 3.5 1.7 0.7 volume=0.606 peak=1603 ppm1=2.263 ppm2=0.639

assign ( resid 13 and name HN
  )
       ( resid 13 and name HA
  ) 3.2 1.4 0.6 volume=0.966 peak=303 ppm1=8.888 ppm2=4.484

assign ( resid 18 and name HN
  )
       ( resid 18 and name HB#
  ) 2.9 1.1 0.6 volume=1.737 peak=311 ppm1=8.030 ppm2=1.472

assign ( resid 9 and name HB1
  )
       ( resid 26 and name HE1
  ) 2.9 1.1 0.6 volume=1.724 peak=1493 ppm1=3.356 ppm2=7.929

assign ( resid 24 and name HG1
  )
       ( resid 24 and name HN
  ) 3.4 1.6 0.7 volume=0.655 peak=1170 ppm1=1.653 ppm2=6.767

assign ( resid 26 and name HB1
  )
       ( resid 26 and name HN
  ) 3.7 1.9 0.7 volume=0.425 peak=1228 ppm1=2.529 ppm2=7.284

assign ( resid 18 and name HB#
  )
       ( resid 19 and name HN
  ) 3.2 1.4 0.6 volume=1.028 peak=1382 ppm1=1.503 ppm2=6.809

assign ( resid 26 and name HN
  )
       ( resid 25 and name HG2#
  ) 3.5 1.7 0.7 volume=0.566 peak=153 ppm1=7.270 ppm2=0.453

assign ( resid 12 and name HN
  )
       ( resid 11 and name HB1
  ) 3.1 1.3 0.6 volume=1.261 peak=453 ppm1=7.859 ppm2=1.184

assign ( resid 22 and name HN
  )
       ( resid 18 and name HB#
  ) 3.3 1.5 0.7 volume=0.855 peak=554 ppm1=7.378 ppm2=1.499

assign ( resid 3 and name HB1
  )
       ( resid 5 and name HG1#
  or resid 5 and name HG2#
  ) 4.2 2.4 0.8 volume=0.209 peak=1615 ppm1=1.225 ppm2=0.652

assign ( resid 19 and name HN
  )
       ( resid 21 and name HN
  ) 3.9 2.1 0.8 volume=0.297 peak=321 ppm1=6.800 ppm2=7.719

assign ( resid 11 and name HA
  )
       ( resid 11 and name HN
  ) 2.4 0.6 0.5 volume=5.123 peak=1334 ppm1=3.953 ppm2=7.866

assign ( resid 4 and name HD1 or resid 4 and name HD2
  )
       ( resid 5 and name HN
  ) 4.0 2.2 0.8 volume=0.258 peak=41 ppm1=6.874 ppm2=8.438

assign ( resid 20 and name HA
  )
       ( resid 20 and name HB1
  ) 2.8 1.0 0.6 volume=2.051 peak=1269 ppm1=3.803 ppm2=2.017

assign ( resid 18 and name HA
  )
       ( resid 18 and name HB#
  ) 2.5 0.7 0.5 volume=4.172 peak=1183 ppm1=3.857 ppm2=1.480

assign ( resid 29 and name HB2
  )
       ( resid 29 and name HA
  ) 3.3 1.5 0.7 volume=0.775 peak=1244 ppm1=1.846 ppm2=4.035

assign ( resid 12 and name HA
  )
       ( resid 12 and name HG2
  ) 4.6 2.8 0.9 volume=0.113 peak=924 ppm1=4.870 ppm2=2.022

assign ( resid 19 and name HN
  )
       ( resid 18 and name HN
  ) 2.9 1.1 0.6 volume=1.839 peak=169 ppm1=6.802 ppm2=8.013

assign ( resid 26 and name HN
  )
       ( resid 26 and name HA
  ) 3.4 1.6 0.7 volume=0.727 peak=560 ppm1=7.269 ppm2=4.559

assign ( resid 9 and name HN
  )
       ( resid 8 and name HB1
  ) 3.5 1.7 0.7 volume=0.553 peak=306 ppm1=7.936 ppm2=2.207

assign ( resid 8 and name HN
  )
       ( resid 7 and name HB
  ) 3.2 1.4 0.6 volume=0.954 peak=601 ppm1=8.500 ppm2=1.709

assign ( resid 14 and name HN
  )
       ( resid 15 and name HN
  ) 4.4 2.6 0.9 volume=0.145 peak=327 ppm1=8.965 ppm2=7.356

assign ( resid 8 and name HA
  )
       ( resid 8 and name HN
  ) 3.6 1.8 0.7 volume=0.459 peak=1142 ppm1=4.252 ppm2=8.515

assign ( resid 4 and name HD1 or resid 4 and name HD2
  )
       ( resid 4 and name HN
  ) 3.3 1.5 0.7 volume=0.889 peak=60 ppm1=6.873 ppm2=7.729

assign ( resid 12 and name HE22
  )
       ( resid 12 and name HG1
  ) 3.8 2.0 0.8 volume=0.352 peak=253 ppm1=6.636 ppm2=2.218

assign ( resid 3 and name HB2
  )
       ( resid 4 and name HN
  ) 4.3 2.5 0.9 volume=0.171 peak=1199 ppm1=1.908 ppm2=7.727

assign ( resid 22 and name HB1
  )
       ( resid 23 and name HA
  ) 3.7 1.9 0.7 volume=0.424 peak=946 ppm1=2.906 ppm2=3.515

assign ( resid 18 and name HN
  )
       ( resid 17 and name HN
  ) 3.2 1.4 0.6 volume=0.999 peak=382 ppm1=8.028 ppm2=8.248

assign ( resid 29 and name HB2
  )
       ( resid 29 and name HN
  ) 3.3 1.5 0.7 volume=0.791 peak=708 ppm1=1.895 ppm2=7.885

assign ( resid 16 and name HD2
  )
       ( resid 17 and name HN
  ) 3.8 2.0 0.8 volume=0.364 peak=1587 ppm1=3.651 ppm2=8.258

assign ( resid 13 and name HB1
  )
       ( resid 13 and name HD1 or resid 13 and name HD2
  ) 3.2 1.4 0.6 volume=1.069 peak=1254 ppm1=3.135 ppm2=7.032

assign ( resid 12 and name HE21
  )
       ( resid 12 and name HG1
  ) 3.4 1.6 0.7 volume=0.710 peak=450 ppm1=7.495 ppm2=2.219

assign ( resid 8 and name HB2
  )
       ( resid 26 and name HD2
  ) 4.2 2.4 0.8 volume=0.208 peak=1477 ppm1=1.801 ppm2=6.562

assign ( resid 19 and name HN
  )
       ( resid 16 and name HA
  ) 3.4 1.6 0.7 volume=0.672 peak=340 ppm1=6.804 ppm2=3.451

assign ( resid 19 and name HA
  )
       ( resid 19 and name HD1#
  ) 3.0 1.2 0.6 volume=1.425 peak=1364 ppm1=3.022 ppm2=0.790

assign ( resid 23 and name HA
  )
       ( resid 23 and name HG2#
  or resid 23 and name HG1#
  ) 2.8 1.0 0.6 volume=2.100 peak=17 ppm1=3.504 ppm2=1.208

assign ( resid 23 and name HN
  )
       ( resid 23 and name HG2#
  or resid 23 and name HG1#
  ) 3.1 1.3 0.6 volume=1.312 peak=4 ppm1=8.262 ppm2=1.232

assign ( resid 23 and name HG2#
  or resid 23 and name HG1#
  )
       ( resid 19 and name HD1#
  ) 2.9 1.1 0.6 volume=2.002 peak=11 ppm1=1.236 ppm2=0.809

assign ( resid 23 and name HG2#
  or resid 23 and name HG1#
  )
       ( resid 22 and name HB2
  ) 3.6 1.8 0.7 volume=0.457 peak=25 ppm1=1.237 ppm2=2.729

assign ( resid 7 and name HD1#
  )
       ( resid 23 and name HG2#
  or resid 23 and name HG1#
  ) 3.7 1.9 0.7 volume=0.417 peak=12 ppm1=0.598 ppm2=1.230

assign ( resid 23 and name HB
  )
       ( resid 23 and name HG2#
  or resid 23 and name HG1#
  ) 2.8 1.0 0.6 volume=2.324 peak=10 ppm1=2.247 ppm2=1.214

assign ( resid 23 and name HG2#
  or resid 23 and name HG1#
  )
       ( resid 23 and name HN
  ) 3.0 1.2 0.6 volume=1.509 peak=18 ppm1=1.239 ppm2=8.271

assign ( resid 23 and name HG2#
  or resid 23 and name HG1#
  )
       ( resid 20 and name HA
  ) 3.2 1.4 0.6 volume=1.039 peak=8 ppm1=1.243 ppm2=3.771

assign ( resid 23 and name HG2#
  or resid 23 and name HG1#
  )
       ( resid 23 and name HB
  ) 2.7 0.9 0.5 volume=3.008 peak=20 ppm1=1.238 ppm2=2.221

assign ( resid 23 and name HG2#
  or resid 23 and name HG1#
  )
       ( resid 24 and name HN
  ) 2.9 1.1 0.6 volume=1.632 peak=22 ppm1=1.235 ppm2=6.777

assign ( resid 22 and name HD2
  )
       ( resid 23 and name HG2#
  or resid 23 and name HG1#
  ) 3.1 1.3 0.6 volume=1.254 peak=1 ppm1=6.854 ppm2=1.228

assign ( resid 23 and name HG2#
  or resid 23 and name HG1#
  )
       ( resid 22 and name HN
  ) 3.9 2.1 0.8 volume=0.316 peak=13 ppm1=1.237 ppm2=7.363

assign ( resid 23 and name HG2#
  or resid 23 and name HG1#
  )
       ( resid 7 and name HN
  ) 4.2 2.4 0.8 volume=0.194 peak=7 ppm1=1.235 ppm2=8.660

assign ( resid 23 and name HG2#
  or resid 23 and name HG1#
  )
       ( resid 8 and name HN
  ) 3.9 2.1 0.8 volume=0.327 peak=23 ppm1=1.239 ppm2=8.487

assign ( resid 23 and name HG2#
  or resid 23 and name HG1#
  )
       ( resid 19 and name HA
  ) 3.8 2.0 0.8 volume=0.355 peak=9 ppm1=1.240 ppm2=2.997

assign ( resid 23 and name HG2#
  or resid 23 and name HG1#
  )
       ( resid 24 and name HA
  ) 3.9 2.1 0.8 volume=0.288 peak=15 ppm1=1.239 ppm2=3.961

assign ( resid 23 and name HG2#
  or resid 23 and name HG1#
  )
       ( resid 23 and name HA
  ) 3.0 1.2 0.6 volume=1.360 peak=21 ppm1=1.236 ppm2=3.485

assign ( resid 24 and name HN
  )
       ( resid 23 and name HG2#
  or resid 23 and name HG1#
  ) 3.5 1.7 0.7 volume=0.613 peak=5 ppm1=6.758 ppm2=1.211

assign ( resid 23 and name HG2#
  or resid 23 and name HG1#
  )
       ( resid 7 and name HB
  ) 3.3 1.5 0.7 volume=0.769 peak=24 ppm1=1.240 ppm2=1.715

assign ( resid 23 and name HG2#
  or resid 23 and name HG1#
  )
       ( resid 22 and name HD2
  ) 3.0 1.2 0.6 volume=1.501 peak=14 ppm1=1.235 ppm2=6.844

 ASSIGN  (segid "   A" and resid 2    and name C   ) (segid "   A" and resid 3    and name N   )
         (segid "   A" and resid 3    and name CA  ) (segid "   A" and resid 3    and name C   )  1.00 -65.14 24.86 2

 ASSIGN  (segid "   A" and resid 3    and name N   ) (segid "   A" and resid 3    and name CA  )
         (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )  1.00 154.95 34.95 2

 ASSIGN  (segid "   A" and resid 3    and name C   ) (segid "   A" and resid 4    and name N   )
         (segid "   A" and resid 4    and name CA  ) (segid "   A" and resid 4    and name C   )  1.00 -85.28 94.72 2

 ASSIGN  (segid "   A" and resid 4    and name N   ) (segid "   A" and resid 4    and name CA  )
         (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )  1.00 137.03 47.03 2

 ASSIGN  (segid "   A" and resid 4    and name C   ) (segid "   A" and resid 5    and name N   )
         (segid "   A" and resid 5    and name CA  ) (segid "   A" and resid 5    and name C   )  1.00 -112.74 37.26 2

 ASSIGN  (segid "   A" and resid 5    and name N   ) (segid "   A" and resid 5    and name CA  )
         (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )  1.00 125.35 25.35 2

 ASSIGN  (segid "   A" and resid 5    and name C   ) (segid "   A" and resid 6    and name N   )
         (segid "   A" and resid 6    and name CA  ) (segid "   A" and resid 6    and name C   )  1.00 -86.17 33.83 2

 ASSIGN  (segid "   A" and resid 6    and name N   ) (segid "   A" and resid 6    and name CA  )
         (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )  1.00 115.22 25.22 2

 ASSIGN  (segid "   A" and resid 6    and name C   ) (segid "   A" and resid 7    and name N   )
         (segid "   A" and resid 7    and name CA  ) (segid "   A" and resid 7    and name C   )  1.00 -56.19 33.81 2

 ASSIGN  (segid "   A" and resid 7    and name N   ) (segid "   A" and resid 7    and name CA  )
         (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )  1.00 -24.88 35.12 2

 ASSIGN  (segid "   A" and resid 7    and name C   ) (segid "   A" and resid 8    and name N   )
         (segid "   A" and resid 8    and name CA  ) (segid "   A" and resid 8    and name C   )  1.00 -69.26 40.74 2

 ASSIGN  (segid "   A" and resid 8    and name N   ) (segid "   A" and resid 8    and name CA  )
         (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )  1.00 -25.90 34.10 2

 ASSIGN  (segid "   A" and resid 8    and name C   ) (segid "   A" and resid 9    and name N   )
         (segid "   A" and resid 9    and name CA  ) (segid "   A" and resid 9    and name C   )  1.00 -89.93 40.07 2

 ASSIGN  (segid "   A" and resid 9    and name N   ) (segid "   A" and resid 9    and name CA  )
         (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )  1.00  -9.99 30.01 2

 ASSIGN  (segid "   A" and resid 9    and name C   ) (segid "   A" and resid 10   and name N   )
         (segid "   A" and resid 10   and name CA  ) (segid "   A" and resid 10   and name C   )  1.00  55.16 15.16 2

 ASSIGN  (segid "   A" and resid 10   and name N   ) (segid "   A" and resid 10   and name CA  )
         (segid "   A" and resid 10   and name C   ) (segid "   A" and resid 11   and name N   )  1.00  40.52 40.52 2

 ASSIGN  (segid "   A" and resid 11   and name N   ) (segid "   A" and resid 11   and name CA  )
         (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )  1.00 145.44 25.44 2

 ASSIGN  (segid "   A" and resid 11   and name C   ) (segid "   A" and resid 12   and name N   )
         (segid "   A" and resid 12   and name CA  ) (segid "   A" and resid 12   and name C   )  1.00 -123.87 46.13 2

 ASSIGN  (segid "   A" and resid 12   and name N   ) (segid "   A" and resid 12   and name CA  )
         (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )  1.00 142.89 42.89 2

 ASSIGN  (segid "   A" and resid 12   and name C   ) (segid "   A" and resid 13   and name N   )
         (segid "   A" and resid 13   and name CA  ) (segid "   A" and resid 13   and name C   )  1.00 -134.61 35.39 2

 ASSIGN  (segid "   A" and resid 13   and name N   ) (segid "   A" and resid 13   and name CA  )
         (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )  1.00 159.96 49.96 2

 ASSIGN  (segid "   A" and resid 13   and name C   ) (segid "   A" and resid 14   and name N   )
         (segid "   A" and resid 14   and name CA  ) (segid "   A" and resid 14   and name C   )  1.00 -75.32 34.68 2

 ASSIGN  (segid "   A" and resid 14   and name N   ) (segid "   A" and resid 14   and name CA  )
         (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )  1.00 -25.06 34.94 2

 ASSIGN  (segid "   A" and resid 14   and name C   ) (segid "   A" and resid 15   and name N   )
         (segid "   A" and resid 15   and name CA  ) (segid "   A" and resid 15   and name C   )  1.00 -78.67 81.33 2

 ASSIGN  (segid "   A" and resid 15   and name N   ) (segid "   A" and resid 15   and name CA  )
         (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )  1.00 122.82 32.82 2

 ASSIGN  (segid "   A" and resid 15   and name C   ) (segid "   A" and resid 16   and name N   )
         (segid "   A" and resid 16   and name CA  ) (segid "   A" and resid 16   and name C   )  1.00 -55.02 24.98 2

 ASSIGN  (segid "   A" and resid 16   and name N   ) (segid "   A" and resid 16   and name CA  )
         (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )  1.00 -34.97 25.03 2

 ASSIGN  (segid "   A" and resid 16   and name C   ) (segid "   A" and resid 17   and name N   )
         (segid "   A" and resid 17   and name CA  ) (segid "   A" and resid 17   and name C   )  1.00 -57.06 32.94 2

 ASSIGN  (segid "   A" and resid 17   and name N   ) (segid "   A" and resid 17   and name CA  )
         (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )  1.00 -32.28 37.72 2

 ASSIGN  (segid "   A" and resid 17   and name C   ) (segid "   A" and resid 18   and name N   )
         (segid "   A" and resid 18   and name CA  ) (segid "   A" and resid 18   and name C   )  1.00 -64.43 25.57 2

 ASSIGN  (segid "   A" and resid 18   and name N   ) (segid "   A" and resid 18   and name CA  )
         (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )  1.00 -40.82 29.18 2

 ASSIGN  (segid "   A" and resid 18   and name C   ) (segid "   A" and resid 19   and name N   )
         (segid "   A" and resid 19   and name CA  ) (segid "   A" and resid 19   and name C   )  1.00 -64.52 25.48 2

 ASSIGN  (segid "   A" and resid 19   and name N   ) (segid "   A" and resid 19   and name CA  )
         (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )  1.00 -44.25 25.75 2

 ASSIGN  (segid "   A" and resid 19   and name C   ) (segid "   A" and resid 20   and name N   )
         (segid "   A" and resid 20   and name CA  ) (segid "   A" and resid 20   and name C   )  1.00 -62.88 17.12 2

 ASSIGN  (segid "   A" and resid 20   and name N   ) (segid "   A" and resid 20   and name CA  )
         (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )  1.00 -42.97 27.03 2

 ASSIGN  (segid "   A" and resid 20   and name C   ) (segid "   A" and resid 21   and name N   )
         (segid "   A" and resid 21   and name CA  ) (segid "   A" and resid 21   and name C   )  1.00 -64.32 25.68 2

 ASSIGN  (segid "   A" and resid 21   and name N   ) (segid "   A" and resid 21   and name CA  )
         (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )  1.00 -44.87 25.13 2

 ASSIGN  (segid "   A" and resid 21   and name C   ) (segid "   A" and resid 22   and name N   )
         (segid "   A" and resid 22   and name CA  ) (segid "   A" and resid 22   and name C   )  1.00 -64.98 25.02 2

 ASSIGN  (segid "   A" and resid 22   and name N   ) (segid "   A" and resid 22   and name CA  )
         (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )  1.00 -44.60 25.40 2

 ASSIGN  (segid "   A" and resid 22   and name C   ) (segid "   A" and resid 23   and name N   )
         (segid "   A" and resid 23   and name CA  ) (segid "   A" and resid 23   and name C   )  1.00 -64.91 25.09 2

 ASSIGN  (segid "   A" and resid 23   and name N   ) (segid "   A" and resid 23   and name CA  )
         (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )  1.00 -44.81 25.19 2

 ASSIGN  (segid "   A" and resid 23   and name C   ) (segid "   A" and resid 24   and name N   )
         (segid "   A" and resid 24   and name CA  ) (segid "   A" and resid 24   and name C   )  1.00 -56.29 23.71 2

 ASSIGN  (segid "   A" and resid 24   and name N   ) (segid "   A" and resid 24   and name CA  )
         (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )  1.00 -34.35 25.65 2

 ASSIGN  (segid "   A" and resid 24   and name C   ) (segid "   A" and resid 25   and name N   )
         (segid "   A" and resid 25   and name CA  ) (segid "   A" and resid 25   and name C   )  1.00 -62.82 27.18 2

 ASSIGN  (segid "   A" and resid 25   and name N   ) (segid "   A" and resid 25   and name CA  )
         (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )  1.00 -40.09 29.91 2

 ASSIGN  (segid "   A" and resid 25   and name C   ) (segid "   A" and resid 26   and name N   )
         (segid "   A" and resid 26   and name CA  ) (segid "   A" and resid 26   and name C   )  1.00 -66.46 43.54 2

 ASSIGN  (segid "   A" and resid 26   and name N   ) (segid "   A" and resid 26   and name CA  )
         (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )  1.00 -16.59 33.41 2

 ASSIGN  (segid "   A" and resid 26   and name C   ) (segid "   A" and resid 27   and name N   )
         (segid "   A" and resid 27   and name CA  ) (segid "   A" and resid 27   and name C   )  1.00 -99.00 31.00 2

 ASSIGN  (segid "   A" and resid 27   and name N   ) (segid "   A" and resid 27   and name CA  )
         (segid "   A" and resid 27   and name C   ) (segid "   A" and resid 28   and name N   )  1.00   4.59 44.59 2

 ASSIGN  (segid "   A" and resid 28   and name C   ) (segid "   A" and resid 29   and name N   )
         (segid "   A" and resid 29   and name CA  ) (segid "   A" and resid 29   and name C   )  1.00 -78.02 41.98 2

 ASSIGN  (segid "   A" and resid 29   and name N   ) (segid "   A" and resid 29   and name CA  )
         (segid "   A" and resid 29   and name C   ) (segid "   A" and resid 30   and name N   )  1.00 -12.09 47.91 2

 ASSIGN  (segid "   A" and resid 29   and name C   ) (segid "   A" and resid 30   and name N   )
         (segid "   A" and resid 30   and name CA  ) (segid "   A" and resid 30   and name C   )  1.00 -112.68 47.32 2

ASSIGN  (segid "   A" and resid 6    and name N   ) (segid "   A" and resid 6    and name CA   )
         (segid "   A" and resid 6    and name CB  ) (segid "   A" and resid 6    and name SG   )  1.00 180.00 40.00 2

ASSIGN  (segid "   A" and resid 8    and name N   ) (segid "   A" and resid 8    and name CA   )
         (segid "   A" and resid 8    and name CB  ) (segid "   A" and resid 8    and name CG   )  1.00 180.00 40.00 2

ASSIGN  (segid "   A" and resid 9    and name N   ) (segid "   A" and resid 9    and name CA   )
         (segid "   A" and resid 9    and name CB  ) (segid "   A" and resid 9    and name SG   )  1.00  60.00 40.00 2

ASSIGN  (segid "   A" and resid 13    and name N   ) (segid "   A" and resid 13    and name CA   )
         (segid "   A" and resid 13    and name CB  ) (segid "   A" and resid 13    and name CG   )  1.00 -60.00 40.00 2

ASSIGN  (segid "   A" and resid 19    and name N   ) (segid "   A" and resid 19    and name CA   )
         (segid "   A" and resid 19    and name CB  ) (segid "   A" and resid 19    and name CG   )  1.00 -60.00 40.00 2

ASSIGN  (segid "   A" and resid 22    and name N   ) (segid "   A" and resid 22    and name CA   )
         (segid "   A" and resid 22    and name CB  ) (segid "   A" and resid 22    and name CG   )  1.00 180.00 40.00 2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           HT1      MET   1  17.148   3.314  -4.062
    2    H2   MET   1           HT2      MET   1  15.853   3.595  -3.007
    3    H3   MET   1           HT3      MET   1  15.671   2.517  -4.300
    4    HA   MET   1           HA       MET   1  17.196   0.984  -3.359
    5    HB2  MET   1           HB2      MET   1  17.566   3.128  -1.273
    6    HB3  MET   1           HB1      MET   1  18.002   1.452  -0.979
    7    HG2  MET   1           HG2      MET   1  19.553   1.538  -2.871
    8    HG3  MET   1           HG1      MET   1  19.135   3.232  -3.121
    9    HE1  MET   1           HE1      MET   1  22.113   2.085  -2.700
   10    HE2  MET   1           HE2      MET   1  22.792   3.321  -1.642
   11    HE3  MET   1           HE3      MET   1  21.769   3.789  -2.999
   12    H    LYS   2           HN       LYS   2  15.441   2.832  -0.838
   13    HA   LYS   2           HA       LYS   2  14.053   0.349  -0.166
   14    HB2  LYS   2           HB2      LYS   2  13.424   1.446   1.921
   15    HB3  LYS   2           HB1      LYS   2  15.161   1.542   1.670
   16    HG2  LYS   2           HG2      LYS   2  14.924   3.853   0.916
   17    HG3  LYS   2           HG1      LYS   2  13.181   3.754   1.167
   18    HD2  LYS   2           HD2      LYS   2  13.608   3.261   3.560
   19    HD3  LYS   2           HD1      LYS   2  15.330   3.514   3.268
   20    HE2  LYS   2           HE2      LYS   2  14.414   5.532   4.178
   21    HE3  LYS   2           HE1      LYS   2  14.799   5.809   2.480
   22    HZ1  LYS   2           HZ1      LYS   2  12.095   5.223   3.566
   23    HZ2  LYS   2           HZ2      LYS   2  12.460   5.497   1.932
   24    HZ3  LYS   2           HZ3      LYS   2  12.652   6.742   3.064
   25    HA   PRO   3           HA       PRO   3  10.339   2.152  -1.931
   26    HB2  PRO   3           HB2      PRO   3   9.116  -0.130  -2.497
   27    HB3  PRO   3           HB1      PRO   3  10.538   0.371  -3.432
   28    HG2  PRO   3           HG2      PRO   3  10.317  -1.658  -1.253
   29    HG3  PRO   3           HG1      PRO   3  11.279  -1.699  -2.738
   30    HD2  PRO   3           HD2      PRO   3  12.200  -0.970  -0.189
   31    HD3  PRO   3           HD1      PRO   3  13.040  -0.673  -1.725
   32    H    TYR   4           HN       TYR   4   7.992   1.703  -1.436
   33    HA   TYR   4           HA       TYR   4   7.606   0.785   1.329
   34    HB2  TYR   4           HB2      TYR   4   6.119   2.883  -0.278
   35    HB3  TYR   4           HB1      TYR   4   5.426   2.125   1.157
   36    HD1  TYR   4           HD1      TYR   4   8.109   4.333  -0.052
   37    HD2  TYR   4           HD2      TYR   4   6.213   2.642   3.356
   38    HE1  TYR   4           HE1      TYR   4   9.308   5.916   1.392
   39    HE2  TYR   4           HE2      TYR   4   7.404   4.227   4.810
   40    HH   TYR   4           HH       TYR   4   9.532   5.569   4.715
   41    H    VAL   5           HN       VAL   5   7.026  -1.279   1.196
   42    HA   VAL   5           HA       VAL   5   5.619  -2.193  -1.177
   43    HB   VAL   5           HB       VAL   5   6.161  -4.422  -0.488
   44   HG11  VAL   5          HG11      VAL   5   8.528  -2.611  -0.067
   45   HG12  VAL   5          HG12      VAL   5   7.888  -3.124  -1.625
   46   HG13  VAL   5          HG13      VAL   5   8.589  -4.313  -0.527
   47   HG21  VAL   5          HG21      VAL   5   7.400  -4.904   1.582
   48   HG22  VAL   5          HG22      VAL   5   5.807  -4.220   1.916
   49   HG23  VAL   5          HG23      VAL   5   7.249  -3.212   2.054
   50    H    CYS   6           HN       CYS   6   3.668  -3.117  -1.218
   51    HA   CYS   6           HA       CYS   6   1.775  -2.575   0.817
   52    HB2  CYS   6           HB2      CYS   6   1.220  -2.845  -1.595
   53    HB3  CYS   6           HB1      CYS   6   1.579  -4.560  -1.458
   54    H    ILE   7           HN       ILE   7   1.450  -3.649   2.642
   55    HA   ILE   7           HA       ILE   7   2.922  -5.934   3.346
   56    HB   ILE   7           HB       ILE   7   0.448  -4.964   4.766
   57   HG12  ILE   7          HG12      ILE   7   1.678  -2.960   4.403
   58   HG13  ILE   7          HG11      ILE   7   2.068  -3.475   6.042
   59   HG21  ILE   7          HG21      ILE   7   3.008  -6.213   5.731
   60   HG22  ILE   7          HG22      ILE   7   1.447  -7.019   5.585
   61   HG23  ILE   7          HG23      ILE   7   1.658  -5.713   6.751
   62   HD11  ILE   7          HD11      ILE   7   3.773  -3.932   3.607
   63   HD12  ILE   7          HD12      ILE   7   4.181  -4.388   5.266
   64   HD13  ILE   7          HD13      ILE   7   4.034  -2.685   4.832
   65    H    HIS   8           HN       HIS   8  -0.063  -5.547   1.709
   66    HA   HIS   8           HA       HIS   8  -1.072  -8.122   2.636
   67    HB2  HIS   8           HB2      HIS   8  -2.509  -6.011   2.445
   68    HB3  HIS   8           HB1      HIS   8  -2.492  -6.302   0.703
   69    HD1  HIS   8           HD1      HIS   8  -3.952  -8.223  -0.191
   70    HD2  HIS   8           HD2      HIS   8  -3.978  -7.903   3.960
   71    HE1  HIS   8           HE1      HIS   8  -5.810  -9.715   0.596
   72    HE2  HIS   8           HE2      HIS   8  -5.705  -9.631   3.109
   73    H    CYS   9           HN       CYS   9   0.189  -6.676  -0.352
   74    HA   CYS   9           HA       CYS   9  -0.126  -9.319  -1.580
   75    HB2  CYS   9           HB2      CYS   9  -0.836  -8.366  -3.620
   76    HB3  CYS   9           HB1      CYS   9  -1.805  -7.624  -2.363
   77    H    GLN  10           HN       GLN  10   2.000  -6.997  -0.642
   78    HA   GLN  10           HA       GLN  10   4.225  -6.758  -0.829
   79    HB2  GLN  10           HB2      GLN  10   4.003  -9.397  -2.266
   80    HB3  GLN  10           HB1      GLN  10   5.537  -8.630  -1.848
   81    HG2  GLN  10           HG2      GLN  10   4.917  -8.696   0.519
   82    HG3  GLN  10           HG1      GLN  10   3.399  -9.485   0.095
   83   HE21  GLN  10          HE21      GLN  10   6.845  -9.831   0.355
   84   HE22  GLN  10          HE22      GLN  10   6.874 -11.570   0.236
   85    H    ARG  11           HN       ARG  11   2.936  -5.170  -2.481
   86    HA   ARG  11           HA       ARG  11   4.449  -5.224  -4.988
   87    HB2  ARG  11           HB2      ARG  11   1.922  -3.823  -4.143
   88    HB3  ARG  11           HB1      ARG  11   2.846  -3.281  -5.541
   89    HG2  ARG  11           HG2      ARG  11   1.710  -6.045  -5.192
   90    HG3  ARG  11           HG1      ARG  11   0.959  -4.748  -6.123
   91    HD2  ARG  11           HD2      ARG  11   3.029  -4.645  -7.510
   92    HD3  ARG  11           HD1      ARG  11   3.615  -6.069  -6.651
   93    HE   ARG  11           HE       ARG  11   1.206  -6.872  -7.576
   94   HH11  ARG  11          HH11      ARG  11   3.974  -5.400  -9.096
   95   HH12  ARG  11          HH12      ARG  11   3.676  -6.109 -10.655
   96   HH21  ARG  11          HH21      ARG  11   0.781  -7.813  -9.626
   97   HH22  ARG  11          HH22      ARG  11   1.847  -7.473 -10.960
   98    H    GLN  12           HN       GLN  12   6.079  -3.780  -5.264
   99    HA   GLN  12           HA       GLN  12   6.766  -2.129  -2.991
  100    HB2  GLN  12           HB2      GLN  12   8.250  -2.510  -5.589
  101    HB3  GLN  12           HB1      GLN  12   8.892  -1.848  -4.099
  102    HG2  GLN  12           HG2      GLN  12   8.625  -3.999  -3.003
  103    HG3  GLN  12           HG1      GLN  12   7.933  -4.671  -4.474
  104   HE21  GLN  12          HE21      GLN  12   9.497  -6.239  -4.620
  105   HE22  GLN  12          HE22      GLN  12  11.133  -5.884  -5.107
  106    H    PHE  13           HN       PHE  13   5.979  -0.154  -2.830
  107    HA   PHE  13           HA       PHE  13   5.604   1.432  -5.281
  108    HB2  PHE  13           HB2      PHE  13   4.197   1.443  -2.631
  109    HB3  PHE  13           HB1      PHE  13   4.206   2.910  -3.620
  110    HD1  PHE  13           HD2      PHE  13   3.300  -0.695  -3.664
  111    HD2  PHE  13           HD1      PHE  13   2.742   3.142  -5.413
  112    HE1  PHE  13           HE2      PHE  13   1.440  -1.580  -5.008
  113    HE2  PHE  13           HE1      PHE  13   0.880   2.265  -6.756
  114    HZ   PHE  13           HZ       PHE  13   0.227  -0.099  -6.557
  115    H    ALA  14           HN       ALA  14   5.781   3.898  -4.750
  116    HA   ALA  14           HA       ALA  14   8.508   4.256  -3.807
  117    HB1  ALA  14           HB1      ALA  14   7.679   5.238  -5.966
  118    HB2  ALA  14           HB2      ALA  14   8.452   6.381  -4.869
  119    HB3  ALA  14           HB3      ALA  14   6.693   6.339  -4.997
  120    H    ASP  15           HN       ASP  15   5.321   5.676  -3.200
  121    HA   ASP  15           HA       ASP  15   6.480   7.142  -0.937
  122    HB2  ASP  15           HB2      ASP  15   3.947   7.711  -2.496
  123    HB3  ASP  15           HB1      ASP  15   4.612   8.693  -1.204
  124    HA   PRO  16           HA       PRO  16   3.993   4.844   1.918
  125    HB2  PRO  16           HB2      PRO  16   3.729   6.745   3.865
  126    HB3  PRO  16           HB1      PRO  16   5.192   5.782   3.631
  127    HG2  PRO  16           HG2      PRO  16   4.604   8.577   2.760
  128    HG3  PRO  16           HG1      PRO  16   6.104   7.896   3.413
  129    HD2  PRO  16           HD2      PRO  16   5.735   8.362   0.767
  130    HD3  PRO  16           HD1      PRO  16   6.751   7.039   1.379
  131    H    GLY  17           HN       GLY  17   3.092   8.077   0.876
  132    HA2  GLY  17           HA2      GLY  17   0.389   8.024   1.682
  133    HA3  GLY  17           HA1      GLY  17   1.051   8.991   0.369
  134    H    ALA  18           HN       ALA  18   2.056   6.689  -1.094
  135    HA   ALA  18           HA       ALA  18  -0.344   6.034  -2.500
  136    HB1  ALA  18           HB1      ALA  18   1.088   4.670  -3.932
  137    HB2  ALA  18           HB2      ALA  18   2.450   4.974  -2.851
  138    HB3  ALA  18           HB3      ALA  18   1.712   6.311  -3.738
  139    H    LEU  19           HN       LEU  19   1.632   4.457  -0.061
  140    HA   LEU  19           HA       LEU  19   0.570   1.870  -0.464
  141    HB2  LEU  19           HB2      LEU  19   2.079   3.217   1.722
  142    HB3  LEU  19           HB1      LEU  19   1.203   1.740   2.108
  143    HG   LEU  19           HG       LEU  19   3.501   2.091   0.201
  144   HD11  LEU  19          HD11      LEU  19   4.050   1.771   2.541
  145   HD12  LEU  19          HD12      LEU  19   4.479   0.338   1.606
  146   HD13  LEU  19          HD13      LEU  19   3.025   0.339   2.603
  147   HD21  LEU  19          HD21      LEU  19   3.199  -0.300  -0.358
  148   HD22  LEU  19          HD22      LEU  19   1.882   0.712  -0.951
  149   HD23  LEU  19          HD23      LEU  19   1.653  -0.278   0.490
  150    H    GLN  20           HN       GLN  20  -0.407   4.715   1.326
  151    HA   GLN  20           HA       GLN  20  -2.352   3.231   2.713
  152    HB2  GLN  20           HB2      GLN  20  -2.938   5.168   3.884
  153    HB3  GLN  20           HB1      GLN  20  -1.238   5.380   3.524
  154    HG2  GLN  20           HG2      GLN  20  -2.032   7.449   3.033
  155    HG3  GLN  20           HG1      GLN  20  -2.118   6.681   1.451
  156   HE21  GLN  20          HE21      GLN  20  -4.364   5.928   4.017
  157   HE22  GLN  20          HE22      GLN  20  -5.742   6.700   3.300
  158    H    ARG  21           HN       ARG  21  -2.249   5.164  -0.075
  159    HA   ARG  21           HA       ARG  21  -5.004   5.060  -0.758
  160    HB2  ARG  21           HB2      ARG  21  -2.606   6.037  -1.932
  161    HB3  ARG  21           HB1      ARG  21  -3.353   4.964  -3.105
  162    HG2  ARG  21           HG2      ARG  21  -4.101   7.201  -3.505
  163    HG3  ARG  21           HG1      ARG  21  -5.454   6.254  -2.879
  164    HD2  ARG  21           HD2      ARG  21  -5.152   7.205  -0.680
  165    HD3  ARG  21           HD1      ARG  21  -3.711   8.069  -1.220
  166    HE   ARG  21           HE       ARG  21  -6.122   8.685  -2.692
  167   HH11  ARG  21          HH11      ARG  21  -4.156   9.496   0.088
  168   HH12  ARG  21          HH12      ARG  21  -4.668  11.157   0.133
  169   HH21  ARG  21          HH21      ARG  21  -6.833  10.841  -2.618
  170   HH22  ARG  21          HH22      ARG  21  -6.226  11.921  -1.396
  171    H    HIS  22           HN       HIS  22  -2.274   2.934  -1.136
  172    HA   HIS  22           HA       HIS  22  -3.464   1.132  -3.002
  173    HB2  HIS  22           HB2      HIS  22  -1.011   1.444  -2.553
  174    HB3  HIS  22           HB1      HIS  22  -1.233   0.566  -1.055
  175    HD1  HIS  22           HD1      HIS  22  -1.769  -0.038  -4.793
  176    HD2  HIS  22           HD2      HIS  22  -0.897  -2.025  -1.256
  177    HE1  HIS  22           HE1      HIS  22  -1.301  -2.442  -5.428
  178    H    VAL  23           HN       VAL  23  -2.927   1.029   0.496
  179    HA   VAL  23           HA       VAL  23  -3.801  -1.604   0.749
  180    HB   VAL  23           HB       VAL  23  -3.582   0.569   2.838
  181   HG11  VAL  23          HG11      VAL  23  -5.220  -1.077   3.591
  182   HG12  VAL  23          HG12      VAL  23  -3.728  -1.203   4.524
  183   HG13  VAL  23          HG13      VAL  23  -4.076  -2.382   3.259
  184   HG21  VAL  23          HG21      VAL  23  -1.553  -0.619   3.495
  185   HG22  VAL  23          HG22      VAL  23  -1.478  -0.129   1.801
  186   HG23  VAL  23          HG23      VAL  23  -1.825  -1.806   2.219
  187    H    ARG  24           HN       ARG  24  -5.477   1.482   1.005
  188    HA   ARG  24           HA       ARG  24  -7.944   0.393   1.900
  189    HB2  ARG  24           HB2      ARG  24  -8.908   2.564   1.340
  190    HB3  ARG  24           HB1      ARG  24  -7.401   2.755   2.222
  191    HG2  ARG  24           HG2      ARG  24  -6.233   3.296   0.183
  192    HG3  ARG  24           HG1      ARG  24  -7.699   3.007  -0.758
  193    HD2  ARG  24           HD2      ARG  24  -7.347   5.115   1.369
  194    HD3  ARG  24           HD1      ARG  24  -7.337   5.396  -0.372
  195    HE   ARG  24           HE       ARG  24  -9.728   4.105   0.646
  196   HH11  ARG  24          HH11      ARG  24  -8.166   7.153  -0.089
  197   HH12  ARG  24          HH12      ARG  24  -9.650   8.027  -0.296
  198   HH21  ARG  24          HH21      ARG  24 -11.677   5.235   0.416
  199   HH22  ARG  24          HH22      ARG  24 -11.673   6.926   0.001
  200    H    ILE  25           HN       ILE  25  -6.400   0.596  -1.182
  201    HA   ILE  25           HA       ILE  25  -8.642   0.178  -2.840
  202    HB   ILE  25           HB       ILE  25  -5.717  -0.456  -3.128
  203   HG12  ILE  25          HG12      ILE  25  -6.273   1.847  -3.403
  204   HG13  ILE  25          HG11      ILE  25  -5.908   1.191  -4.985
  205   HG21  ILE  25          HG21      ILE  25  -6.150  -1.074  -5.467
  206   HG22  ILE  25          HG22      ILE  25  -7.872  -1.118  -5.100
  207   HG23  ILE  25          HG23      ILE  25  -6.768  -2.239  -4.298
  208   HD11  ILE  25          HD11      ILE  25  -8.654   1.716  -3.876
  209   HD12  ILE  25          HD12      ILE  25  -8.299   1.021  -5.457
  210   HD13  ILE  25          HD13      ILE  25  -7.811   2.676  -5.092
  211    H    HIS  26           HN       HIS  26  -6.641  -1.984  -0.892
  212    HA   HIS  26           HA       HIS  26  -7.754  -4.398  -1.904
  213    HB2  HIS  26           HB2      HIS  26  -6.215  -3.732   0.581
  214    HB3  HIS  26           HB1      HIS  26  -6.970  -5.312   0.402
  215    HD1  HIS  26           HD1      HIS  26  -6.304  -5.934  -2.544
  216    HD2  HIS  26           HD2      HIS  26  -3.634  -4.261   0.171
  217    HE1  HIS  26           HE1      HIS  26  -3.965  -6.454  -3.411
  218    H    THR  27           HN       THR  27  -8.625  -2.243   0.775
  219    HA   THR  27           HA       THR  27 -10.743  -3.894   1.704
  220    HB   THR  27           HB       THR  27 -11.445  -1.188   2.186
  221    HG1  THR  27           HG1      THR  27  -9.618  -0.174   2.369
  222   HG21  THR  27          HG21      THR  27 -10.910  -1.782   4.516
  223   HG22  THR  27          HG22      THR  27 -10.131  -3.256   3.944
  224   HG23  THR  27          HG23      THR  27 -11.863  -3.027   3.706
  225    H    GLY  28           HN       GLY  28 -10.517  -1.275  -0.644
  226    HA2  GLY  28           HA2      GLY  28 -11.825  -0.886  -2.511
  227    HA3  GLY  28           HA1      GLY  28 -12.794  -2.288  -2.083
  228    H    GLU  29           HN       GLU  29 -13.895  -1.824   0.195
  229    HA   GLU  29           HA       GLU  29 -15.917   0.061  -0.314
  230    HB2  GLU  29           HB2      GLU  29 -15.274  -1.215   2.340
  231    HB3  GLU  29           HB1      GLU  29 -16.838  -0.686   1.746
  232    HG2  GLU  29           HG2      GLU  29 -16.618  -2.416  -0.063
  233    HG3  GLU  29           HG1      GLU  29 -15.218  -3.027   0.814
  234    H    LYS  30           HN       LYS  30 -12.962   0.156   1.507
  235    HA   LYS  30           HA       LYS  30 -13.284   3.019   1.827
  236    HB2  LYS  30           HB2      LYS  30 -12.383   2.844   4.198
  237    HB3  LYS  30           HB1      LYS  30 -14.059   2.380   3.957
  238    HG2  LYS  30           HG2      LYS  30 -13.418   0.026   3.988
  239    HG3  LYS  30           HG1      LYS  30 -11.729   0.489   4.208
  240    HD2  LYS  30           HD2      LYS  30 -12.294   1.572   6.325
  241    HD3  LYS  30           HD1      LYS  30 -13.989   1.134   6.103
  242    HE2  LYS  30           HE2      LYS  30 -13.378  -1.234   6.152
  243    HE3  LYS  30           HE1      LYS  30 -11.687  -0.790   6.381
  244    HZ1  LYS  30           HZ1      LYS  30 -13.904  -0.135   8.244
  245    HZ2  LYS  30           HZ2      LYS  30 -12.271   0.264   8.467
  246    HZ3  LYS  30           HZ3      LYS  30 -12.756  -1.360   8.475
  Start of MODEL    2
    1    H1   MET   1           HT1      MET   1  16.761   2.211  -0.020
    2    H2   MET   1           HT2      MET   1  17.753   2.707   1.264
    3    H3   MET   1           HT3      MET   1  16.078   2.574   1.488
    4    HA   MET   1           HA       MET   1  17.969   0.361   0.957
    5    HB2  MET   1           HB2      MET   1  18.095   1.196   3.249
    6    HB3  MET   1           HB1      MET   1  16.347   1.084   3.408
    7    HG2  MET   1           HG2      MET   1  16.480  -1.342   3.147
    8    HG3  MET   1           HG1      MET   1  18.234  -1.229   3.005
    9    HE1  MET   1           HE1      MET   1  18.938   1.008   5.111
   10    HE2  MET   1           HE2      MET   1  19.838  -0.505   4.997
   11    HE3  MET   1           HE3      MET   1  19.248   0.057   6.562
   12    H    LYS   2           HN       LYS   2  14.689   0.794   2.301
   13    HA   LYS   2           HA       LYS   2  13.764  -1.276   0.413
   14    HB2  LYS   2           HB2      LYS   2  12.638  -0.661   3.151
   15    HB3  LYS   2           HB1      LYS   2  12.098  -1.932   2.066
   16    HG2  LYS   2           HG2      LYS   2  14.313  -3.015   2.304
   17    HG3  LYS   2           HG1      LYS   2  14.747  -1.774   3.484
   18    HD2  LYS   2           HD2      LYS   2  12.757  -2.450   4.827
   19    HD3  LYS   2           HD1      LYS   2  12.508  -3.784   3.700
   20    HE2  LYS   2           HE2      LYS   2  14.754  -4.627   4.249
   21    HE3  LYS   2           HE1      LYS   2  14.938  -3.322   5.421
   22    HZ1  LYS   2           HZ1      LYS   2  12.869  -4.226   6.503
   23    HZ2  LYS   2           HZ2      LYS   2  14.252  -5.197   6.626
   24    HZ3  LYS   2           HZ3      LYS   2  13.038  -5.593   5.510
   25    HA   PRO   3           HA       PRO   3  10.927   1.969  -0.900
   26    HB2  PRO   3           HB2      PRO   3   9.504   0.414  -2.616
   27    HB3  PRO   3           HB1      PRO   3  11.084   1.104  -3.041
   28    HG2  PRO   3           HG2      PRO   3  10.415  -1.651  -2.071
   29    HG3  PRO   3           HG1      PRO   3  11.496  -1.156  -3.382
   30    HD2  PRO   3           HD2      PRO   3  12.424  -1.848  -0.941
   31    HD3  PRO   3           HD1      PRO   3  13.213  -0.602  -1.933
   32    H    TYR   4           HN       TYR   4   8.434   1.937  -1.054
   33    HA   TYR   4           HA       TYR   4   7.556   0.700   1.425
   34    HB2  TYR   4           HB2      TYR   4   6.234   2.857  -0.268
   35    HB3  TYR   4           HB1      TYR   4   5.597   2.212   1.248
   36    HD1  TYR   4           HD2      TYR   4   6.989   2.412   3.341
   37    HD2  TYR   4           HD1      TYR   4   7.875   4.580  -0.209
   38    HE1  TYR   4           HE2      TYR   4   8.399   3.944   4.642
   39    HE2  TYR   4           HE1      TYR   4   9.303   6.116   1.080
   40    HH   TYR   4           HH       TYR   4  10.355   5.452   4.212
   41    H    VAL   5           HN       VAL   5   7.299  -1.376   0.872
   42    HA   VAL   5           HA       VAL   5   5.733  -2.118  -1.432
   43    HB   VAL   5           HB       VAL   5   6.220  -4.425  -0.796
   44   HG11  VAL   5          HG11      VAL   5   7.871  -3.240  -2.121
   45   HG12  VAL   5          HG12      VAL   5   8.667  -4.355  -1.011
   46   HG13  VAL   5          HG13      VAL   5   8.637  -2.628  -0.655
   47   HG21  VAL   5          HG21      VAL   5   6.113  -4.227   1.627
   48   HG22  VAL   5          HG22      VAL   5   7.572  -3.235   1.626
   49   HG23  VAL   5          HG23      VAL   5   7.658  -4.927   1.137
   50    H    CYS   6           HN       CYS   6   3.793  -3.089  -1.433
   51    HA   CYS   6           HA       CYS   6   1.892  -2.440   0.504
   52    HB2  CYS   6           HB2      CYS   6   1.439  -3.005  -1.888
   53    HB3  CYS   6           HB1      CYS   6   1.753  -4.689  -1.506
   54    H    ILE   7           HN       ILE   7   1.211  -3.404   2.281
   55    HA   ILE   7           HA       ILE   7   2.831  -5.371   3.502
   56    HB   ILE   7           HB       ILE   7   0.218  -4.102   4.357
   57   HG12  ILE   7          HG12      ILE   7   1.787  -2.943   6.012
   58   HG13  ILE   7          HG11      ILE   7   3.109  -3.525   5.008
   59   HG21  ILE   7          HG21      ILE   7   0.700  -4.944   6.596
   60   HG22  ILE   7          HG22      ILE   7   2.101  -5.809   5.965
   61   HG23  ILE   7          HG23      ILE   7   0.477  -6.252   5.436
   62   HD11  ILE   7          HD11      ILE   7   2.454  -1.188   4.552
   63   HD12  ILE   7          HD12      ILE   7   0.872  -1.770   4.023
   64   HD13  ILE   7          HD13      ILE   7   2.325  -2.241   3.141
   65    H    HIS   8           HN       HIS   8  -0.065  -5.435   1.622
   66    HA   HIS   8           HA       HIS   8  -0.861  -8.037   2.682
   67    HB2  HIS   8           HB2      HIS   8  -2.592  -6.301   2.297
   68    HB3  HIS   8           HB1      HIS   8  -2.218  -6.335   0.571
   69    HD1  HIS   8           HD1      HIS   8  -4.328  -7.917   3.104
   70    HD2  HIS   8           HD2      HIS   8  -2.885  -8.902  -0.670
   71    HE1  HIS   8           HE1      HIS   8  -5.771  -9.809   2.294
   72    HE2  HIS   8           HE2      HIS   8  -4.727 -10.529   0.116
   73    H    CYS   9           HN       CYS   9   0.005  -6.617  -0.491
   74    HA   CYS   9           HA       CYS   9   0.059  -9.363  -1.526
   75    HB2  CYS   9           HB2      CYS   9  -0.618  -8.502  -3.622
   76    HB3  CYS   9           HB1      CYS   9  -1.618  -7.701  -2.426
   77    H    GLN  10           HN       GLN  10   2.075  -7.037  -0.494
   78    HA   GLN  10           HA       GLN  10   4.309  -6.744  -0.540
   79    HB2  GLN  10           HB2      GLN  10   4.192  -9.486  -1.798
   80    HB3  GLN  10           HB1      GLN  10   5.686  -8.703  -1.278
   81    HG2  GLN  10           HG2      GLN  10   4.915  -8.650   1.002
   82    HG3  GLN  10           HG1      GLN  10   3.347  -9.293   0.524
   83   HE21  GLN  10          HE21      GLN  10   6.369 -10.416  -0.831
   84   HE22  GLN  10          HE22      GLN  10   6.329 -11.987  -0.085
   85    H    ARG  11           HN       ARG  11   2.994  -5.451  -2.612
   86    HA   ARG  11           HA       ARG  11   4.867  -5.683  -4.845
   87    HB2  ARG  11           HB2      ARG  11   2.206  -4.277  -4.592
   88    HB3  ARG  11           HB1      ARG  11   3.253  -4.148  -5.999
   89    HG2  ARG  11           HG2      ARG  11   2.007  -6.688  -4.962
   90    HG3  ARG  11           HG1      ARG  11   1.450  -5.759  -6.350
   91    HD2  ARG  11           HD2      ARG  11   2.700  -7.565  -7.222
   92    HD3  ARG  11           HD1      ARG  11   3.729  -6.143  -7.370
   93    HE   ARG  11           HE       ARG  11   4.655  -7.075  -5.107
   94   HH11  ARG  11          HH11      ARG  11   3.703  -8.922  -7.925
   95   HH12  ARG  11          HH12      ARG  11   4.807 -10.225  -7.589
   96   HH21  ARG  11          HH21      ARG  11   6.124  -8.750  -4.686
   97   HH22  ARG  11          HH22      ARG  11   6.214 -10.115  -5.763
   98    H    GLN  12           HN       GLN  12   6.138  -3.954  -5.464
   99    HA   GLN  12           HA       GLN  12   6.878  -2.211  -3.307
  100    HB2  GLN  12           HB2      GLN  12   7.927  -2.574  -6.108
  101    HB3  GLN  12           HB1      GLN  12   8.598  -1.412  -4.978
  102    HG2  GLN  12           HG2      GLN  12   9.154  -3.212  -3.439
  103    HG3  GLN  12           HG1      GLN  12   8.462  -4.384  -4.556
  104   HE21  GLN  12          HE21      GLN  12  10.230  -1.625  -5.692
  105   HE22  GLN  12          HE22      GLN  12  11.647  -2.487  -6.213
  106    H    PHE  13           HN       PHE  13   6.424  -0.151  -3.009
  107    HA   PHE  13           HA       PHE  13   5.446   1.463  -5.258
  108    HB2  PHE  13           HB2      PHE  13   4.270   1.341  -2.470
  109    HB3  PHE  13           HB1      PHE  13   3.908   2.626  -3.630
  110    HD1  PHE  13           HD1      PHE  13   2.693   2.111  -5.702
  111    HD2  PHE  13           HD2      PHE  13   3.290  -0.817  -2.675
  112    HE1  PHE  13           HE1      PHE  13   0.925   0.724  -6.702
  113    HE2  PHE  13           HE2      PHE  13   1.526  -2.212  -3.671
  114    HZ   PHE  13           HZ       PHE  13   0.341  -1.442  -5.688
  115    H    ALA  14           HN       ALA  14   5.552   3.858  -4.668
  116    HA   ALA  14           HA       ALA  14   8.328   4.245  -3.862
  117    HB1  ALA  14           HB1      ALA  14   8.201   6.333  -5.053
  118    HB2  ALA  14           HB2      ALA  14   6.456   6.165  -5.229
  119    HB3  ALA  14           HB3      ALA  14   7.538   5.045  -6.059
  120    H    ASP  15           HN       ASP  15   5.103   5.280  -2.930
  121    HA   ASP  15           HA       ASP  15   6.317   6.930  -0.797
  122    HB2  ASP  15           HB2      ASP  15   4.821   7.974  -2.797
  123    HB3  ASP  15           HB1      ASP  15   3.555   7.510  -1.691
  124    HA   PRO  16           HA       PRO  16   3.733   4.592   2.068
  125    HB2  PRO  16           HB2      PRO  16   3.759   7.025   3.716
  126    HB3  PRO  16           HB1      PRO  16   4.389   5.422   4.094
  127    HG2  PRO  16           HG2      PRO  16   6.002   7.535   3.622
  128    HG3  PRO  16           HG1      PRO  16   6.453   5.874   3.188
  129    HD2  PRO  16           HD2      PRO  16   5.431   8.080   1.447
  130    HD3  PRO  16           HD1      PRO  16   6.675   6.863   1.099
  131    H    GLY  17           HN       GLY  17   3.254   7.800   0.859
  132    HA2  GLY  17           HA2      GLY  17   0.548   8.219   1.447
  133    HA3  GLY  17           HA1      GLY  17   1.428   8.867   0.055
  134    H    ALA  18           HN       ALA  18   2.098   6.543  -1.260
  135    HA   ALA  18           HA       ALA  18  -0.418   5.941  -2.485
  136    HB1  ALA  18           HB1      ALA  18   1.562   6.158  -3.869
  137    HB2  ALA  18           HB2      ALA  18   0.854   4.547  -4.019
  138    HB3  ALA  18           HB3      ALA  18   2.302   4.788  -3.041
  139    H    LEU  19           HN       LEU  19   1.663   4.369  -0.138
  140    HA   LEU  19           HA       LEU  19   0.557   1.797  -0.453
  141    HB2  LEU  19           HB2      LEU  19   2.121   3.171   1.683
  142    HB3  LEU  19           HB1      LEU  19   1.269   1.688   2.094
  143    HG   LEU  19           HG       LEU  19   3.506   2.052   0.116
  144   HD11  LEU  19          HD11      LEU  19   3.132   0.368   2.590
  145   HD12  LEU  19          HD12      LEU  19   4.188   1.770   2.412
  146   HD13  LEU  19          HD13      LEU  19   4.529   0.288   1.517
  147   HD21  LEU  19          HD21      LEU  19   1.711  -0.344   0.504
  148   HD22  LEU  19          HD22      LEU  19   3.214  -0.342  -0.414
  149   HD23  LEU  19          HD23      LEU  19   1.855   0.640  -0.952
  150    H    GLN  20           HN       GLN  20  -0.270   4.637   1.417
  151    HA   GLN  20           HA       GLN  20  -2.177   3.234   2.899
  152    HB2  GLN  20           HB2      GLN  20  -2.751   5.278   3.972
  153    HB3  GLN  20           HB1      GLN  20  -1.024   5.338   3.657
  154    HG2  GLN  20           HG2      GLN  20  -1.390   6.730   1.724
  155    HG3  GLN  20           HG1      GLN  20  -3.131   6.657   1.984
  156   HE21  GLN  20          HE21      GLN  20  -0.112   7.952   3.125
  157   HE22  GLN  20          HE22      GLN  20  -0.793   9.146   4.176
  158    H    ARG  21           HN       ARG  21  -2.227   5.166   0.116
  159    HA   ARG  21           HA       ARG  21  -5.049   5.213  -0.294
  160    HB2  ARG  21           HB2      ARG  21  -3.026   6.529  -1.446
  161    HB3  ARG  21           HB1      ARG  21  -3.157   5.224  -2.610
  162    HG2  ARG  21           HG2      ARG  21  -5.468   6.980  -1.810
  163    HG3  ARG  21           HG1      ARG  21  -4.432   7.282  -3.204
  164    HD2  ARG  21           HD2      ARG  21  -5.184   5.397  -4.329
  165    HD3  ARG  21           HD1      ARG  21  -5.773   4.633  -2.856
  166    HE   ARG  21           HE       ARG  21  -7.083   7.003  -4.017
  167   HH11  ARG  21          HH11      ARG  21  -7.177   3.780  -2.674
  168   HH12  ARG  21          HH12      ARG  21  -8.916   3.653  -2.745
  169   HH21  ARG  21          HH21      ARG  21  -9.374   6.864  -4.096
  170   HH22  ARG  21          HH22      ARG  21 -10.151   5.405  -3.548
  171    H    HIS  22           HN       HIS  22  -2.421   3.087  -1.026
  172    HA   HIS  22           HA       HIS  22  -3.757   1.343  -2.825
  173    HB2  HIS  22           HB2      HIS  22  -1.277   1.520  -2.488
  174    HB3  HIS  22           HB1      HIS  22  -1.474   0.636  -0.991
  175    HD1  HIS  22           HD1      HIS  22  -2.360   0.096  -4.673
  176    HD2  HIS  22           HD2      HIS  22  -1.187  -1.959  -1.265
  177    HE1  HIS  22           HE1      HIS  22  -2.116  -2.320  -5.360
  178    H    VAL  23           HN       VAL  23  -3.328   1.333   0.677
  179    HA   VAL  23           HA       VAL  23  -4.163  -1.324   0.919
  180    HB   VAL  23           HB       VAL  23  -4.171   0.830   3.043
  181   HG11  VAL  23          HG11      VAL  23  -5.676  -0.964   3.672
  182   HG12  VAL  23          HG12      VAL  23  -4.207  -1.052   4.643
  183   HG13  VAL  23          HG13      VAL  23  -4.442  -2.167   3.293
  184   HG21  VAL  23          HG21      VAL  23  -2.070  -0.185   3.760
  185   HG22  VAL  23          HG22      VAL  23  -1.959   0.354   2.080
  186   HG23  VAL  23          HG23      VAL  23  -2.175  -1.359   2.448
  187    H    ARG  24           HN       ARG  24  -5.869   1.767   1.050
  188    HA   ARG  24           HA       ARG  24  -8.427   0.780   1.671
  189    HB2  ARG  24           HB2      ARG  24  -7.795   3.101  -0.152
  190    HB3  ARG  24           HB1      ARG  24  -9.263   2.851   0.785
  191    HG2  ARG  24           HG2      ARG  24  -6.541   3.231   1.995
  192    HG3  ARG  24           HG1      ARG  24  -7.691   4.529   1.727
  193    HD2  ARG  24           HD2      ARG  24  -8.151   2.093   3.444
  194    HD3  ARG  24           HD1      ARG  24  -7.755   3.705   4.036
  195    HE   ARG  24           HE       ARG  24 -10.290   2.900   2.785
  196   HH11  ARG  24          HH11      ARG  24  -8.393   5.229   4.579
  197   HH12  ARG  24          HH12      ARG  24  -9.772   6.163   5.073
  198   HH21  ARG  24          HH21      ARG  24 -12.124   4.091   3.498
  199   HH22  ARG  24          HH22      ARG  24 -11.879   5.502   4.486
  200    H    ILE  25           HN       ILE  25  -6.558   0.789  -1.266
  201    HA   ILE  25           HA       ILE  25  -8.517   0.220  -3.173
  202    HB   ILE  25           HB       ILE  25  -5.609  -0.541  -2.984
  203   HG12  ILE  25          HG12      ILE  25  -6.254   1.871  -3.222
  204   HG13  ILE  25          HG11      ILE  25  -5.220   1.264  -4.507
  205   HG21  ILE  25          HG21      ILE  25  -6.550  -2.218  -4.358
  206   HG22  ILE  25          HG22      ILE  25  -5.757  -1.055  -5.423
  207   HG23  ILE  25          HG23      ILE  25  -7.511  -1.040  -5.248
  208   HD11  ILE  25          HD11      ILE  25  -6.946   2.686  -5.410
  209   HD12  ILE  25          HD12      ILE  25  -8.196   1.711  -4.643
  210   HD13  ILE  25          HD13      ILE  25  -7.217   1.027  -5.938
  211    H    HIS  26           HN       HIS  26  -6.489  -1.992  -1.243
  212    HA   HIS  26           HA       HIS  26  -7.634  -4.388  -2.183
  213    HB2  HIS  26           HB2      HIS  26  -6.099  -3.663   0.290
  214    HB3  HIS  26           HB1      HIS  26  -6.828  -5.255   0.151
  215    HD1  HIS  26           HD1      HIS  26  -6.136  -5.962  -2.773
  216    HD2  HIS  26           HD2      HIS  26  -3.504  -4.156  -0.092
  217    HE1  HIS  26           HE1      HIS  26  -3.775  -6.537  -3.565
  218    H    THR  27           HN       THR  27  -8.649  -2.101   0.227
  219    HA   THR  27           HA       THR  27 -10.372  -3.843   1.661
  220    HB   THR  27           HB       THR  27 -10.857  -0.886   1.540
  221    HG1  THR  27           HG1      THR  27  -8.468  -2.057   2.082
  222   HG21  THR  27          HG21      THR  27 -11.227  -1.217   3.948
  223   HG22  THR  27          HG22      THR  27 -10.827  -2.926   3.764
  224   HG23  THR  27          HG23      THR  27 -12.262  -2.266   2.981
  225    H    GLY  28           HN       GLY  28 -10.685  -2.005  -1.271
  226    HA2  GLY  28           HA2      GLY  28 -12.233  -2.404  -2.957
  227    HA3  GLY  28           HA1      GLY  28 -13.131  -3.429  -1.851
  228    H    GLU  29           HN       GLU  29 -12.821  -0.856  -0.026
  229    HA   GLU  29           HA       GLU  29 -15.482   0.001  -0.515
  230    HB2  GLU  29           HB2      GLU  29 -15.069   1.581   1.358
  231    HB3  GLU  29           HB1      GLU  29 -14.745  -0.104   1.744
  232    HG2  GLU  29           HG2      GLU  29 -12.412   0.223   1.577
  233    HG3  GLU  29           HG1      GLU  29 -12.625   1.840   0.911
  234    H    LYS  30           HN       LYS  30 -12.325   1.281  -1.273
  235    HA   LYS  30           HA       LYS  30 -13.555   3.214  -3.033
  236    HB2  LYS  30           HB2      LYS  30 -13.373   4.383  -0.820
  237    HB3  LYS  30           HB1      LYS  30 -11.630   4.161  -0.900
  238    HG2  LYS  30           HG2      LYS  30 -12.222   6.397  -1.600
  239    HG3  LYS  30           HG1      LYS  30 -11.567   5.489  -2.964
  240    HD2  LYS  30           HD2      LYS  30 -13.871   5.027  -3.723
  241    HD3  LYS  30           HD1      LYS  30 -14.485   6.012  -2.394
  242    HE2  LYS  30           HE2      LYS  30 -13.284   7.952  -3.291
  243    HE3  LYS  30           HE1      LYS  30 -12.691   6.964  -4.625
  244    HZ1  LYS  30           HZ1      LYS  30 -14.606   8.260  -5.299
  245    HZ2  LYS  30           HZ2      LYS  30 -15.538   7.591  -4.051
  246    HZ3  LYS  30           HZ3      LYS  30 -14.986   6.606  -5.321
  Start of MODEL    3
    1    H1   MET   1           HT1      MET   1  16.155  -0.306   1.273
    2    H2   MET   1           HT2      MET   1  15.867  -0.113  -0.389
    3    H3   MET   1           HT3      MET   1  15.952  -1.664   0.279
    4    HA   MET   1           HA       MET   1  13.686  -0.958  -0.214
    5    HB2  MET   1           HB2      MET   1  12.732  -1.592   1.979
    6    HB3  MET   1           HB1      MET   1  14.042  -2.651   1.482
    7    HG2  MET   1           HG2      MET   1  15.563  -1.526   2.993
    8    HG3  MET   1           HG1      MET   1  14.294  -0.394   3.456
    9    HE1  MET   1           HE1      MET   1  14.634  -0.900   6.010
   10    HE2  MET   1           HE2      MET   1  15.950  -2.004   5.614
   11    HE3  MET   1           HE3      MET   1  14.662  -2.526   6.698
   12    H    LYS   2           HN       LYS   2  14.615   1.494  -0.574
   13    HA   LYS   2           HA       LYS   2  13.819   3.375   1.395
   14    HB2  LYS   2           HB2      LYS   2  14.444   3.561  -1.529
   15    HB3  LYS   2           HB1      LYS   2  13.683   4.925  -0.725
   16    HG2  LYS   2           HG2      LYS   2  16.054   5.251  -0.785
   17    HG3  LYS   2           HG1      LYS   2  15.549   4.981   0.883
   18    HD2  LYS   2           HD2      LYS   2  16.233   2.609   0.646
   19    HD3  LYS   2           HD1      LYS   2  16.848   2.982  -0.965
   20    HE2  LYS   2           HE2      LYS   2  18.636   2.995   0.702
   21    HE3  LYS   2           HE1      LYS   2  18.406   4.594  -0.007
   22    HZ1  LYS   2           HZ1      LYS   2  17.285   5.332   1.928
   23    HZ2  LYS   2           HZ2      LYS   2  18.700   4.560   2.454
   24    HZ3  LYS   2           HZ3      LYS   2  17.202   3.772   2.578
   25    HA   PRO   3           HA       PRO   3   9.632   3.492  -1.202
   26    HB2  PRO   3           HB2      PRO   3   9.844   0.735  -2.308
   27    HB3  PRO   3           HB1      PRO   3   9.097   2.182  -3.009
   28    HG2  PRO   3           HG2      PRO   3  11.411   1.361  -3.922
   29    HG3  PRO   3           HG1      PRO   3  11.137   3.088  -3.616
   30    HD2  PRO   3           HD2      PRO   3  12.618   1.089  -1.927
   31    HD3  PRO   3           HD1      PRO   3  13.086   2.747  -2.370
   32    H    TYR   4           HN       TYR   4   7.670   2.193  -0.913
   33    HA   TYR   4           HA       TYR   4   7.883   0.583   1.536
   34    HB2  TYR   4           HB2      TYR   4   5.846   2.680   0.749
   35    HB3  TYR   4           HB1      TYR   4   5.564   1.499   2.039
   36    HD1  TYR   4           HD1      TYR   4   7.528   4.448   1.053
   37    HD2  TYR   4           HD2      TYR   4   6.784   1.593   4.120
   38    HE1  TYR   4           HE1      TYR   4   8.772   5.843   2.652
   39    HE2  TYR   4           HE2      TYR   4   8.020   2.983   5.721
   40    HH   TYR   4           HH       TYR   4   9.777   4.715   5.675
   41    H    VAL   5           HN       VAL   5   7.051  -1.369   1.436
   42    HA   VAL   5           HA       VAL   5   5.831  -2.156  -1.088
   43    HB   VAL   5           HB       VAL   5   6.472  -4.362  -0.622
   44   HG11  VAL   5          HG11      VAL   5   8.665  -2.657   0.528
   45   HG12  VAL   5          HG12      VAL   5   8.310  -2.817  -1.191
   46   HG13  VAL   5          HG13      VAL   5   8.845  -4.221  -0.267
   47   HG21  VAL   5          HG21      VAL   5   7.361  -5.120   1.546
   48   HG22  VAL   5          HG22      VAL   5   5.691  -4.559   1.666
   49   HG23  VAL   5          HG23      VAL   5   7.011  -3.528   2.223
   50    H    CYS   6           HN       CYS   6   3.932  -3.318  -1.235
   51    HA   CYS   6           HA       CYS   6   1.924  -2.737   0.689
   52    HB2  CYS   6           HB2      CYS   6   1.460  -3.011  -1.737
   53    HB3  CYS   6           HB1      CYS   6   1.813  -4.728  -1.587
   54    H    ILE   7           HN       ILE   7   1.254  -3.855   2.368
   55    HA   ILE   7           HA       ILE   7   2.759  -6.045   3.338
   56    HB   ILE   7           HB       ILE   7   0.187  -4.787   4.324
   57   HG12  ILE   7          HG12      ILE   7   1.760  -3.893   6.128
   58   HG13  ILE   7          HG11      ILE   7   3.083  -4.373   5.074
   59   HG21  ILE   7          HG21      ILE   7   0.580  -5.915   6.427
   60   HG22  ILE   7          HG22      ILE   7   2.002  -6.708   5.751
   61   HG23  ILE   7          HG23      ILE   7   0.401  -7.073   5.110
   62   HD11  ILE   7          HD11      ILE   7   0.905  -2.450   4.291
   63   HD12  ILE   7          HD12      ILE   7   2.374  -2.828   3.388
   64   HD13  ILE   7          HD13      ILE   7   2.478  -1.977   4.931
   65    H    HIS   8           HN       HIS   8  -0.154  -5.720   1.484
   66    HA   HIS   8           HA       HIS   8  -1.150  -8.322   2.330
   67    HB2  HIS   8           HB2      HIS   8  -2.615  -6.247   2.024
   68    HB3  HIS   8           HB1      HIS   8  -2.430  -6.513   0.287
   69    HD1  HIS   8           HD1      HIS   8  -4.883  -6.957   2.627
   70    HD2  HIS   8           HD2      HIS   8  -3.133  -9.599  -0.068
   71    HE1  HIS   8           HE1      HIS   8  -6.547  -8.819   2.322
   72    HE2  HIS   8           HE2      HIS   8  -5.413 -10.479   0.799
   73    H    CYS   9           HN       CYS   9   0.063  -6.779  -0.669
   74    HA   CYS   9           HA       CYS   9  -0.150  -9.443  -1.892
   75    HB2  CYS   9           HB2      CYS   9  -0.807  -8.455  -3.928
   76    HB3  CYS   9           HB1      CYS   9  -1.784  -7.705  -2.680
   77    H    GLN  10           HN       GLN  10   1.994  -7.223  -0.828
   78    HA   GLN  10           HA       GLN  10   4.242  -7.096  -0.892
   79    HB2  GLN  10           HB2      GLN  10   4.071  -9.613  -2.556
   80    HB3  GLN  10           HB1      GLN  10   5.515  -9.002  -1.740
   81    HG2  GLN  10           HG2      GLN  10   4.435  -9.300   0.420
   82    HG3  GLN  10           HG1      GLN  10   2.972  -9.879  -0.377
   83   HE21  GLN  10          HE21      GLN  10   6.205 -10.635   0.600
   84   HE22  GLN  10          HE22      GLN  10   6.125 -12.341   0.238
   85    H    ARG  11           HN       ARG  11   3.271  -5.308  -2.463
   86    HA   ARG  11           HA       ARG  11   4.893  -5.375  -4.913
   87    HB2  ARG  11           HB2      ARG  11   2.192  -4.173  -4.335
   88    HB3  ARG  11           HB1      ARG  11   3.197  -3.563  -5.639
   89    HG2  ARG  11           HG2      ARG  11   2.581  -6.475  -5.511
   90    HG3  ARG  11           HG1      ARG  11   1.353  -5.349  -6.092
   91    HD2  ARG  11           HD2      ARG  11   2.412  -5.938  -8.050
   92    HD3  ARG  11           HD1      ARG  11   3.265  -4.462  -7.612
   93    HE   ARG  11           HE       ARG  11   4.393  -7.077  -6.888
   94   HH11  ARG  11          HH11      ARG  11   4.663  -3.989  -8.510
   95   HH12  ARG  11          HH12      ARG  11   6.245  -4.323  -9.154
   96   HH21  ARG  11          HH21      ARG  11   6.462  -7.529  -7.721
   97   HH22  ARG  11          HH22      ARG  11   7.266  -6.340  -8.701
   98    H    GLN  12           HN       GLN  12   6.439  -3.770  -5.028
   99    HA   GLN  12           HA       GLN  12   6.733  -1.971  -2.814
  100    HB2  GLN  12           HB2      GLN  12   8.279  -2.099  -5.406
  101    HB3  GLN  12           HB1      GLN  12   8.730  -1.173  -3.991
  102    HG2  GLN  12           HG2      GLN  12   8.695  -3.469  -2.791
  103    HG3  GLN  12           HG1      GLN  12   8.816  -4.116  -4.425
  104   HE21  GLN  12          HE21      GLN  12  10.689  -3.707  -5.642
  105   HE22  GLN  12          HE22      GLN  12  12.162  -3.164  -4.890
  106    H    PHE  13           HN       PHE  13   6.069   0.074  -2.628
  107    HA   PHE  13           HA       PHE  13   5.414   1.548  -5.094
  108    HB2  PHE  13           HB2      PHE  13   3.900   1.458  -2.491
  109    HB3  PHE  13           HB1      PHE  13   3.715   2.795  -3.634
  110    HD1  PHE  13           HD1      PHE  13   2.649   2.476  -5.764
  111    HD2  PHE  13           HD2      PHE  13   3.089  -0.759  -3.036
  112    HE1  PHE  13           HE1      PHE  13   1.035   1.161  -7.073
  113    HE2  PHE  13           HE2      PHE  13   1.477  -2.081  -4.342
  114    HZ   PHE  13           HZ       PHE  13   0.450  -1.123  -6.362
  115    H    ALA  14           HN       ALA  14   5.744   3.841  -4.995
  116    HA   ALA  14           HA       ALA  14   8.369   4.226  -3.912
  117    HB1  ALA  14           HB1      ALA  14   7.718   4.905  -6.183
  118    HB2  ALA  14           HB2      ALA  14   8.419   6.221  -5.239
  119    HB3  ALA  14           HB3      ALA  14   6.673   6.144  -5.482
  120    H    ASP  15           HN       ASP  15   5.307   4.950  -2.641
  121    HA   ASP  15           HA       ASP  15   6.470   6.953  -0.841
  122    HB2  ASP  15           HB2      ASP  15   5.129   7.926  -2.929
  123    HB3  ASP  15           HB1      ASP  15   3.758   7.504  -1.936
  124    HA   PRO  16           HA       PRO  16   3.751   4.973   2.165
  125    HB2  PRO  16           HB2      PRO  16   3.684   7.599   3.502
  126    HB3  PRO  16           HB1      PRO  16   4.276   6.053   4.115
  127    HG2  PRO  16           HG2      PRO  16   5.937   8.075   3.481
  128    HG3  PRO  16           HG1      PRO  16   6.391   6.374   3.253
  129    HD2  PRO  16           HD2      PRO  16   5.459   8.382   1.238
  130    HD3  PRO  16           HD1      PRO  16   6.718   7.139   1.082
  131    H    GLY  17           HN       GLY  17   3.280   8.000   0.553
  132    HA2  GLY  17           HA2      GLY  17   0.557   8.469   0.942
  133    HA3  GLY  17           HA1      GLY  17   1.481   8.874  -0.507
  134    H    ALA  18           HN       ALA  18   2.157   6.605  -1.616
  135    HA   ALA  18           HA       ALA  18  -0.243   5.725  -2.801
  136    HB1  ALA  18           HB1      ALA  18   2.508   4.517  -2.945
  137    HB2  ALA  18           HB2      ALA  18   1.809   5.694  -4.063
  138    HB3  ALA  18           HB3      ALA  18   1.136   4.062  -3.957
  139    H    LEU  19           HN       LEU  19   1.555   4.560  -0.039
  140    HA   LEU  19           HA       LEU  19   0.478   1.937  -0.107
  141    HB2  LEU  19           HB2      LEU  19   2.133   3.518   1.743
  142    HB3  LEU  19           HB1      LEU  19   1.064   2.360   2.529
  143    HG   LEU  19           HG       LEU  19   3.314   1.446   2.132
  144   HD11  LEU  19          HD11      LEU  19   2.603  -0.650   1.084
  145   HD12  LEU  19          HD12      LEU  19   1.131   0.137   0.516
  146   HD13  LEU  19          HD13      LEU  19   1.412  -0.061   2.246
  147   HD21  LEU  19          HD21      LEU  19   2.628   1.674  -0.795
  148   HD22  LEU  19          HD22      LEU  19   4.091   0.969  -0.098
  149   HD23  LEU  19          HD23      LEU  19   3.783   2.699   0.057
  150    H    GLN  20           HN       GLN  20  -0.453   5.013   1.245
  151    HA   GLN  20           HA       GLN  20  -2.537   3.887   2.739
  152    HB2  GLN  20           HB2      GLN  20  -2.100   6.728   1.877
  153    HB3  GLN  20           HB1      GLN  20  -3.393   6.236   2.960
  154    HG2  GLN  20           HG2      GLN  20  -1.735   5.446   4.570
  155    HG3  GLN  20           HG1      GLN  20  -0.443   5.960   3.485
  156   HE21  GLN  20          HE21      GLN  20   0.387   7.393   5.004
  157   HE22  GLN  20          HE22      GLN  20  -0.397   8.888   5.389
  158    H    ARG  21           HN       ARG  21  -2.299   5.380  -0.337
  159    HA   ARG  21           HA       ARG  21  -5.020   5.255  -1.100
  160    HB2  ARG  21           HB2      ARG  21  -2.414   5.500  -2.488
  161    HB3  ARG  21           HB1      ARG  21  -3.721   4.837  -3.447
  162    HG2  ARG  21           HG2      ARG  21  -3.818   7.088  -3.928
  163    HG3  ARG  21           HG1      ARG  21  -5.041   6.912  -2.674
  164    HD2  ARG  21           HD2      ARG  21  -2.223   7.685  -2.000
  165    HD3  ARG  21           HD1      ARG  21  -3.392   8.887  -2.536
  166    HE   ARG  21           HE       ARG  21  -4.643   7.564  -0.492
  167   HH11  ARG  21          HH11      ARG  21  -1.636   9.323  -0.861
  168   HH12  ARG  21          HH12      ARG  21  -1.600   9.858   0.797
  169   HH21  ARG  21          HH21      ARG  21  -4.624   8.284   1.658
  170   HH22  ARG  21          HH22      ARG  21  -3.304   9.263   2.231
  171    H    HIS  22           HN       HIS  22  -2.371   3.008  -1.097
  172    HA   HIS  22           HA       HIS  22  -3.583   1.115  -2.871
  173    HB2  HIS  22           HB2      HIS  22  -1.106   1.474  -2.475
  174    HB3  HIS  22           HB1      HIS  22  -1.307   0.585  -0.977
  175    HD1  HIS  22           HD1      HIS  22  -2.005   0.025  -4.691
  176    HD2  HIS  22           HD2      HIS  22  -0.957  -2.015  -1.227
  177    HE1  HIS  22           HE1      HIS  22  -1.625  -2.378  -5.369
  178    H    VAL  23           HN       VAL  23  -3.028   1.246   0.626
  179    HA   VAL  23           HA       VAL  23  -3.859  -1.407   0.967
  180    HB   VAL  23           HB       VAL  23  -3.618   0.788   3.032
  181   HG11  VAL  23          HG11      VAL  23  -4.058  -2.178   3.408
  182   HG12  VAL  23          HG12      VAL  23  -5.168  -0.882   3.860
  183   HG13  VAL  23          HG13      VAL  23  -3.622  -1.049   4.694
  184   HG21  VAL  23          HG21      VAL  23  -1.813  -1.537   2.345
  185   HG22  VAL  23          HG22      VAL  23  -1.543  -0.366   3.635
  186   HG23  VAL  23          HG23      VAL  23  -1.515   0.157   1.951
  187    H    ARG  24           HN       ARG  24  -5.565   1.682   1.074
  188    HA   ARG  24           HA       ARG  24  -7.998   0.497   2.030
  189    HB2  ARG  24           HB2      ARG  24  -9.068   2.606   1.572
  190    HB3  ARG  24           HB1      ARG  24  -7.534   2.889   2.376
  191    HG2  ARG  24           HG2      ARG  24  -6.524   3.631   0.361
  192    HG3  ARG  24           HG1      ARG  24  -7.908   3.098  -0.597
  193    HD2  ARG  24           HD2      ARG  24  -7.896   5.534  -0.228
  194    HD3  ARG  24           HD1      ARG  24  -9.323   4.752   0.452
  195    HE   ARG  24           HE       ARG  24  -7.010   5.420   2.151
  196   HH11  ARG  24          HH11      ARG  24 -10.418   5.659   1.398
  197   HH12  ARG  24          HH12      ARG  24 -10.810   6.510   2.862
  198   HH21  ARG  24          HH21      ARG  24  -7.516   6.534   4.073
  199   HH22  ARG  24          HH22      ARG  24  -9.157   7.014   4.385
  200    H    ILE  25           HN       ILE  25  -6.415   0.524  -0.966
  201    HA   ILE  25           HA       ILE  25  -8.682   0.145  -2.642
  202    HB   ILE  25           HB       ILE  25  -5.758  -0.495  -2.935
  203   HG12  ILE  25          HG12      ILE  25  -6.341   1.800  -3.279
  204   HG13  ILE  25          HG11      ILE  25  -5.967   1.096  -4.839
  205   HG21  ILE  25          HG21      ILE  25  -6.857  -2.317  -4.030
  206   HG22  ILE  25          HG22      ILE  25  -6.199  -1.209  -5.237
  207   HG23  ILE  25          HG23      ILE  25  -7.924  -1.200  -4.884
  208   HD11  ILE  25          HD11      ILE  25  -7.881   2.561  -4.995
  209   HD12  ILE  25          HD12      ILE  25  -8.716   1.641  -3.742
  210   HD13  ILE  25          HD13      ILE  25  -8.363   0.894  -5.301
  211    H    HIS  26           HN       HIS  26  -6.462  -2.072  -0.938
  212    HA   HIS  26           HA       HIS  26  -7.762  -4.461  -1.739
  213    HB2  HIS  26           HB2      HIS  26  -5.971  -3.814   0.595
  214    HB3  HIS  26           HB1      HIS  26  -6.698  -5.402   0.409
  215    HD1  HIS  26           HD1      HIS  26  -6.189  -6.009  -2.556
  216    HD2  HIS  26           HD2      HIS  26  -3.430  -4.196  -0.017
  217    HE1  HIS  26           HE1      HIS  26  -3.878  -6.478  -3.534
  218    H    THR  27           HN       THR  27  -7.970  -2.517   1.229
  219    HA   THR  27           HA       THR  27 -10.206  -4.121   2.134
  220    HB   THR  27           HB       THR  27  -8.403  -3.413   3.723
  221    HG1  THR  27           HG1      THR  27 -10.305  -4.030   4.656
  222   HG21  THR  27          HG21      THR  27  -9.688  -0.695   3.471
  223   HG22  THR  27          HG22      THR  27  -8.056  -1.120   2.938
  224   HG23  THR  27          HG23      THR  27  -8.464  -1.155   4.656
  225    H    GLY  28           HN       GLY  28 -10.968  -3.045  -0.130
  226    HA2  GLY  28           HA2      GLY  28 -12.300  -0.538   0.063
  227    HA3  GLY  28           HA1      GLY  28 -12.618  -1.791  -1.132
  228    H    GLU  29           HN       GLU  29 -12.985  -1.377   2.357
  229    HA   GLU  29           HA       GLU  29 -15.333  -2.995   2.475
  230    HB2  GLU  29           HB2      GLU  29 -13.813  -1.332   4.470
  231    HB3  GLU  29           HB1      GLU  29 -15.239  -2.253   4.890
  232    HG2  GLU  29           HG2      GLU  29 -12.621  -3.312   3.883
  233    HG3  GLU  29           HG1      GLU  29 -13.331  -3.537   5.480
  234    H    LYS  30           HN       LYS  30 -14.576   0.429   2.707
  235    HA   LYS  30           HA       LYS  30 -17.382   1.004   2.154
  236    HB2  LYS  30           HB2      LYS  30 -17.022   1.269   4.603
  237    HB3  LYS  30           HB1      LYS  30 -15.785   2.473   4.260
  238    HG2  LYS  30           HG2      LYS  30 -17.956   3.467   4.855
  239    HG3  LYS  30           HG1      LYS  30 -17.414   3.925   3.239
  240    HD2  LYS  30           HD2      LYS  30 -18.842   2.058   2.348
  241    HD3  LYS  30           HD1      LYS  30 -19.507   1.886   3.973
  242    HE2  LYS  30           HE2      LYS  30 -19.573   4.417   2.338
  243    HE3  LYS  30           HE1      LYS  30 -20.906   3.270   2.472
  244    HZ1  LYS  30           HZ1      LYS  30 -20.958   3.687   4.860
  245    HZ2  LYS  30           HZ2      LYS  30 -21.207   5.109   3.977
  246    HZ3  LYS  30           HZ3      LYS  30 -19.703   4.818   4.708
  Start of MODEL    4
    1    H1   MET   1           HT1      MET   1  17.893   3.105   1.728
    2    H2   MET   1           HT2      MET   1  16.889   4.444   1.992
    3    H3   MET   1           HT3      MET   1  18.263   4.599   1.018
    4    HA   MET   1           HA       MET   1  16.255   4.495  -0.309
    5    HB2  MET   1           HB2      MET   1  18.047   2.068  -0.520
    6    HB3  MET   1           HB1      MET   1  16.932   2.594  -1.772
    7    HG2  MET   1           HG2      MET   1  18.158   4.662  -2.036
    8    HG3  MET   1           HG1      MET   1  19.245   4.207  -0.723
    9    HE1  MET   1           HE1      MET   1  20.225   5.102  -3.658
   10    HE2  MET   1           HE2      MET   1  21.542   3.948  -3.874
   11    HE3  MET   1           HE3      MET   1  21.284   4.712  -2.304
   12    H    LYS   2           HN       LYS   2  14.921   3.966   1.865
   13    HA   LYS   2           HA       LYS   2  13.953   1.220   1.868
   14    HB2  LYS   2           HB2      LYS   2  14.329   2.242   4.026
   15    HB3  LYS   2           HB1      LYS   2  13.314   3.611   3.606
   16    HG2  LYS   2           HG2      LYS   2  12.148   2.131   5.110
   17    HG3  LYS   2           HG1      LYS   2  11.361   2.128   3.530
   18    HD2  LYS   2           HD2      LYS   2  12.464   0.027   2.974
   19    HD3  LYS   2           HD1      LYS   2  13.297   0.041   4.530
   20    HE2  LYS   2           HE2      LYS   2  11.130  -0.055   5.680
   21    HE3  LYS   2           HE1      LYS   2  10.310  -0.096   4.120
   22    HZ1  LYS   2           HZ1      LYS   2  10.573  -2.299   5.143
   23    HZ2  LYS   2           HZ2      LYS   2  12.259  -2.131   5.047
   24    HZ3  LYS   2           HZ3      LYS   2  11.332  -2.192   3.627
   25    HA   PRO   3           HA       PRO   3  10.523   2.608  -0.708
   26    HB2  PRO   3           HB2      PRO   3   9.855   0.220  -1.672
   27    HB3  PRO   3           HB1      PRO   3  11.340   1.025  -2.219
   28    HG2  PRO   3           HG2      PRO   3  11.001  -1.175  -0.215
   29    HG3  PRO   3           HG1      PRO   3  12.218  -0.994  -1.488
   30    HD2  PRO   3           HD2      PRO   3  12.614  -0.340   1.169
   31    HD3  PRO   3           HD1      PRO   3  13.550   0.328  -0.183
   32    H    TYR   4           HN       TYR   4   8.215   1.768  -0.831
   33    HA   TYR   4           HA       TYR   4   7.405   0.724   1.785
   34    HB2  TYR   4           HB2      TYR   4   5.968   2.802   0.095
   35    HB3  TYR   4           HB1      TYR   4   5.392   2.121   1.618
   36    HD1  TYR   4           HD2      TYR   4   6.414   2.728   3.739
   37    HD2  TYR   4           HD1      TYR   4   7.830   4.367   0.083
   38    HE1  TYR   4           HE2      TYR   4   7.602   4.475   4.990
   39    HE2  TYR   4           HE1      TYR   4   9.020   6.127   1.322
   40    HH   TYR   4           HH       TYR   4   9.509   5.995   4.683
   41    H    VAL   5           HN       VAL   5   6.571  -1.207   1.619
   42    HA   VAL   5           HA       VAL   5   5.647  -2.076  -1.021
   43    HB   VAL   5           HB       VAL   5   6.253  -4.333  -0.349
   44   HG11  VAL   5          HG11      VAL   5   8.686  -4.066  -0.254
   45   HG12  VAL   5          HG12      VAL   5   8.476  -2.362   0.147
   46   HG13  VAL   5          HG13      VAL   5   7.954  -2.969  -1.424
   47   HG21  VAL   5          HG21      VAL   5   7.470  -4.759   1.741
   48   HG22  VAL   5          HG22      VAL   5   5.821  -4.210   2.035
   49   HG23  VAL   5          HG23      VAL   5   7.171  -3.095   2.239
   50    H    CYS   6           HN       CYS   6   3.697  -3.009  -1.284
   51    HA   CYS   6           HA       CYS   6   1.682  -2.690   0.654
   52    HB2  CYS   6           HB2      CYS   6   1.251  -2.913  -1.804
   53    HB3  CYS   6           HB1      CYS   6   1.632  -4.627  -1.670
   54    H    ILE   7           HN       ILE   7   1.230  -3.849   2.366
   55    HA   ILE   7           HA       ILE   7   2.821  -6.060   3.120
   56    HB   ILE   7           HB       ILE   7   0.307  -4.929   4.374
   57   HG12  ILE   7          HG12      ILE   7   2.054  -4.040   6.062
   58   HG13  ILE   7          HG11      ILE   7   3.228  -4.326   4.783
   59   HG21  ILE   7          HG21      ILE   7   2.357  -6.808   5.506
   60   HG22  ILE   7          HG22      ILE   7   0.692  -7.198   5.082
   61   HG23  ILE   7          HG23      ILE   7   1.025  -6.081   6.405
   62   HD11  ILE   7          HD11      ILE   7   2.351  -1.985   4.966
   63   HD12  ILE   7          HD12      ILE   7   0.792  -2.608   4.419
   64   HD13  ILE   7          HD13      ILE   7   2.207  -2.725   3.373
   65    H    HIS   8           HN       HIS   8  -0.170  -5.673   1.451
   66    HA   HIS   8           HA       HIS   8  -1.162  -8.263   2.327
   67    HB2  HIS   8           HB2      HIS   8  -2.526  -6.028   2.042
   68    HB3  HIS   8           HB1      HIS   8  -2.645  -6.572   0.361
   69    HD1  HIS   8           HD1      HIS   8  -4.975  -6.403   2.642
   70    HD2  HIS   8           HD2      HIS   8  -3.105  -9.808   1.139
   71    HE1  HIS   8           HE1      HIS   8  -6.574  -8.304   3.051
   72    HE2  HIS   8           HE2      HIS   8  -5.339 -10.370   2.308
   73    H    CYS   9           HN       CYS   9  -0.149  -6.697  -0.736
   74    HA   CYS   9           HA       CYS   9  -0.391  -9.364  -1.937
   75    HB2  CYS   9           HB2      CYS   9  -1.014  -8.383  -3.998
   76    HB3  CYS   9           HB1      CYS   9  -2.001  -7.627  -2.760
   77    H    GLN  10           HN       GLN  10   1.779  -7.123  -0.935
   78    HA   GLN  10           HA       GLN  10   4.017  -6.956  -1.050
   79    HB2  GLN  10           HB2      GLN  10   3.816  -9.535  -2.606
   80    HB3  GLN  10           HB1      GLN  10   5.314  -8.843  -1.980
   81    HG2  GLN  10           HG2      GLN  10   4.433  -9.035   0.299
   82    HG3  GLN  10           HG1      GLN  10   2.958  -9.758  -0.343
   83   HE21  GLN  10          HE21      GLN  10   6.123 -10.392  -1.671
   84   HE22  GLN  10          HE22      GLN  10   6.223 -12.050  -1.148
   85    H    ARG  11           HN       ARG  11   3.637  -5.049  -2.352
   86    HA   ARG  11           HA       ARG  11   5.072  -5.270  -4.879
   87    HB2  ARG  11           HB2      ARG  11   2.551  -3.692  -4.351
   88    HB3  ARG  11           HB1      ARG  11   3.593  -3.435  -5.740
   89    HG2  ARG  11           HG2      ARG  11   3.178  -5.788  -6.420
   90    HG3  ARG  11           HG1      ARG  11   2.037  -5.921  -5.078
   91    HD2  ARG  11           HD2      ARG  11   0.806  -3.972  -6.048
   92    HD3  ARG  11           HD1      ARG  11   1.863  -4.078  -7.453
   93    HE   ARG  11           HE       ARG  11   0.617  -6.577  -6.915
   94   HH11  ARG  11          HH11      ARG  11   0.104  -3.422  -8.343
   95   HH12  ARG  11          HH12      ARG  11  -1.265  -3.932  -9.292
   96   HH21  ARG  11          HH21      ARG  11  -1.138  -7.266  -8.189
   97   HH22  ARG  11          HH22      ARG  11  -1.965  -6.135  -9.216
   98    H    GLN  12           HN       GLN  12   6.685  -3.751  -5.045
   99    HA   GLN  12           HA       GLN  12   7.110  -2.057  -2.733
  100    HB2  GLN  12           HB2      GLN  12   8.873  -2.328  -5.160
  101    HB3  GLN  12           HB1      GLN  12   9.315  -1.724  -3.579
  102    HG2  GLN  12           HG2      GLN  12   8.828  -4.017  -2.680
  103    HG3  GLN  12           HG1      GLN  12   8.710  -4.552  -4.356
  104   HE21  GLN  12          HE21      GLN  12  10.573  -4.480  -5.672
  105   HE22  GLN  12          HE22      GLN  12  12.167  -4.428  -4.967
  106    H    PHE  13           HN       PHE  13   6.199  -0.102  -2.702
  107    HA   PHE  13           HA       PHE  13   6.128   1.464  -5.202
  108    HB2  PHE  13           HB2      PHE  13   4.486   1.798  -2.674
  109    HB3  PHE  13           HB1      PHE  13   4.406   2.856  -4.086
  110    HD1  PHE  13           HD1      PHE  13   3.507   2.013  -6.211
  111    HD2  PHE  13           HD2      PHE  13   3.387  -0.307  -2.647
  112    HE1  PHE  13           HE1      PHE  13   1.806   0.555  -7.224
  113    HE2  PHE  13           HE2      PHE  13   1.687  -1.770  -3.653
  114    HZ   PHE  13           HZ       PHE  13   0.897  -1.340  -5.946
  115    H    ALA  14           HN       ALA  14   6.355   3.860  -4.841
  116    HA   ALA  14           HA       ALA  14   8.889   4.274  -3.507
  117    HB1  ALA  14           HB1      ALA  14   9.023   6.294  -4.722
  118    HB2  ALA  14           HB2      ALA  14   7.282   6.329  -4.998
  119    HB3  ALA  14           HB3      ALA  14   8.284   5.124  -5.820
  120    H    ASP  15           HN       ASP  15   5.563   5.325  -3.118
  121    HA   ASP  15           HA       ASP  15   6.439   7.169  -1.000
  122    HB2  ASP  15           HB2      ASP  15   4.120   7.463  -2.920
  123    HB3  ASP  15           HB1      ASP  15   4.497   8.564  -1.612
  124    HA   PRO  16           HA       PRO  16   3.711   5.023   1.790
  125    HB2  PRO  16           HB2      PRO  16   3.540   7.572   3.247
  126    HB3  PRO  16           HB1      PRO  16   4.198   6.021   3.778
  127    HG2  PRO  16           HG2      PRO  16   5.776   8.139   3.248
  128    HG3  PRO  16           HG1      PRO  16   6.293   6.471   2.944
  129    HD2  PRO  16           HD2      PRO  16   5.304   8.534   1.012
  130    HD3  PRO  16           HD1      PRO  16   6.612   7.338   0.826
  131    H    GLY  17           HN       GLY  17   3.043   8.140   0.354
  132    HA2  GLY  17           HA2      GLY  17   0.316   8.384   1.013
  133    HA3  GLY  17           HA1      GLY  17   1.100   9.101  -0.390
  134    H    ALA  18           HN       ALA  18   1.958   6.567  -1.509
  135    HA   ALA  18           HA       ALA  18  -0.519   5.849  -2.788
  136    HB1  ALA  18           HB1      ALA  18   1.453   5.963  -4.173
  137    HB2  ALA  18           HB2      ALA  18   0.848   4.305  -4.126
  138    HB3  ALA  18           HB3      ALA  18   2.261   4.755  -3.172
  139    H    LEU  19           HN       LEU  19   1.549   4.521  -0.289
  140    HA   LEU  19           HA       LEU  19   0.495   1.901  -0.414
  141    HB2  LEU  19           HB2      LEU  19   2.258   3.421   1.382
  142    HB3  LEU  19           HB1      LEU  19   1.278   2.203   2.193
  143    HG   LEU  19           HG       LEU  19   3.499   1.356   1.562
  144   HD11  LEU  19          HD11      LEU  19   2.733  -0.691   0.470
  145   HD12  LEU  19          HD12      LEU  19   1.222   0.107   0.028
  146   HD13  LEU  19          HD13      LEU  19   1.605  -0.178   1.727
  147   HD21  LEU  19          HD21      LEU  19   4.074   1.012  -0.755
  148   HD22  LEU  19          HD22      LEU  19   3.788   2.730  -0.457
  149   HD23  LEU  19          HD23      LEU  19   2.559   1.759  -1.270
  150    H    GLN  20           HN       GLN  20  -0.404   4.878   1.163
  151    HA   GLN  20           HA       GLN  20  -2.266   3.580   2.806
  152    HB2  GLN  20           HB2      GLN  20  -2.952   5.733   3.601
  153    HB3  GLN  20           HB1      GLN  20  -1.213   5.767   3.379
  154    HG2  GLN  20           HG2      GLN  20  -1.542   6.872   1.206
  155    HG3  GLN  20           HG1      GLN  20  -3.271   6.931   1.540
  156   HE21  GLN  20          HE21      GLN  20  -2.853   7.428   4.399
  157   HE22  GLN  20          HE22      GLN  20  -2.361   9.090   4.517
  158    H    ARG  21           HN       ARG  21  -2.366   5.213  -0.172
  159    HA   ARG  21           HA       ARG  21  -5.176   5.076  -0.603
  160    HB2  ARG  21           HB2      ARG  21  -3.177   6.345  -1.868
  161    HB3  ARG  21           HB1      ARG  21  -3.290   4.937  -2.906
  162    HG2  ARG  21           HG2      ARG  21  -5.641   6.692  -2.250
  163    HG3  ARG  21           HG1      ARG  21  -4.607   6.931  -3.656
  164    HD2  ARG  21           HD2      ARG  21  -5.183   4.715  -4.477
  165    HD3  ARG  21           HD1      ARG  21  -6.173   4.426  -3.045
  166    HE   ARG  21           HE       ARG  21  -7.214   6.707  -4.128
  167   HH11  ARG  21          HH11      ARG  21  -6.604   3.485  -5.337
  168   HH12  ARG  21          HH12      ARG  21  -7.932   3.511  -6.455
  169   HH21  ARG  21          HH21      ARG  21  -8.956   6.753  -5.578
  170   HH22  ARG  21          HH22      ARG  21  -9.275   5.380  -6.599
  171    H    HIS  22           HN       HIS  22  -2.451   2.992  -1.078
  172    HA   HIS  22           HA       HIS  22  -3.704   1.095  -2.812
  173    HB2  HIS  22           HB2      HIS  22  -1.217   1.494  -2.426
  174    HB3  HIS  22           HB1      HIS  22  -1.392   0.531  -0.974
  175    HD1  HIS  22           HD1      HIS  22  -1.648   0.205  -4.748
  176    HD2  HIS  22           HD2      HIS  22  -1.416  -2.128  -1.318
  177    HE1  HIS  22           HE1      HIS  22  -1.283  -2.177  -5.528
  178    H    VAL  23           HN       VAL  23  -2.974   1.086   0.662
  179    HA   VAL  23           HA       VAL  23  -3.850  -1.548   1.002
  180    HB   VAL  23           HB       VAL  23  -3.523   0.630   3.080
  181   HG11  VAL  23          HG11      VAL  23  -5.033  -1.074   3.922
  182   HG12  VAL  23          HG12      VAL  23  -3.469  -1.198   4.728
  183   HG13  VAL  23          HG13      VAL  23  -3.899  -2.342   3.454
  184   HG21  VAL  23          HG21      VAL  23  -1.722  -1.677   2.336
  185   HG22  VAL  23          HG22      VAL  23  -1.410  -0.465   3.580
  186   HG23  VAL  23          HG23      VAL  23  -1.467   0.008   1.882
  187    H    ARG  24           HN       ARG  24  -5.455   1.558   1.196
  188    HA   ARG  24           HA       ARG  24  -7.899   0.508   2.252
  189    HB2  ARG  24           HB2      ARG  24  -7.421   3.126   0.818
  190    HB3  ARG  24           HB1      ARG  24  -8.860   2.699   1.730
  191    HG2  ARG  24           HG2      ARG  24  -7.253   2.377   3.710
  192    HG3  ARG  24           HG1      ARG  24  -6.109   3.297   2.732
  193    HD2  ARG  24           HD2      ARG  24  -7.186   4.885   4.098
  194    HD3  ARG  24           HD1      ARG  24  -7.937   5.047   2.509
  195    HE   ARG  24           HE       ARG  24  -9.335   3.218   4.225
  196   HH11  ARG  24          HH11      ARG  24  -8.932   6.620   3.448
  197   HH12  ARG  24          HH12      ARG  24 -10.493   7.078   4.064
  198   HH21  ARG  24          HH21      ARG  24 -11.400   3.802   4.984
  199   HH22  ARG  24          HH22      ARG  24 -11.914   5.466   4.915
  200    H    ILE  25           HN       ILE  25  -6.447   0.345  -0.781
  201    HA   ILE  25           HA       ILE  25  -8.813   0.161  -2.373
  202    HB   ILE  25           HB       ILE  25  -5.964  -0.727  -2.807
  203   HG12  ILE  25          HG12      ILE  25  -7.667   1.282  -4.281
  204   HG13  ILE  25          HG11      ILE  25  -6.544   1.679  -2.995
  205   HG21  ILE  25          HG21      ILE  25  -7.311  -2.378  -3.905
  206   HG22  ILE  25          HG22      ILE  25  -6.600  -1.301  -5.109
  207   HG23  ILE  25          HG23      ILE  25  -8.293  -1.119  -4.656
  208   HD11  ILE  25          HD11      ILE  25  -5.583   2.119  -5.179
  209   HD12  ILE  25          HD12      ILE  25  -5.815   0.426  -5.624
  210   HD13  ILE  25          HD13      ILE  25  -4.692   0.856  -4.333
  211    H    HIS  26           HN       HIS  26  -6.622  -2.191  -0.854
  212    HA   HIS  26           HA       HIS  26  -7.979  -4.503  -1.718
  213    HB2  HIS  26           HB2      HIS  26  -6.176  -3.999   0.638
  214    HB3  HIS  26           HB1      HIS  26  -6.890  -5.574   0.342
  215    HD1  HIS  26           HD1      HIS  26  -6.377  -6.005  -2.637
  216    HD2  HIS  26           HD2      HIS  26  -3.625  -4.258  -0.037
  217    HE1  HIS  26           HE1      HIS  26  -4.069  -6.412  -3.634
  218    H    THR  27           HN       THR  27  -8.207  -2.696   1.332
  219    HA   THR  27           HA       THR  27 -10.234  -4.521   2.301
  220    HB   THR  27           HB       THR  27  -9.253  -2.031   3.686
  221    HG1  THR  27           HG1      THR  27  -7.511  -3.188   4.380
  222   HG21  THR  27          HG21      THR  27  -9.767  -3.359   5.708
  223   HG22  THR  27          HG22      THR  27 -10.365  -4.663   4.680
  224   HG23  THR  27          HG23      THR  27 -11.192  -3.105   4.699
  225    H    GLY  28           HN       GLY  28 -10.085  -1.340   0.902
  226    HA2  GLY  28           HA2      GLY  28 -11.808  -0.104  -0.012
  227    HA3  GLY  28           HA1      GLY  28 -12.934  -1.339   0.535
  228    H    GLU  29           HN       GLU  29 -13.002  -1.387   3.080
  229    HA   GLU  29           HA       GLU  29 -14.112   1.175   3.811
  230    HB2  GLU  29           HB2      GLU  29 -13.819  -1.298   5.519
  231    HB3  GLU  29           HB1      GLU  29 -14.898   0.060   5.802
  232    HG2  GLU  29           HG2      GLU  29 -16.188  -0.523   3.842
  233    HG3  GLU  29           HG1      GLU  29 -15.079  -1.847   3.482
  234    H    LYS  30           HN       LYS  30 -11.638  -0.965   5.112
  235    HA   LYS  30           HA       LYS  30 -10.783   1.021   7.040
  236    HB2  LYS  30           HB2      LYS  30  -9.520  -1.677   6.549
  237    HB3  LYS  30           HB1      LYS  30  -9.485  -0.714   8.020
  238    HG2  LYS  30           HG2      LYS  30 -11.966  -1.974   6.869
  239    HG3  LYS  30           HG1      LYS  30 -10.976  -2.690   8.141
  240    HD2  LYS  30           HD2      LYS  30 -11.588  -1.089   9.701
  241    HD3  LYS  30           HD1      LYS  30 -12.052   0.082   8.463
  242    HE2  LYS  30           HE2      LYS  30 -13.956  -0.976   9.726
  243    HE3  LYS  30           HE1      LYS  30 -14.050  -1.089   7.971
  244    HZ1  LYS  30           HZ1      LYS  30 -13.262  -3.353   8.086
  245    HZ2  LYS  30           HZ2      LYS  30 -14.630  -3.176   9.072
  246    HZ3  LYS  30           HZ3      LYS  30 -13.093  -3.251   9.770
  Start of MODEL    5
    1    H1   MET   1           HT1      MET   1  12.087  -0.632   2.172
    2    H2   MET   1           HT2      MET   1  10.739  -0.091   3.040
    3    H3   MET   1           HT3      MET   1  11.625  -1.418   3.594
    4    HA   MET   1           HA       MET   1  12.133   0.534   4.890
    5    HB2  MET   1           HB2      MET   1  14.364  -0.362   3.050
    6    HB3  MET   1           HB1      MET   1  14.605   0.547   4.535
    7    HG2  MET   1           HG2      MET   1  13.677  -1.287   5.830
    8    HG3  MET   1           HG1      MET   1  13.371  -2.194   4.350
    9    HE1  MET   1           HE1      MET   1  15.267  -3.130   2.771
   10    HE2  MET   1           HE2      MET   1  16.994  -2.934   3.072
   11    HE3  MET   1           HE3      MET   1  16.012  -1.537   2.639
   12    H    LYS   2           HN       LYS   2  13.989   1.127   1.921
   13    HA   LYS   2           HA       LYS   2  13.508   3.947   2.123
   14    HB2  LYS   2           HB2      LYS   2  14.772   2.399  -0.150
   15    HB3  LYS   2           HB1      LYS   2  14.847   4.140   0.088
   16    HG2  LYS   2           HG2      LYS   2  16.115   3.828   2.132
   17    HG3  LYS   2           HG1      LYS   2  16.006   2.077   1.950
   18    HD2  LYS   2           HD2      LYS   2  18.157   2.774   1.166
   19    HD3  LYS   2           HD1      LYS   2  17.190   2.301  -0.231
   20    HE2  LYS   2           HE2      LYS   2  16.717   4.621  -0.730
   21    HE3  LYS   2           HE1      LYS   2  17.576   5.136   0.720
   22    HZ1  LYS   2           HZ1      LYS   2  18.777   3.748  -1.617
   23    HZ2  LYS   2           HZ2      LYS   2  19.606   4.186  -0.204
   24    HZ3  LYS   2           HZ3      LYS   2  18.967   5.385  -1.219
   25    HA   PRO   3           HA       PRO   3  10.310   3.104  -1.293
   26    HB2  PRO   3           HB2      PRO   3   9.984   0.664  -2.336
   27    HB3  PRO   3           HB1      PRO   3  11.212   1.771  -2.979
   28    HG2  PRO   3           HG2      PRO   3  11.534  -0.522  -1.080
   29    HG3  PRO   3           HG1      PRO   3  12.524  -0.074  -2.475
   30    HD2  PRO   3           HD2      PRO   3  13.182   0.551   0.108
   31    HD3  PRO   3           HD1      PRO   3  13.692   1.511  -1.296
   32    H    TYR   4           HN       TYR   4   8.171   1.908  -1.257
   33    HA   TYR   4           HA       TYR   4   7.780   0.753   1.409
   34    HB2  TYR   4           HB2      TYR   4   5.994   2.787   0.023
   35    HB3  TYR   4           HB1      TYR   4   5.728   2.054   1.605
   36    HD1  TYR   4           HD2      TYR   4   7.263   2.571   3.499
   37    HD2  TYR   4           HD1      TYR   4   7.533   4.587  -0.239
   38    HE1  TYR   4           HE2      TYR   4   8.555   4.367   4.570
   39    HE2  TYR   4           HE1      TYR   4   8.820   6.390   0.822
   40    HH   TYR   4           HH       TYR   4   9.137   7.349   3.070
   41    H    VAL   5           HN       VAL   5   6.938  -1.192   1.300
   42    HA   VAL   5           HA       VAL   5   5.753  -2.029  -1.241
   43    HB   VAL   5           HB       VAL   5   6.410  -4.241  -0.727
   44   HG11  VAL   5          HG11      VAL   5   8.617  -2.389   0.143
   45   HG12  VAL   5          HG12      VAL   5   8.206  -2.812  -1.519
   46   HG13  VAL   5          HG13      VAL   5   8.827  -4.046  -0.424
   47   HG21  VAL   5          HG21      VAL   5   7.416  -4.923   1.400
   48   HG22  VAL   5          HG22      VAL   5   5.777  -4.316   1.631
   49   HG23  VAL   5          HG23      VAL   5   7.158  -3.301   2.038
   50    H    CYS   6           HN       CYS   6   3.821  -3.140  -1.333
   51    HA   CYS   6           HA       CYS   6   1.888  -2.657   0.682
   52    HB2  CYS   6           HB2      CYS   6   1.260  -2.959  -1.680
   53    HB3  CYS   6           HB1      CYS   6   1.788  -4.634  -1.610
   54    H    ILE   7           HN       ILE   7   1.321  -3.810   2.393
   55    HA   ILE   7           HA       ILE   7   2.982  -5.982   3.215
   56    HB   ILE   7           HB       ILE   7   0.590  -4.664   4.529
   57   HG12  ILE   7          HG12      ILE   7   2.447  -3.810   6.093
   58   HG13  ILE   7          HG11      ILE   7   3.569  -4.290   4.826
   59   HG21  ILE   7          HG21      ILE   7   1.336  -5.780   6.586
   60   HG22  ILE   7          HG22      ILE   7   2.541  -6.663   5.645
   61   HG23  ILE   7          HG23      ILE   7   0.822  -6.915   5.338
   62   HD11  ILE   7          HD11      ILE   7   2.508  -2.765   3.274
   63   HD12  ILE   7          HD12      ILE   7   3.022  -1.911   4.733
   64   HD13  ILE   7          HD13      ILE   7   1.321  -2.318   4.500
   65    H    HIS   8           HN       HIS   8  -0.063  -5.589   1.672
   66    HA   HIS   8           HA       HIS   8  -1.122  -8.104   2.663
   67    HB2  HIS   8           HB2      HIS   8  -2.479  -5.953   2.338
   68    HB3  HIS   8           HB1      HIS   8  -2.428  -6.321   0.613
   69    HD1  HIS   8           HD1      HIS   8  -3.560  -7.990   3.851
   70    HD2  HIS   8           HD2      HIS   8  -4.487  -7.891  -0.201
   71    HE1  HIS   8           HE1      HIS   8  -5.640  -9.369   3.593
   72    HE2  HIS   8           HE2      HIS   8  -6.324  -9.048   1.197
   73    H    CYS   9           HN       CYS   9  -0.142  -6.734  -0.515
   74    HA   CYS   9           HA       CYS   9  -0.314  -9.489  -1.522
   75    HB2  CYS   9           HB2      CYS   9  -0.885  -8.653  -3.674
   76    HB3  CYS   9           HB1      CYS   9  -1.938  -7.871  -2.510
   77    H    GLN  10           HN       GLN  10   1.769  -7.004  -0.769
   78    HA   GLN  10           HA       GLN  10   4.005  -6.794  -0.833
   79    HB2  GLN  10           HB2      GLN  10   3.925  -9.565  -2.030
   80    HB3  GLN  10           HB1      GLN  10   5.382  -8.751  -1.451
   81    HG2  GLN  10           HG2      GLN  10   4.472  -8.664   0.793
   82    HG3  GLN  10           HG1      GLN  10   2.973  -9.403   0.234
   83   HE21  GLN  10          HE21      GLN  10   4.825 -10.294   2.267
   84   HE22  GLN  10          HE22      GLN  10   5.376 -11.879   1.781
   85    H    ARG  11           HN       ARG  11   3.621  -5.094  -2.347
   86    HA   ARG  11           HA       ARG  11   5.112  -5.539  -4.805
   87    HB2  ARG  11           HB2      ARG  11   2.300  -4.614  -4.585
   88    HB3  ARG  11           HB1      ARG  11   3.334  -3.742  -5.714
   89    HG2  ARG  11           HG2      ARG  11   2.925  -6.729  -5.713
   90    HG3  ARG  11           HG1      ARG  11   2.090  -5.590  -6.777
   91    HD2  ARG  11           HD2      ARG  11   3.947  -5.182  -8.027
   92    HD3  ARG  11           HD1      ARG  11   5.046  -5.445  -6.676
   93    HE   ARG  11           HE       ARG  11   3.733  -7.833  -7.606
   94   HH11  ARG  11          HH11      ARG  11   6.474  -5.691  -7.983
   95   HH12  ARG  11          HH12      ARG  11   7.495  -6.911  -8.692
   96   HH21  ARG  11          HH21      ARG  11   5.072  -9.455  -8.535
   97   HH22  ARG  11          HH22      ARG  11   6.694  -9.044  -9.011
   98    H    GLN  12           HN       GLN  12   6.308  -3.699  -5.472
   99    HA   GLN  12           HA       GLN  12   7.019  -2.021  -3.240
  100    HB2  GLN  12           HB2      GLN  12   8.167  -1.698  -5.990
  101    HB3  GLN  12           HB1      GLN  12   8.938  -1.467  -4.433
  102    HG2  GLN  12           HG2      GLN  12   8.132  -4.108  -5.562
  103    HG3  GLN  12           HG1      GLN  12   9.756  -3.439  -5.664
  104   HE21  GLN  12          HE21      GLN  12  10.974  -3.239  -3.748
  105   HE22  GLN  12          HE22      GLN  12  10.592  -4.197  -2.336
  106    H    PHE  13           HN       PHE  13   6.661   0.068  -2.993
  107    HA   PHE  13           HA       PHE  13   5.662   1.663  -5.243
  108    HB2  PHE  13           HB2      PHE  13   4.411   1.469  -2.501
  109    HB3  PHE  13           HB1      PHE  13   4.111   2.831  -3.586
  110    HD1  PHE  13           HD1      PHE  13   2.912   2.486  -5.697
  111    HD2  PHE  13           HD2      PHE  13   3.438  -0.660  -2.885
  112    HE1  PHE  13           HE1      PHE  13   1.115   1.211  -6.789
  113    HE2  PHE  13           HE2      PHE  13   1.646  -1.943  -3.970
  114    HZ   PHE  13           HZ       PHE  13   0.554  -1.028  -6.016
  115    H    ALA  14           HN       ALA  14   5.776   4.035  -4.734
  116    HA   ALA  14           HA       ALA  14   8.513   4.456  -3.837
  117    HB1  ALA  14           HB1      ALA  14   8.414   6.522  -5.061
  118    HB2  ALA  14           HB2      ALA  14   6.673   6.344  -5.283
  119    HB3  ALA  14           HB3      ALA  14   7.782   5.215  -6.064
  120    H    ASP  15           HN       ASP  15   5.344   5.092  -2.676
  121    HA   ASP  15           HA       ASP  15   6.441   6.887  -0.626
  122    HB2  ASP  15           HB2      ASP  15   5.165   8.037  -2.692
  123    HB3  ASP  15           HB1      ASP  15   3.775   7.580  -1.739
  124    HA   PRO  16           HA       PRO  16   3.566   4.631   2.033
  125    HB2  PRO  16           HB2      PRO  16   3.496   7.070   3.681
  126    HB3  PRO  16           HB1      PRO  16   4.060   5.451   4.109
  127    HG2  PRO  16           HG2      PRO  16   5.761   7.505   3.785
  128    HG3  PRO  16           HG1      PRO  16   6.191   5.842   3.342
  129    HD2  PRO  16           HD2      PRO  16   5.319   8.109   1.581
  130    HD3  PRO  16           HD1      PRO  16   6.595   6.903   1.309
  131    H    GLY  17           HN       GLY  17   3.213   7.835   0.773
  132    HA2  GLY  17           HA2      GLY  17   0.505   8.347   1.135
  133    HA3  GLY  17           HA1      GLY  17   1.473   8.857  -0.255
  134    H    ALA  18           HN       ALA  18   2.122   6.468  -1.388
  135    HA   ALA  18           HA       ALA  18  -0.357   5.805  -2.665
  136    HB1  ALA  18           HB1      ALA  18   2.390   4.655  -3.065
  137    HB2  ALA  18           HB2      ALA  18   1.638   5.938  -4.016
  138    HB3  ALA  18           HB3      ALA  18   0.974   4.301  -4.050
  139    H    LEU  19           HN       LEU  19   1.534   4.470  -0.090
  140    HA   LEU  19           HA       LEU  19   0.475   1.838  -0.288
  141    HB2  LEU  19           HB2      LEU  19   2.215   3.313   1.565
  142    HB3  LEU  19           HB1      LEU  19   1.185   2.113   2.344
  143    HG   LEU  19           HG       LEU  19   3.402   1.215   1.775
  144   HD11  LEU  19          HD11      LEU  19   1.138   0.026   0.182
  145   HD12  LEU  19          HD12      LEU  19   1.473  -0.271   1.887
  146   HD13  LEU  19          HD13      LEU  19   2.617  -0.809   0.654
  147   HD21  LEU  19          HD21      LEU  19   2.559   1.695  -1.078
  148   HD22  LEU  19          HD22      LEU  19   4.012   0.847  -0.550
  149   HD23  LEU  19          HD23      LEU  19   3.827   2.568  -0.217
  150    H    GLN  20           HN       GLN  20  -0.384   4.816   1.323
  151    HA   GLN  20           HA       GLN  20  -2.376   3.542   2.840
  152    HB2  GLN  20           HB2      GLN  20  -2.952   5.654   3.732
  153    HB3  GLN  20           HB1      GLN  20  -1.216   5.699   3.467
  154    HG2  GLN  20           HG2      GLN  20  -1.631   6.882   1.331
  155    HG3  GLN  20           HG1      GLN  20  -3.336   6.969   1.774
  156   HE21  GLN  20          HE21      GLN  20  -3.967   8.274   3.506
  157   HE22  GLN  20          HE22      GLN  20  -2.936   9.511   4.136
  158    H    ARG  21           HN       ARG  21  -2.245   5.244  -0.110
  159    HA   ARG  21           HA       ARG  21  -5.024   5.158  -0.722
  160    HB2  ARG  21           HB2      ARG  21  -2.686   6.115  -1.987
  161    HB3  ARG  21           HB1      ARG  21  -3.377   4.932  -3.089
  162    HG2  ARG  21           HG2      ARG  21  -4.324   6.963  -3.733
  163    HG3  ARG  21           HG1      ARG  21  -5.581   6.173  -2.777
  164    HD2  ARG  21           HD2      ARG  21  -5.503   8.447  -2.083
  165    HD3  ARG  21           HD1      ARG  21  -4.766   7.488  -0.799
  166    HE   ARG  21           HE       ARG  21  -2.928   8.602  -2.744
  167   HH11  ARG  21          HH11      ARG  21  -4.483   8.991   0.375
  168   HH12  ARG  21          HH12      ARG  21  -3.331  10.176   0.935
  169   HH21  ARG  21          HH21      ARG  21  -1.426  10.165  -2.014
  170   HH22  ARG  21          HH22      ARG  21  -1.585  10.818  -0.409
  171    H    HIS  22           HN       HIS  22  -2.352   2.970  -0.957
  172    HA   HIS  22           HA       HIS  22  -3.508   1.088  -2.760
  173    HB2  HIS  22           HB2      HIS  22  -1.057   1.385  -2.163
  174    HB3  HIS  22           HB1      HIS  22  -1.402   0.487  -0.700
  175    HD1  HIS  22           HD1      HIS  22  -1.528   0.008  -4.482
  176    HD2  HIS  22           HD2      HIS  22  -1.327  -2.156  -0.938
  177    HE1  HIS  22           HE1      HIS  22  -1.183  -2.406  -5.142
  178    H    VAL  23           HN       VAL  23  -3.181   1.193   0.775
  179    HA   VAL  23           HA       VAL  23  -4.214  -1.390   1.079
  180    HB   VAL  23           HB       VAL  23  -4.148   0.809   3.160
  181   HG11  VAL  23          HG11      VAL  23  -4.453  -2.180   3.485
  182   HG12  VAL  23          HG12      VAL  23  -5.727  -0.983   3.728
  183   HG13  VAL  23          HG13      VAL  23  -4.322  -1.004   4.794
  184   HG21  VAL  23          HG21      VAL  23  -1.928   0.249   2.258
  185   HG22  VAL  23          HG22      VAL  23  -2.206  -1.451   2.645
  186   HG23  VAL  23          HG23      VAL  23  -2.097  -0.256   3.939
  187    H    ARG  24           HN       ARG  24  -5.664   1.806   1.007
  188    HA   ARG  24           HA       ARG  24  -8.308   1.184   1.605
  189    HB2  ARG  24           HB2      ARG  24  -7.043   3.181  -0.255
  190    HB3  ARG  24           HB1      ARG  24  -8.782   3.120   0.010
  191    HG2  ARG  24           HG2      ARG  24  -6.883   3.334   2.307
  192    HG3  ARG  24           HG1      ARG  24  -7.370   4.753   1.392
  193    HD2  ARG  24           HD2      ARG  24  -9.075   2.884   3.012
  194    HD3  ARG  24           HD1      ARG  24  -8.889   4.629   3.194
  195    HE   ARG  24           HE       ARG  24  -9.935   4.414   0.724
  196   HH11  ARG  24          HH11      ARG  24 -10.933   3.177   3.845
  197   HH12  ARG  24          HH12      ARG  24 -12.604   2.986   3.368
  198   HH21  ARG  24          HH21      ARG  24 -12.094   4.181   0.105
  199   HH22  ARG  24          HH22      ARG  24 -13.259   3.530   1.233
  200    H    ILE  25           HN       ILE  25  -6.425   0.567  -1.281
  201    HA   ILE  25           HA       ILE  25  -8.542   0.011  -3.055
  202    HB   ILE  25           HB       ILE  25  -5.667  -0.909  -3.012
  203   HG12  ILE  25          HG12      ILE  25  -7.110   1.077  -4.770
  204   HG13  ILE  25          HG11      ILE  25  -6.107   1.485  -3.392
  205   HG21  ILE  25          HG21      ILE  25  -6.013  -1.593  -5.347
  206   HG22  ILE  25          HG22      ILE  25  -7.745  -1.353  -5.129
  207   HG23  ILE  25          HG23      ILE  25  -6.898  -2.586  -4.191
  208   HD11  ILE  25          HD11      ILE  25  -4.165   0.528  -4.499
  209   HD12  ILE  25          HD12      ILE  25  -4.909   1.792  -5.478
  210   HD13  ILE  25          HD13      ILE  25  -5.169   0.094  -5.881
  211    H    HIS  26           HN       HIS  26  -6.479  -2.175  -1.123
  212    HA   HIS  26           HA       HIS  26  -7.891  -4.532  -1.758
  213    HB2  HIS  26           HB2      HIS  26  -6.180  -3.805   0.613
  214    HB3  HIS  26           HB1      HIS  26  -6.926  -5.386   0.451
  215    HD1  HIS  26           HD1      HIS  26  -6.275  -6.195  -2.399
  216    HD2  HIS  26           HD2      HIS  26  -3.621  -4.138   0.069
  217    HE1  HIS  26           HE1      HIS  26  -3.930  -6.727  -3.251
  218    H    THR  27           HN       THR  27  -8.191  -2.276   0.954
  219    HA   THR  27           HA       THR  27 -10.377  -3.794   2.106
  220    HB   THR  27           HB       THR  27  -9.482  -1.085   3.064
  221    HG1  THR  27           HG1      THR  27  -7.533  -2.046   3.052
  222   HG21  THR  27          HG21      THR  27 -10.449  -3.574   4.483
  223   HG22  THR  27          HG22      THR  27 -11.413  -2.134   4.156
  224   HG23  THR  27          HG23      THR  27 -10.037  -2.042   5.256
  225    H    GLY  28           HN       GLY  28 -11.166  -3.086  -0.348
  226    HA2  GLY  28           HA2      GLY  28 -12.507  -0.539  -0.403
  227    HA3  GLY  28           HA1      GLY  28 -12.591  -1.791  -1.628
  228    H    GLU  29           HN       GLU  29 -13.356  -2.206   1.782
  229    HA   GLU  29           HA       GLU  29 -16.006  -3.147   1.122
  230    HB2  GLU  29           HB2      GLU  29 -14.731  -2.684   3.828
  231    HB3  GLU  29           HB1      GLU  29 -16.211  -3.584   3.522
  232    HG2  GLU  29           HG2      GLU  29 -14.984  -5.269   2.307
  233    HG3  GLU  29           HG1      GLU  29 -13.493  -4.343   2.475
  234    H    LYS  30           HN       LYS  30 -14.477  -0.346   2.530
  235    HA   LYS  30           HA       LYS  30 -16.719   1.290   1.827
  236    HB2  LYS  30           HB2      LYS  30 -17.353   0.454   4.104
  237    HB3  LYS  30           HB1      LYS  30 -15.892   1.201   4.738
  238    HG2  LYS  30           HG2      LYS  30 -16.720   3.391   3.914
  239    HG3  LYS  30           HG1      LYS  30 -18.224   2.597   3.447
  240    HD2  LYS  30           HD2      LYS  30 -18.582   1.932   5.787
  241    HD3  LYS  30           HD1      LYS  30 -17.091   2.761   6.238
  242    HE2  LYS  30           HE2      LYS  30 -19.551   4.025   5.039
  243    HE3  LYS  30           HE1      LYS  30 -19.020   4.159   6.714
  244    HZ1  LYS  30           HZ1      LYS  30 -18.442   6.102   5.325
  245    HZ2  LYS  30           HZ2      LYS  30 -17.434   5.113   4.387
  246    HZ3  LYS  30           HZ3      LYS  30 -17.089   5.361   6.029
  Start of MODEL    6
    1    H1   MET   1           HT1      MET   1  17.115   6.299   3.382
    2    H2   MET   1           HT2      MET   1  17.082   5.794   1.762
    3    H3   MET   1           HT3      MET   1  17.489   4.696   2.990
    4    HA   MET   1           HA       MET   1  15.294   4.828   3.913
    5    HB2  MET   1           HB2      MET   1  14.879   6.774   1.645
    6    HB3  MET   1           HB1      MET   1  13.536   5.939   2.408
    7    HG2  MET   1           HG2      MET   1  13.708   8.090   3.390
    8    HG3  MET   1           HG1      MET   1  14.253   6.913   4.585
    9    HE1  MET   1           HE1      MET   1  14.802  10.038   4.843
   10    HE2  MET   1           HE2      MET   1  16.476  10.016   5.392
   11    HE3  MET   1           HE3      MET   1  15.326   8.835   6.023
   12    H    LYS   2           HN       LYS   2  13.900   3.206   3.358
   13    HA   LYS   2           HA       LYS   2  14.449   1.887   0.786
   14    HB2  LYS   2           HB2      LYS   2  13.607  -0.174   1.867
   15    HB3  LYS   2           HB1      LYS   2  15.008   0.488   2.695
   16    HG2  LYS   2           HG2      LYS   2  13.549   1.454   4.399
   17    HG3  LYS   2           HG1      LYS   2  12.140   0.789   3.567
   18    HD2  LYS   2           HD2      LYS   2  13.110  -1.481   3.874
   19    HD3  LYS   2           HD1      LYS   2  14.403  -0.756   4.832
   20    HE2  LYS   2           HE2      LYS   2  12.704  -1.637   6.305
   21    HE3  LYS   2           HE1      LYS   2  12.703   0.123   6.395
   22    HZ1  LYS   2           HZ1      LYS   2  10.823  -1.482   4.744
   23    HZ2  LYS   2           HZ2      LYS   2  10.781   0.198   4.973
   24    HZ3  LYS   2           HZ3      LYS   2  10.458  -0.844   6.273
   25    HA   PRO   3           HA       PRO   3  10.449   2.974  -0.718
   26    HB2  PRO   3           HB2      PRO   3  10.482   0.188  -1.782
   27    HB3  PRO   3           HB1      PRO   3  10.112   1.712  -2.612
   28    HG2  PRO   3           HG2      PRO   3  12.439   0.578  -2.986
   29    HG3  PRO   3           HG1      PRO   3  12.340   2.327  -2.729
   30    HD2  PRO   3           HD2      PRO   3  13.169   0.179  -0.804
   31    HD3  PRO   3           HD1      PRO   3  13.882   1.787  -1.065
   32    H    TYR   4           HN       TYR   4   8.278   2.174  -0.860
   33    HA   TYR   4           HA       TYR   4   7.615   0.833   1.664
   34    HB2  TYR   4           HB2      TYR   4   6.024   2.873   0.071
   35    HB3  TYR   4           HB1      TYR   4   5.475   2.074   1.548
   36    HD1  TYR   4           HD1      TYR   4   7.964   4.424   0.181
   37    HD2  TYR   4           HD2      TYR   4   6.220   2.783   3.698
   38    HE1  TYR   4           HE1      TYR   4   9.039   6.178   1.527
   39    HE2  TYR   4           HE2      TYR   4   7.295   4.529   5.054
   40    HH   TYR   4           HH       TYR   4   9.215   6.051   4.921
   41    H    VAL   5           HN       VAL   5   6.583  -1.031   1.594
   42    HA   VAL   5           HA       VAL   5   5.755  -1.984  -1.055
   43    HB   VAL   5           HB       VAL   5   6.342  -4.215  -0.330
   44   HG11  VAL   5          HG11      VAL   5   8.585  -2.311   0.302
   45   HG12  VAL   5          HG12      VAL   5   8.081  -2.779  -1.322
   46   HG13  VAL   5          HG13      VAL   5   8.746  -3.989  -0.222
   47   HG21  VAL   5          HG21      VAL   5   5.815  -4.107   2.021
   48   HG22  VAL   5          HG22      VAL   5   7.097  -2.929   2.288
   49   HG23  VAL   5          HG23      VAL   5   7.502  -4.584   1.834
   50    H    CYS   6           HN       CYS   6   3.900  -3.234  -1.240
   51    HA   CYS   6           HA       CYS   6   1.838  -2.754   0.695
   52    HB2  CYS   6           HB2      CYS   6   1.406  -2.898  -1.760
   53    HB3  CYS   6           HB1      CYS   6   1.787  -4.612  -1.694
   54    H    ILE   7           HN       ILE   7   1.674  -3.875   2.506
   55    HA   ILE   7           HA       ILE   7   3.014  -6.321   2.988
   56    HB   ILE   7           HB       ILE   7   0.874  -4.832   4.531
   57   HG12  ILE   7          HG12      ILE   7   2.853  -4.470   6.116
   58   HG13  ILE   7          HG11      ILE   7   3.871  -5.040   4.799
   59   HG21  ILE   7          HG21      ILE   7   0.722  -7.181   5.075
   60   HG22  ILE   7          HG22      ILE   7   1.392  -6.275   6.433
   61   HG23  ILE   7          HG23      ILE   7   2.452  -7.236   5.403
   62   HD11  ILE   7          HD11      ILE   7   3.784  -2.605   4.911
   63   HD12  ILE   7          HD12      ILE   7   2.037  -2.661   4.673
   64   HD13  ILE   7          HD13      ILE   7   3.119  -3.219   3.396
   65    H    HIS   8           HN       HIS   8   0.011  -5.456   1.622
   66    HA   HIS   8           HA       HIS   8  -1.422  -7.801   2.477
   67    HB2  HIS   8           HB2      HIS   8  -2.223  -5.314   1.860
   68    HB3  HIS   8           HB1      HIS   8  -2.508  -6.106   0.307
   69    HD1  HIS   8           HD1      HIS   8  -4.430  -7.830   0.191
   70    HD2  HIS   8           HD2      HIS   8  -3.875  -6.138   3.952
   71    HE1  HIS   8           HE1      HIS   8  -6.491  -8.403   1.512
   72    HE2  HIS   8           HE2      HIS   8  -6.219  -7.193   3.704
   73    H    CYS   9           HN       CYS   9   0.047  -6.675  -0.596
   74    HA   CYS   9           HA       CYS   9  -0.471  -9.380  -1.617
   75    HB2  CYS   9           HB2      CYS   9  -0.994  -8.526  -3.768
   76    HB3  CYS   9           HB1      CYS   9  -1.964  -7.632  -2.613
   77    H    GLN  10           HN       GLN  10   1.825  -7.138  -0.828
   78    HA   GLN  10           HA       GLN  10   4.073  -7.144  -0.887
   79    HB2  GLN  10           HB2      GLN  10   3.760  -9.777  -2.331
   80    HB3  GLN  10           HB1      GLN  10   5.281  -9.135  -1.705
   81    HG2  GLN  10           HG2      GLN  10   2.851  -9.790  -0.049
   82    HG3  GLN  10           HG1      GLN  10   4.272 -10.816  -0.225
   83   HE21  GLN  10          HE21      GLN  10   3.081  -9.566   2.152
   84   HE22  GLN  10          HE22      GLN  10   4.355  -8.621   2.868
   85    H    ARG  11           HN       ARG  11   3.427  -5.328  -2.390
   86    HA   ARG  11           HA       ARG  11   5.040  -5.604  -4.805
   87    HB2  ARG  11           HB2      ARG  11   2.316  -4.365  -4.515
   88    HB3  ARG  11           HB1      ARG  11   3.424  -3.859  -5.783
   89    HG2  ARG  11           HG2      ARG  11   3.485  -6.142  -6.647
   90    HG3  ARG  11           HG1      ARG  11   2.383  -6.653  -5.366
   91    HD2  ARG  11           HD2      ARG  11   0.665  -5.169  -6.222
   92    HD3  ARG  11           HD1      ARG  11   1.769  -4.569  -7.458
   93    HE   ARG  11           HE       ARG  11   1.400  -7.417  -7.572
   94   HH11  ARG  11          HH11      ARG  11   0.135  -4.307  -8.566
   95   HH12  ARG  11          HH12      ARG  11  -0.789  -4.948  -9.894
   96   HH21  ARG  11          HH21      ARG  11   0.221  -8.272  -9.357
   97   HH22  ARG  11          HH22      ARG  11  -0.714  -7.196 -10.354
   98    H    GLN  12           HN       GLN  12   6.473  -3.955  -5.109
   99    HA   GLN  12           HA       GLN  12   6.834  -2.149  -2.881
  100    HB2  GLN  12           HB2      GLN  12   8.473  -2.497  -5.392
  101    HB3  GLN  12           HB1      GLN  12   8.944  -1.589  -3.971
  102    HG2  GLN  12           HG2      GLN  12   8.877  -3.686  -2.660
  103    HG3  GLN  12           HG1      GLN  12   8.528  -4.558  -4.149
  104   HE21  GLN  12          HE21      GLN  12  10.396  -5.779  -3.981
  105   HE22  GLN  12          HE22      GLN  12  11.967  -5.102  -4.329
  106    H    PHE  13           HN       PHE  13   6.408  -0.041  -2.824
  107    HA   PHE  13           HA       PHE  13   5.997   1.393  -5.359
  108    HB2  PHE  13           HB2      PHE  13   4.345   1.703  -2.830
  109    HB3  PHE  13           HB1      PHE  13   4.278   2.802  -4.212
  110    HD1  PHE  13           HD1      PHE  13   3.236   2.129  -6.288
  111    HD2  PHE  13           HD2      PHE  13   3.422  -0.520  -2.962
  112    HE1  PHE  13           HE1      PHE  13   1.532   0.695  -7.335
  113    HE2  PHE  13           HE2      PHE  13   1.719  -1.952  -4.002
  114    HZ   PHE  13           HZ       PHE  13   0.827  -1.360  -6.258
  115    H    ALA  14           HN       ALA  14   5.915   3.904  -4.725
  116    HA   ALA  14           HA       ALA  14   8.603   4.340  -3.646
  117    HB1  ALA  14           HB1      ALA  14   8.611   6.373  -4.866
  118    HB2  ALA  14           HB2      ALA  14   6.865   6.307  -5.112
  119    HB3  ALA  14           HB3      ALA  14   7.923   5.146  -5.932
  120    H    ASP  15           HN       ASP  15   5.280   5.335  -3.164
  121    HA   ASP  15           HA       ASP  15   6.184   7.325  -1.194
  122    HB2  ASP  15           HB2      ASP  15   3.663   7.304  -2.864
  123    HB3  ASP  15           HB1      ASP  15   4.111   8.536  -1.703
  124    HA   PRO  16           HA       PRO  16   3.887   5.142   1.950
  125    HB2  PRO  16           HB2      PRO  16   3.705   7.763   3.269
  126    HB3  PRO  16           HB1      PRO  16   4.483   6.282   3.834
  127    HG2  PRO  16           HG2      PRO  16   5.887   8.446   3.042
  128    HG3  PRO  16           HG1      PRO  16   6.483   6.791   2.826
  129    HD2  PRO  16           HD2      PRO  16   5.278   8.656   0.829
  130    HD3  PRO  16           HD1      PRO  16   6.597   7.474   0.629
  131    H    GLY  17           HN       GLY  17   2.977   8.258   0.610
  132    HA2  GLY  17           HA2      GLY  17   0.280   8.299   1.404
  133    HA3  GLY  17           HA1      GLY  17   0.965   9.152   0.025
  134    H    ALA  18           HN       ALA  18   1.924   6.668  -1.213
  135    HA   ALA  18           HA       ALA  18  -0.543   6.013  -2.547
  136    HB1  ALA  18           HB1      ALA  18   2.244   4.988  -3.030
  137    HB2  ALA  18           HB2      ALA  18   1.447   6.304  -3.898
  138    HB3  ALA  18           HB3      ALA  18   0.832   4.653  -4.032
  139    H    LEU  19           HN       LEU  19   1.604   4.496  -0.219
  140    HA   LEU  19           HA       LEU  19   0.514   1.899  -0.539
  141    HB2  LEU  19           HB2      LEU  19   2.397   3.218   1.291
  142    HB3  LEU  19           HB1      LEU  19   1.446   1.934   2.030
  143    HG   LEU  19           HG       LEU  19   3.537   1.030   1.252
  144   HD11  LEU  19          HD11      LEU  19   1.569  -0.392   1.061
  145   HD12  LEU  19          HD12      LEU  19   2.712  -0.721  -0.241
  146   HD13  LEU  19          HD13      LEU  19   1.264   0.233  -0.560
  147   HD21  LEU  19          HD21      LEU  19   3.954   2.767  -0.464
  148   HD22  LEU  19          HD22      LEU  19   2.766   1.973  -1.501
  149   HD23  LEU  19          HD23      LEU  19   4.243   1.124  -1.033
  150    H    GLN  20           HN       GLN  20  -0.291   4.739   1.308
  151    HA   GLN  20           HA       GLN  20  -2.074   3.307   2.929
  152    HB2  GLN  20           HB2      GLN  20  -2.753   5.397   3.899
  153    HB3  GLN  20           HB1      GLN  20  -1.017   5.411   3.671
  154    HG2  GLN  20           HG2      GLN  20  -1.282   6.745   1.651
  155    HG3  GLN  20           HG1      GLN  20  -3.027   6.761   1.904
  156   HE21  GLN  20          HE21      GLN  20  -3.053   9.013   2.054
  157   HE22  GLN  20          HE22      GLN  20  -2.480   9.835   3.472
  158    H    ARG  21           HN       ARG  21  -2.298   5.171   0.096
  159    HA   ARG  21           HA       ARG  21  -5.126   4.982  -0.226
  160    HB2  ARG  21           HB2      ARG  21  -3.274   6.444  -1.472
  161    HB3  ARG  21           HB1      ARG  21  -3.342   5.107  -2.608
  162    HG2  ARG  21           HG2      ARG  21  -4.848   6.846  -3.321
  163    HG3  ARG  21           HG1      ARG  21  -5.773   5.427  -2.819
  164    HD2  ARG  21           HD2      ARG  21  -5.863   6.591  -0.517
  165    HD3  ARG  21           HD1      ARG  21  -5.421   8.045  -1.410
  166    HE   ARG  21           HE       ARG  21  -7.858   6.457  -1.913
  167   HH11  ARG  21          HH11      ARG  21  -6.124   9.498  -1.906
  168   HH12  ARG  21          HH12      ARG  21  -7.540  10.449  -2.257
  169   HH21  ARG  21          HH21      ARG  21  -9.712   7.691  -2.357
  170   HH22  ARG  21          HH22      ARG  21  -9.589   9.417  -2.503
  171    H    HIS  22           HN       HIS  22  -2.367   3.048  -0.954
  172    HA   HIS  22           HA       HIS  22  -3.540   1.240  -2.802
  173    HB2  HIS  22           HB2      HIS  22  -1.081   1.558  -2.308
  174    HB3  HIS  22           HB1      HIS  22  -1.324   0.594  -0.867
  175    HD1  HIS  22           HD1      HIS  22  -1.557   0.265  -4.655
  176    HD2  HIS  22           HD2      HIS  22  -1.254  -2.041  -1.211
  177    HE1  HIS  22           HE1      HIS  22  -1.197  -2.115  -5.424
  178    H    VAL  23           HN       VAL  23  -3.009   1.071   0.690
  179    HA   VAL  23           HA       VAL  23  -3.967  -1.535   0.890
  180    HB   VAL  23           HB       VAL  23  -3.791   0.585   3.040
  181   HG11  VAL  23          HG11      VAL  23  -5.404  -1.131   3.692
  182   HG12  VAL  23          HG12      VAL  23  -3.931  -1.259   4.652
  183   HG13  VAL  23          HG13      VAL  23  -4.223  -2.390   3.329
  184   HG21  VAL  23          HG21      VAL  23  -1.646  -0.012   2.043
  185   HG22  VAL  23          HG22      VAL  23  -1.974  -1.723   2.340
  186   HG23  VAL  23          HG23      VAL  23  -1.755  -0.616   3.697
  187    H    ARG  24           HN       ARG  24  -5.549   1.614   1.107
  188    HA   ARG  24           HA       ARG  24  -8.118   0.741   1.798
  189    HB2  ARG  24           HB2      ARG  24  -7.066   3.100   0.266
  190    HB3  ARG  24           HB1      ARG  24  -8.791   2.874   0.546
  191    HG2  ARG  24           HG2      ARG  24  -6.865   2.767   2.820
  192    HG3  ARG  24           HG1      ARG  24  -7.425   4.309   2.185
  193    HD2  ARG  24           HD2      ARG  24  -9.739   3.648   2.570
  194    HD3  ARG  24           HD1      ARG  24  -9.204   2.063   3.121
  195    HE   ARG  24           HE       ARG  24  -8.473   4.529   4.565
  196   HH11  ARG  24          HH11      ARG  24  -9.834   1.313   4.469
  197   HH12  ARG  24          HH12      ARG  24 -10.086   1.208   6.184
  198   HH21  ARG  24          HH21      ARG  24  -8.802   4.412   6.843
  199   HH22  ARG  24          HH22      ARG  24  -9.496   2.982   7.534
  200    H    ILE  25           HN       ILE  25  -6.404   0.575  -1.236
  201    HA   ILE  25           HA       ILE  25  -8.609   0.138  -2.938
  202    HB   ILE  25           HB       ILE  25  -5.721  -0.725  -3.149
  203   HG12  ILE  25          HG12      ILE  25  -7.285   1.387  -4.637
  204   HG13  ILE  25          HG11      ILE  25  -6.235   1.696  -3.269
  205   HG21  ILE  25          HG21      ILE  25  -7.052  -2.291  -4.404
  206   HG22  ILE  25          HG22      ILE  25  -6.183  -1.213  -5.499
  207   HG23  ILE  25          HG23      ILE  25  -7.902  -0.960  -5.196
  208   HD11  ILE  25          HD11      ILE  25  -5.152   2.218  -5.386
  209   HD12  ILE  25          HD12      ILE  25  -5.362   0.542  -5.899
  210   HD13  ILE  25          HD13      ILE  25  -4.316   0.924  -4.530
  211    H    HIS  26           HN       HIS  26  -6.494  -2.076  -1.135
  212    HA   HIS  26           HA       HIS  26  -7.947  -4.428  -1.854
  213    HB2  HIS  26           HB2      HIS  26  -6.075  -3.872   0.454
  214    HB3  HIS  26           HB1      HIS  26  -6.792  -5.445   0.143
  215    HD1  HIS  26           HD1      HIS  26  -6.244  -5.951  -2.777
  216    HD2  HIS  26           HD2      HIS  26  -3.543  -4.055  -0.228
  217    HE1  HIS  26           HE1      HIS  26  -3.914  -6.350  -3.746
  218    H    THR  27           HN       THR  27  -7.870  -2.369   1.025
  219    HA   THR  27           HA       THR  27  -9.961  -3.878   2.328
  220    HB   THR  27           HB       THR  27  -8.845  -1.270   3.328
  221    HG1  THR  27           HG1      THR  27  -6.944  -2.220   3.147
  222   HG21  THR  27          HG21      THR  27  -9.185  -2.305   5.505
  223   HG22  THR  27          HG22      THR  27  -9.683  -3.811   4.735
  224   HG23  THR  27          HG23      THR  27 -10.679  -2.365   4.569
  225    H    GLY  28           HN       GLY  28 -11.057  -2.989   0.063
  226    HA2  GLY  28           HA2      GLY  28 -12.411  -0.461   0.439
  227    HA3  GLY  28           HA1      GLY  28 -12.672  -1.604  -0.872
  228    H    GLU  29           HN       GLU  29 -13.114  -1.428   2.654
  229    HA   GLU  29           HA       GLU  29 -15.238  -3.308   2.703
  230    HB2  GLU  29           HB2      GLU  29 -14.550  -1.193   4.744
  231    HB3  GLU  29           HB1      GLU  29 -15.516  -2.634   5.022
  232    HG2  GLU  29           HG2      GLU  29 -13.571  -4.038   4.618
  233    HG3  GLU  29           HG1      GLU  29 -12.597  -2.605   4.281
  234    H    LYS  30           HN       LYS  30 -15.235   0.172   3.342
  235    HA   LYS  30           HA       LYS  30 -17.881   0.377   2.088
  236    HB2  LYS  30           HB2      LYS  30 -17.099   1.520   4.775
  237    HB3  LYS  30           HB1      LYS  30 -18.526   2.021   3.881
  238    HG2  LYS  30           HG2      LYS  30 -17.967  -0.756   4.901
  239    HG3  LYS  30           HG1      LYS  30 -19.086   0.409   5.610
  240    HD2  LYS  30           HD2      LYS  30 -20.417   0.381   3.564
  241    HD3  LYS  30           HD1      LYS  30 -19.287  -0.765   2.838
  242    HE2  LYS  30           HE2      LYS  30 -19.818  -2.376   4.617
  243    HE3  LYS  30           HE1      LYS  30 -20.980  -1.234   5.288
  244    HZ1  LYS  30           HZ1      LYS  30 -21.116  -2.474   2.591
  245    HZ2  LYS  30           HZ2      LYS  30 -22.227  -1.356   3.212
  246    HZ3  LYS  30           HZ3      LYS  30 -22.072  -2.885   3.926
  Start of MODEL    7
    1    H1   MET   1           HT1      MET   1  15.645   4.934   0.681
    2    H2   MET   1           HT2      MET   1  15.398   4.796  -0.993
    3    H3   MET   1           HT3      MET   1  16.720   5.679  -0.399
    4    HA   MET   1           HA       MET   1  17.376   3.516  -1.253
    5    HB2  MET   1           HB2      MET   1  18.719   2.849   0.670
    6    HB3  MET   1           HB1      MET   1  18.682   4.601   0.524
    7    HG2  MET   1           HG2      MET   1  17.041   4.740   2.305
    8    HG3  MET   1           HG1      MET   1  16.999   2.982   2.423
    9    HE1  MET   1           HE1      MET   1  20.701   5.531   3.482
   10    HE2  MET   1           HE2      MET   1  19.165   6.224   2.964
   11    HE3  MET   1           HE3      MET   1  20.135   5.284   1.830
   12    H    LYS   2           HN       LYS   2  14.507   3.490   0.491
   13    HA   LYS   2           HA       LYS   2  14.194   0.651   0.094
   14    HB2  LYS   2           HB2      LYS   2  15.341   1.107   2.408
   15    HB3  LYS   2           HB1      LYS   2  13.733   1.612   2.906
   16    HG2  LYS   2           HG2      LYS   2  14.311  -1.081   1.699
   17    HG3  LYS   2           HG1      LYS   2  14.360  -0.765   3.432
   18    HD2  LYS   2           HD2      LYS   2  11.959  -0.346   1.650
   19    HD3  LYS   2           HD1      LYS   2  12.218  -1.742   2.700
   20    HE2  LYS   2           HE2      LYS   2  12.214  -0.299   4.654
   21    HE3  LYS   2           HE1      LYS   2  12.036   1.124   3.626
   22    HZ1  LYS   2           HZ1      LYS   2  10.069  -1.087   3.903
   23    HZ2  LYS   2           HZ2      LYS   2   9.900   0.256   2.881
   24    HZ3  LYS   2           HZ3      LYS   2   9.921   0.468   4.566
   25    HA   PRO   3           HA       PRO   3  10.397   2.914  -0.941
   26    HB2  PRO   3           HB2      PRO   3   9.798   0.189  -1.972
   27    HB3  PRO   3           HB1      PRO   3   9.626   1.765  -2.766
   28    HG2  PRO   3           HG2      PRO   3  11.616   0.180  -3.443
   29    HG3  PRO   3           HG1      PRO   3  11.890   1.920  -3.220
   30    HD2  PRO   3           HD2      PRO   3  12.520  -0.342  -1.350
   31    HD3  PRO   3           HD1      PRO   3  13.523   1.058  -1.792
   32    H    TYR   4           HN       TYR   4   8.088   2.243  -0.864
   33    HA   TYR   4           HA       TYR   4   7.548   0.909   1.696
   34    HB2  TYR   4           HB2      TYR   4   5.933   2.944   0.117
   35    HB3  TYR   4           HB1      TYR   4   5.343   2.113   1.561
   36    HD1  TYR   4           HD1      TYR   4   7.740   4.588   0.292
   37    HD2  TYR   4           HD2      TYR   4   6.156   2.699   3.759
   38    HE1  TYR   4           HE1      TYR   4   8.781   6.315   1.700
   39    HE2  TYR   4           HE2      TYR   4   7.194   4.418   5.176
   40    HH   TYR   4           HH       TYR   4   8.423   7.306   3.967
   41    H    VAL   5           HN       VAL   5   6.600  -1.024   1.640
   42    HA   VAL   5           HA       VAL   5   5.643  -1.940  -0.974
   43    HB   VAL   5           HB       VAL   5   6.339  -4.154  -0.387
   44   HG11  VAL   5          HG11      VAL   5   8.008  -2.693  -1.376
   45   HG12  VAL   5          HG12      VAL   5   8.756  -3.844  -0.270
   46   HG13  VAL   5          HG13      VAL   5   8.515  -2.171   0.231
   47   HG21  VAL   5          HG21      VAL   5   5.864  -4.124   2.004
   48   HG22  VAL   5          HG22      VAL   5   7.222  -3.028   2.267
   49   HG23  VAL   5          HG23      VAL   5   7.512  -4.672   1.697
   50    H    CYS   6           HN       CYS   6   3.871  -3.316  -1.092
   51    HA   CYS   6           HA       CYS   6   1.845  -2.866   0.892
   52    HB2  CYS   6           HB2      CYS   6   1.326  -3.019  -1.543
   53    HB3  CYS   6           HB1      CYS   6   1.770  -4.722  -1.496
   54    H    ILE   7           HN       ILE   7   1.281  -4.144   2.496
   55    HA   ILE   7           HA       ILE   7   2.908  -6.405   3.134
   56    HB   ILE   7           HB       ILE   7   0.542  -5.150   4.551
   57   HG12  ILE   7          HG12      ILE   7   2.429  -4.476   6.181
   58   HG13  ILE   7          HG11      ILE   7   3.527  -4.847   4.860
   59   HG21  ILE   7          HG21      ILE   7   0.734  -7.469   5.171
   60   HG22  ILE   7          HG22      ILE   7   1.257  -6.447   6.510
   61   HG23  ILE   7          HG23      ILE   7   2.452  -7.269   5.506
   62   HD11  ILE   7          HD11      ILE   7   2.450  -3.164   3.479
   63   HD12  ILE   7          HD12      ILE   7   3.032  -2.469   4.993
   64   HD13  ILE   7          HD13      ILE   7   1.315  -2.811   4.781
   65    H    HIS   8           HN       HIS   8  -0.122  -5.835   1.597
   66    HA   HIS   8           HA       HIS   8  -1.176  -8.430   2.385
   67    HB2  HIS   8           HB2      HIS   8  -2.446  -6.091   2.114
   68    HB3  HIS   8           HB1      HIS   8  -2.696  -6.733   0.487
   69    HD1  HIS   8           HD1      HIS   8  -4.430  -8.577   0.211
   70    HD2  HIS   8           HD2      HIS   8  -3.631  -7.658   4.193
   71    HE1  HIS   8           HE1      HIS   8  -6.164  -9.802   1.558
   72    HE2  HIS   8           HE2      HIS   8  -5.759  -9.104   3.944
   73    H    CYS   9           HN       CYS   9  -0.007  -6.835  -0.590
   74    HA   CYS   9           HA       CYS   9  -0.357  -9.448  -1.880
   75    HB2  CYS   9           HB2      CYS   9  -0.976  -8.406  -3.908
   76    HB3  CYS   9           HB1      CYS   9  -1.955  -7.680  -2.645
   77    H    GLN  10           HN       GLN  10   1.877  -7.286  -0.833
   78    HA   GLN  10           HA       GLN  10   4.138  -7.256  -0.947
   79    HB2  GLN  10           HB2      GLN  10   3.816  -9.651  -2.765
   80    HB3  GLN  10           HB1      GLN  10   5.324  -9.117  -2.018
   81    HG2  GLN  10           HG2      GLN  10   4.501  -9.641   0.167
   82    HG3  GLN  10           HG1      GLN  10   2.887  -9.969  -0.466
   83   HE21  GLN  10          HE21      GLN  10   4.653 -11.699   1.067
   84   HE22  GLN  10          HE22      GLN  10   4.909 -13.116   0.077
   85    H    ARG  11           HN       ARG  11   3.253  -5.292  -2.358
   86    HA   ARG  11           HA       ARG  11   4.780  -5.388  -4.863
   87    HB2  ARG  11           HB2      ARG  11   2.332  -3.742  -4.225
   88    HB3  ARG  11           HB1      ARG  11   3.299  -3.584  -5.684
   89    HG2  ARG  11           HG2      ARG  11   1.778  -6.043  -4.853
   90    HG3  ARG  11           HG1      ARG  11   1.270  -4.877  -6.077
   91    HD2  ARG  11           HD2      ARG  11   3.329  -5.395  -7.354
   92    HD3  ARG  11           HD1      ARG  11   3.719  -6.634  -6.162
   93    HE   ARG  11           HE       ARG  11   1.155  -7.188  -7.058
   94   HH11  ARG  11          HH11      ARG  11   4.356  -6.971  -8.451
   95   HH12  ARG  11          HH12      ARG  11   4.047  -8.151  -9.688
   96   HH21  ARG  11          HH21      ARG  11   0.724  -8.726  -8.678
   97   HH22  ARG  11          HH22      ARG  11   1.953  -9.131  -9.844
   98    H    GLN  12           HN       GLN  12   5.942  -3.421  -5.375
   99    HA   GLN  12           HA       GLN  12   6.723  -2.020  -2.913
  100    HB2  GLN  12           HB2      GLN  12   8.329  -2.525  -5.419
  101    HB3  GLN  12           HB1      GLN  12   8.907  -1.757  -3.956
  102    HG2  GLN  12           HG2      GLN  12   8.513  -3.842  -2.719
  103    HG3  GLN  12           HG1      GLN  12   7.993  -4.605  -4.220
  104   HE21  GLN  12          HE21      GLN  12   9.595  -6.147  -4.148
  105   HE22  GLN  12          HE22      GLN  12  11.275  -5.768  -4.442
  106    H    PHE  13           HN       PHE  13   6.296   0.081  -2.789
  107    HA   PHE  13           HA       PHE  13   6.083   1.635  -5.284
  108    HB2  PHE  13           HB2      PHE  13   4.274   1.871  -2.862
  109    HB3  PHE  13           HB1      PHE  13   4.260   2.956  -4.257
  110    HD1  PHE  13           HD1      PHE  13   3.441   2.203  -6.415
  111    HD2  PHE  13           HD2      PHE  13   3.347  -0.335  -3.006
  112    HE1  PHE  13           HE1      PHE  13   1.839   0.731  -7.557
  113    HE2  PHE  13           HE2      PHE  13   1.744  -1.813  -4.142
  114    HZ   PHE  13           HZ       PHE  13   1.091  -1.348  -6.476
  115    H    ALA  14           HN       ALA  14   6.458   3.902  -5.058
  116    HA   ALA  14           HA       ALA  14   8.820   4.392  -3.526
  117    HB1  ALA  14           HB1      ALA  14   8.952   6.436  -4.683
  118    HB2  ALA  14           HB2      ALA  14   7.215   6.453  -5.003
  119    HB3  ALA  14           HB3      ALA  14   8.259   5.289  -5.833
  120    H    ASP  15           HN       ASP  15   5.465   5.381  -3.240
  121    HA   ASP  15           HA       ASP  15   6.246   7.348  -1.205
  122    HB2  ASP  15           HB2      ASP  15   3.825   7.301  -3.018
  123    HB3  ASP  15           HB1      ASP  15   4.127   8.495  -1.774
  124    HA   PRO  16           HA       PRO  16   3.907   5.034   1.797
  125    HB2  PRO  16           HB2      PRO  16   3.592   7.098   3.568
  126    HB3  PRO  16           HB1      PRO  16   5.064   6.128   3.448
  127    HG2  PRO  16           HG2      PRO  16   4.475   8.829   2.312
  128    HG3  PRO  16           HG1      PRO  16   5.962   8.228   3.071
  129    HD2  PRO  16           HD2      PRO  16   5.692   8.443   0.392
  130    HD3  PRO  16           HD1      PRO  16   6.663   7.160   1.153
  131    H    GLY  17           HN       GLY  17   3.037   8.194   0.540
  132    HA2  GLY  17           HA2      GLY  17   0.340   8.301   1.257
  133    HA3  GLY  17           HA1      GLY  17   1.044   9.049  -0.174
  134    H    ALA  18           HN       ALA  18   1.947   6.650  -1.403
  135    HA   ALA  18           HA       ALA  18  -0.497   5.896  -2.682
  136    HB1  ALA  18           HB1      ALA  18   1.517   6.121  -4.003
  137    HB2  ALA  18           HB2      ALA  18   0.889   4.471  -4.086
  138    HB3  ALA  18           HB3      ALA  18   2.287   4.831  -3.073
  139    H    LEU  19           HN       LEU  19   1.507   4.532  -0.168
  140    HA   LEU  19           HA       LEU  19   0.399   1.906  -0.396
  141    HB2  LEU  19           HB2      LEU  19   2.288   3.285   1.385
  142    HB3  LEU  19           HB1      LEU  19   1.289   2.077   2.186
  143    HG   LEU  19           HG       LEU  19   3.429   1.136   1.461
  144   HD11  LEU  19          HD11      LEU  19   1.067   0.106  -0.105
  145   HD12  LEU  19          HD12      LEU  19   1.480  -0.316   1.557
  146   HD13  LEU  19          HD13      LEU  19   2.548  -0.793   0.236
  147   HD21  LEU  19          HD21      LEU  19   2.503   1.778  -1.337
  148   HD22  LEU  19          HD22      LEU  19   3.973   0.909  -0.885
  149   HD23  LEU  19          HD23      LEU  19   3.792   2.614  -0.471
  150    H    GLN  20           HN       GLN  20  -0.327   4.871   1.220
  151    HA   GLN  20           HA       GLN  20  -2.289   3.786   2.887
  152    HB2  GLN  20           HB2      GLN  20  -1.962   6.608   1.900
  153    HB3  GLN  20           HB1      GLN  20  -3.081   6.131   3.169
  154    HG2  GLN  20           HG2      GLN  20  -1.310   5.559   4.634
  155    HG3  GLN  20           HG1      GLN  20  -0.116   5.689   3.343
  156   HE21  GLN  20          HE21      GLN  20  -2.153   7.433   5.556
  157   HE22  GLN  20          HE22      GLN  20  -1.397   8.979   5.345
  158    H    ARG  21           HN       ARG  21  -2.325   5.299  -0.190
  159    HA   ARG  21           HA       ARG  21  -5.081   5.051  -0.754
  160    HB2  ARG  21           HB2      ARG  21  -2.788   6.015  -2.070
  161    HB3  ARG  21           HB1      ARG  21  -3.402   4.727  -3.095
  162    HG2  ARG  21           HG2      ARG  21  -4.325   6.810  -3.815
  163    HG3  ARG  21           HG1      ARG  21  -5.613   5.843  -3.090
  164    HD2  ARG  21           HD2      ARG  21  -5.524   7.117  -1.072
  165    HD3  ARG  21           HD1      ARG  21  -4.065   7.953  -1.602
  166    HE   ARG  21           HE       ARG  21  -6.322   8.327  -3.357
  167   HH11  ARG  21          HH11      ARG  21  -4.667   9.484  -0.487
  168   HH12  ARG  21          HH12      ARG  21  -5.331  11.088  -0.603
  169   HH21  ARG  21          HH21      ARG  21  -7.169  10.442  -3.515
  170   HH22  ARG  21          HH22      ARG  21  -6.716  11.643  -2.345
  171    H    HIS  22           HN       HIS  22  -2.318   2.968  -0.927
  172    HA   HIS  22           HA       HIS  22  -3.355   1.015  -2.708
  173    HB2  HIS  22           HB2      HIS  22  -0.930   1.437  -2.001
  174    HB3  HIS  22           HB1      HIS  22  -1.302   0.481  -0.577
  175    HD1  HIS  22           HD1      HIS  22  -1.070   0.139  -4.352
  176    HD2  HIS  22           HD2      HIS  22  -1.279  -2.183  -0.912
  177    HE1  HIS  22           HE1      HIS  22  -0.645  -2.247  -5.076
  178    H    VAL  23           HN       VAL  23  -2.965   1.038   0.817
  179    HA   VAL  23           HA       VAL  23  -3.977  -1.543   1.106
  180    HB   VAL  23           HB       VAL  23  -3.815   0.653   3.179
  181   HG11  VAL  23          HG11      VAL  23  -5.404  -1.049   3.881
  182   HG12  VAL  23          HG12      VAL  23  -3.927  -1.157   4.840
  183   HG13  VAL  23          HG13      VAL  23  -4.224  -2.315   3.542
  184   HG21  VAL  23          HG21      VAL  23  -1.767  -0.486   3.890
  185   HG22  VAL  23          HG22      VAL  23  -1.654   0.058   2.216
  186   HG23  VAL  23          HG23      VAL  23  -1.953  -1.644   2.573
  187    H    ARG  24           HN       ARG  24  -5.502   1.631   1.151
  188    HA   ARG  24           HA       ARG  24  -8.062   0.713   1.937
  189    HB2  ARG  24           HB2      ARG  24  -7.224   3.208   0.468
  190    HB3  ARG  24           HB1      ARG  24  -8.876   2.887   0.985
  191    HG2  ARG  24           HG2      ARG  24  -7.781   2.531   3.318
  192    HG3  ARG  24           HG1      ARG  24  -6.459   3.470   2.628
  193    HD2  ARG  24           HD2      ARG  24  -7.912   5.319   2.186
  194    HD3  ARG  24           HD1      ARG  24  -9.333   4.378   2.638
  195    HE   ARG  24           HE       ARG  24  -7.221   4.946   4.609
  196   HH11  ARG  24          HH11      ARG  24 -10.551   5.224   3.552
  197   HH12  ARG  24          HH12      ARG  24 -11.128   5.811   5.078
  198   HH21  ARG  24          HH21      ARG  24  -7.977   5.705   6.631
  199   HH22  ARG  24          HH22      ARG  24  -9.664   6.073   6.838
  200    H    ILE  25           HN       ILE  25  -6.365   0.592  -1.074
  201    HA   ILE  25           HA       ILE  25  -8.571   0.220  -2.801
  202    HB   ILE  25           HB       ILE  25  -5.723  -0.773  -2.951
  203   HG12  ILE  25          HG12      ILE  25  -6.038   1.641  -3.197
  204   HG13  ILE  25          HG11      ILE  25  -5.460   0.917  -4.683
  205   HG21  ILE  25          HG21      ILE  25  -6.150  -1.368  -5.264
  206   HG22  ILE  25          HG22      ILE  25  -7.855  -0.989  -5.045
  207   HG23  ILE  25          HG23      ILE  25  -7.128  -2.324  -4.153
  208   HD11  ILE  25          HD11      ILE  25  -7.733   0.992  -5.584
  209   HD12  ILE  25          HD12      ILE  25  -7.143   2.592  -5.133
  210   HD13  ILE  25          HD13      ILE  25  -8.290   1.750  -4.091
  211    H    HIS  26           HN       HIS  26  -6.520  -2.051  -0.992
  212    HA   HIS  26           HA       HIS  26  -7.825  -4.408  -1.810
  213    HB2  HIS  26           HB2      HIS  26  -6.128  -3.742   0.580
  214    HB3  HIS  26           HB1      HIS  26  -6.871  -5.325   0.409
  215    HD1  HIS  26           HD1      HIS  26  -6.277  -5.786  -2.648
  216    HD2  HIS  26           HD2      HIS  26  -3.566  -4.344   0.162
  217    HE1  HIS  26           HE1      HIS  26  -3.955  -6.366  -3.515
  218    H    THR  27           HN       THR  27  -8.210  -2.436   1.129
  219    HA   THR  27           HA       THR  27 -10.219  -4.226   2.127
  220    HB   THR  27           HB       THR  27  -8.596  -3.079   3.620
  221    HG1  THR  27           HG1      THR  27 -10.544  -2.254   5.039
  222   HG21  THR  27          HG21      THR  27 -10.291  -0.642   3.064
  223   HG22  THR  27          HG22      THR  27  -8.618  -0.871   2.554
  224   HG23  THR  27          HG23      THR  27  -9.010  -0.760   4.271
  225    H    GLY  28           HN       GLY  28 -10.248  -1.460   0.130
  226    HA2  GLY  28           HA2      GLY  28 -12.022  -0.517  -0.998
  227    HA3  GLY  28           HA1      GLY  28 -13.060  -1.725  -0.257
  228    H    GLU  29           HN       GLU  29 -11.285  -0.027   2.041
  229    HA   GLU  29           HA       GLU  29 -13.665   1.383   2.913
  230    HB2  GLU  29           HB2      GLU  29 -10.922   1.132   4.142
  231    HB3  GLU  29           HB1      GLU  29 -12.260   2.000   4.884
  232    HG2  GLU  29           HG2      GLU  29 -13.552  -0.051   4.981
  233    HG3  GLU  29           HG1      GLU  29 -12.232  -0.925   4.198
  234    H    LYS  30           HN       LYS  30 -11.701   2.155   0.595
  235    HA   LYS  30           HA       LYS  30 -10.888   4.804   1.333
  236    HB2  LYS  30           HB2      LYS  30 -10.448   5.059  -1.142
  237    HB3  LYS  30           HB1      LYS  30  -9.577   3.754  -0.352
  238    HG2  LYS  30           HG2      LYS  30 -11.066   2.123  -1.259
  239    HG3  LYS  30           HG1      LYS  30 -12.120   3.382  -1.909
  240    HD2  LYS  30           HD2      LYS  30 -10.281   4.132  -3.363
  241    HD3  LYS  30           HD1      LYS  30  -9.273   2.823  -2.741
  242    HE2  LYS  30           HE2      LYS  30 -10.280   2.242  -4.897
  243    HE3  LYS  30           HE1      LYS  30 -10.844   1.181  -3.606
  244    HZ1  LYS  30           HZ1      LYS  30 -12.330   3.506  -4.714
  245    HZ2  LYS  30           HZ2      LYS  30 -12.879   2.489  -3.474
  246    HZ3  LYS  30           HZ3      LYS  30 -12.656   1.872  -5.037
  Start of MODEL    8
    1    H1   MET   1           HT1      MET   1  18.056   2.398  -2.822
    2    H2   MET   1           HT2      MET   1  17.623   3.724  -1.861
    3    H3   MET   1           HT3      MET   1  17.939   3.945  -3.516
    4    HA   MET   1           HA       MET   1  15.589   3.997  -3.156
    5    HB2  MET   1           HB2      MET   1  16.544   1.421  -4.425
    6    HB3  MET   1           HB1      MET   1  14.912   2.051  -4.585
    7    HG2  MET   1           HG2      MET   1  17.410   3.453  -5.504
    8    HG3  MET   1           HG1      MET   1  16.330   2.516  -6.535
    9    HE1  MET   1           HE1      MET   1  15.640   6.187  -7.671
   10    HE2  MET   1           HE2      MET   1  16.015   4.547  -8.203
   11    HE3  MET   1           HE3      MET   1  17.174   5.442  -7.219
   12    H    LYS   2           HN       LYS   2  14.814   3.832  -1.053
   13    HA   LYS   2           HA       LYS   2  14.158   1.069  -0.252
   14    HB2  LYS   2           HB2      LYS   2  13.842   1.938   2.051
   15    HB3  LYS   2           HB1      LYS   2  15.491   2.108   1.474
   16    HG2  LYS   2           HG2      LYS   2  15.341   4.414   1.334
   17    HG3  LYS   2           HG1      LYS   2  13.576   4.396   1.246
   18    HD2  LYS   2           HD2      LYS   2  13.512   3.602   3.594
   19    HD3  LYS   2           HD1      LYS   2  15.269   3.753   3.662
   20    HE2  LYS   2           HE2      LYS   2  15.149   6.117   3.351
   21    HE3  LYS   2           HE1      LYS   2  13.422   6.040   3.002
   22    HZ1  LYS   2           HZ1      LYS   2  14.629   5.285   5.611
   23    HZ2  LYS   2           HZ2      LYS   2  12.977   5.414   5.251
   24    HZ3  LYS   2           HZ3      LYS   2  13.951   6.803   5.280
   25    HA   PRO   3           HA       PRO   3  10.182   2.958  -1.624
   26    HB2  PRO   3           HB2      PRO   3   9.681   0.147  -2.381
   27    HB3  PRO   3           HB1      PRO   3   9.505   1.623  -3.346
   28    HG2  PRO   3           HG2      PRO   3  11.487  -0.057  -3.837
   29    HG3  PRO   3           HG1      PRO   3  11.742   1.698  -3.865
   30    HD2  PRO   3           HD2      PRO   3  12.378  -0.246  -1.656
   31    HD3  PRO   3           HD1      PRO   3  13.422   1.006  -2.373
   32    H    TYR   4           HN       TYR   4   7.986   2.079  -1.282
   33    HA   TYR   4           HA       TYR   4   7.810   0.755   1.340
   34    HB2  TYR   4           HB2      TYR   4   6.019   2.879   0.102
   35    HB3  TYR   4           HB1      TYR   4   5.637   1.988   1.579
   36    HD1  TYR   4           HD1      TYR   4   8.064   4.340   0.075
   37    HD2  TYR   4           HD2      TYR   4   6.588   2.608   3.671
   38    HE1  TYR   4           HE1      TYR   4   9.330   5.992   1.384
   39    HE2  TYR   4           HE2      TYR   4   7.850   4.258   4.989
   40    HH   TYR   4           HH       TYR   4   9.819   5.708   4.742
   41    H    VAL   5           HN       VAL   5   6.951  -1.212   1.245
   42    HA   VAL   5           HA       VAL   5   5.652  -1.970  -1.257
   43    HB   VAL   5           HB       VAL   5   6.218  -4.246  -0.737
   44   HG11  VAL   5          HG11      VAL   5   8.596  -2.467  -0.241
   45   HG12  VAL   5          HG12      VAL   5   7.912  -2.834  -1.823
   46   HG13  VAL   5          HG13      VAL   5   8.634  -4.120  -0.853
   47   HG21  VAL   5          HG21      VAL   5   7.348  -3.188   1.850
   48   HG22  VAL   5          HG22      VAL   5   7.529  -4.840   1.259
   49   HG23  VAL   5          HG23      VAL   5   5.929  -4.220   1.675
   50    H    CYS   6           HN       CYS   6   3.783  -3.184  -1.295
   51    HA   CYS   6           HA       CYS   6   1.885  -2.651   0.745
   52    HB2  CYS   6           HB2      CYS   6   1.280  -2.945  -1.641
   53    HB3  CYS   6           HB1      CYS   6   1.708  -4.645  -1.515
   54    H    ILE   7           HN       ILE   7   1.612  -3.686   2.558
   55    HA   ILE   7           HA       ILE   7   3.040  -5.991   3.297
   56    HB   ILE   7           HB       ILE   7   0.850  -4.351   4.526
   57   HG12  ILE   7          HG12      ILE   7   2.579  -4.035   6.287
   58   HG13  ILE   7          HG11      ILE   7   3.676  -5.046   5.353
   59   HG21  ILE   7          HG21      ILE   7   1.918  -6.896   5.722
   60   HG22  ILE   7          HG22      ILE   7   0.278  -6.630   5.131
   61   HG23  ILE   7          HG23      ILE   7   0.869  -5.729   6.527
   62   HD11  ILE   7          HD11      ILE   7   3.524  -3.422   3.501
   63   HD12  ILE   7          HD12      ILE   7   4.208  -2.744   4.982
   64   HD13  ILE   7          HD13      ILE   7   2.537  -2.389   4.537
   65    H    HIS   8           HN       HIS   8  -0.020  -5.541   1.735
   66    HA   HIS   8           HA       HIS   8  -1.024  -8.100   2.660
   67    HB2  HIS   8           HB2      HIS   8  -2.430  -5.967   2.435
   68    HB3  HIS   8           HB1      HIS   8  -2.437  -6.312   0.701
   69    HD1  HIS   8           HD1      HIS   8  -3.234  -8.217   3.908
   70    HD2  HIS   8           HD2      HIS   8  -4.561  -7.834  -0.015
   71    HE1  HIS   8           HE1      HIS   8  -5.272  -9.685   3.732
   72    HE2  HIS   8           HE2      HIS   8  -6.143  -9.319   1.397
   73    H    CYS   9           HN       CYS   9   0.249  -6.725  -0.365
   74    HA   CYS   9           HA       CYS   9  -0.049  -9.412  -1.484
   75    HB2  CYS   9           HB2      CYS   9  -0.764  -8.556  -3.568
   76    HB3  CYS   9           HB1      CYS   9  -1.777  -7.833  -2.335
   77    H    GLN  10           HN       GLN  10   2.106  -7.132  -0.604
   78    HA   GLN  10           HA       GLN  10   4.353  -7.024  -0.760
   79    HB2  GLN  10           HB2      GLN  10   4.046  -9.586  -2.328
   80    HB3  GLN  10           HB1      GLN  10   5.590  -8.914  -1.804
   81    HG2  GLN  10           HG2      GLN  10   4.796  -9.066   0.540
   82    HG3  GLN  10           HG1      GLN  10   3.344  -9.876  -0.047
   83   HE21  GLN  10          HE21      GLN  10   4.870 -11.263  -2.163
   84   HE22  GLN  10          HE22      GLN  10   5.720 -12.541  -1.349
   85    H    ARG  11           HN       ARG  11   3.009  -5.409  -2.493
   86    HA   ARG  11           HA       ARG  11   4.733  -5.425  -4.862
   87    HB2  ARG  11           HB2      ARG  11   1.972  -4.281  -4.429
   88    HB3  ARG  11           HB1      ARG  11   2.971  -3.894  -5.826
   89    HG2  ARG  11           HG2      ARG  11   3.001  -6.232  -6.479
   90    HG3  ARG  11           HG1      ARG  11   2.059  -6.652  -5.049
   91    HD2  ARG  11           HD2      ARG  11   0.234  -5.204  -5.885
   92    HD3  ARG  11           HD1      ARG  11   1.172  -4.920  -7.352
   93    HE   ARG  11           HE       ARG  11   0.953  -7.681  -7.002
   94   HH11  ARG  11          HH11      ARG  11  -1.165  -4.959  -7.634
   95   HH12  ARG  11          HH12      ARG  11  -2.317  -5.905  -8.536
   96   HH21  ARG  11          HH21      ARG  11  -0.528  -8.917  -8.217
   97   HH22  ARG  11          HH22      ARG  11  -1.942  -8.154  -8.891
   98    H    GLN  12           HN       GLN  12   6.151  -3.787  -5.073
   99    HA   GLN  12           HA       GLN  12   6.335  -1.977  -2.820
  100    HB2  GLN  12           HB2      GLN  12   8.587  -1.529  -3.643
  101    HB3  GLN  12           HB1      GLN  12   8.304  -3.251  -3.482
  102    HG2  GLN  12           HG2      GLN  12   7.885  -3.362  -5.907
  103    HG3  GLN  12           HG1      GLN  12   8.299  -1.655  -6.014
  104   HE21  GLN  12          HE21      GLN  12   9.502  -4.862  -5.413
  105   HE22  GLN  12          HE22      GLN  12  11.190  -4.476  -5.621
  106    H    PHE  13           HN       PHE  13   6.068   0.147  -2.850
  107    HA   PHE  13           HA       PHE  13   5.723   1.491  -5.449
  108    HB2  PHE  13           HB2      PHE  13   4.081   1.918  -2.937
  109    HB3  PHE  13           HB1      PHE  13   3.999   2.941  -4.377
  110    HD1  PHE  13           HD1      PHE  13   2.965   2.153  -6.405
  111    HD2  PHE  13           HD2      PHE  13   3.174  -0.310  -2.947
  112    HE1  PHE  13           HE1      PHE  13   1.266   0.659  -7.369
  113    HE2  PHE  13           HE2      PHE  13   1.478  -1.808  -3.903
  114    HZ   PHE  13           HZ       PHE  13   0.604  -1.378  -6.176
  115    H    ALA  14           HN       ALA  14   5.952   3.924  -5.216
  116    HA   ALA  14           HA       ALA  14   8.534   4.395  -4.115
  117    HB1  ALA  14           HB1      ALA  14   8.352   6.593  -5.029
  118    HB2  ALA  14           HB2      ALA  14   6.601   6.447  -5.163
  119    HB3  ALA  14           HB3      ALA  14   7.652   5.459  -6.186
  120    H    ASP  15           HN       ASP  15   5.275   5.381  -3.141
  121    HA   ASP  15           HA       ASP  15   6.490   6.950  -0.966
  122    HB2  ASP  15           HB2      ASP  15   3.937   7.529  -2.489
  123    HB3  ASP  15           HB1      ASP  15   4.555   8.462  -1.140
  124    HA   PRO  16           HA       PRO  16   4.084   4.560   1.900
  125    HB2  PRO  16           HB2      PRO  16   3.985   6.371   3.938
  126    HB3  PRO  16           HB1      PRO  16   5.417   5.402   3.575
  127    HG2  PRO  16           HG2      PRO  16   4.811   8.238   2.846
  128    HG3  PRO  16           HG1      PRO  16   6.333   7.526   3.414
  129    HD2  PRO  16           HD2      PRO  16   5.867   8.087   0.806
  130    HD3  PRO  16           HD1      PRO  16   6.885   6.725   1.323
  131    H    GLY  17           HN       GLY  17   3.266   7.819   0.958
  132    HA2  GLY  17           HA2      GLY  17   0.598   7.874   1.899
  133    HA3  GLY  17           HA1      GLY  17   1.255   8.860   0.597
  134    H    ALA  18           HN       ALA  18   2.083   6.664  -1.055
  135    HA   ALA  18           HA       ALA  18  -0.386   6.117  -2.368
  136    HB1  ALA  18           HB1      ALA  18   1.650   6.338  -3.664
  137    HB2  ALA  18           HB2      ALA  18   0.925   4.744  -3.895
  138    HB3  ALA  18           HB3      ALA  18   2.336   4.928  -2.854
  139    H    LEU  19           HN       LEU  19   1.549   4.465   0.002
  140    HA   LEU  19           HA       LEU  19   0.391   1.906  -0.381
  141    HB2  LEU  19           HB2      LEU  19   2.158   3.192   1.601
  142    HB3  LEU  19           HB1      LEU  19   1.135   1.910   2.240
  143    HG   LEU  19           HG       LEU  19   3.317   1.043   1.606
  144   HD11  LEU  19          HD11      LEU  19   1.176   0.119  -0.300
  145   HD12  LEU  19          HD12      LEU  19   1.325  -0.383   1.382
  146   HD13  LEU  19          HD13      LEU  19   2.588  -0.798   0.225
  147   HD21  LEU  19          HD21      LEU  19   2.636   1.885  -1.204
  148   HD22  LEU  19          HD22      LEU  19   4.100   1.053  -0.664
  149   HD23  LEU  19          HD23      LEU  19   3.788   2.714  -0.155
  150    H    GLN  20           HN       GLN  20  -0.401   4.806   1.336
  151    HA   GLN  20           HA       GLN  20  -2.411   3.626   2.867
  152    HB2  GLN  20           HB2      GLN  20  -2.081   6.507   2.076
  153    HB3  GLN  20           HB1      GLN  20  -3.239   5.937   3.267
  154    HG2  GLN  20           HG2      GLN  20  -0.245   5.716   3.486
  155    HG3  GLN  20           HG1      GLN  20  -1.260   6.896   4.313
  156   HE21  GLN  20          HE21      GLN  20   0.526   4.952   5.460
  157   HE22  GLN  20          HE22      GLN  20  -0.437   3.933   6.477
  158    H    ARG  21           HN       ARG  21  -2.357   5.300  -0.119
  159    HA   ARG  21           HA       ARG  21  -5.123   5.139  -0.722
  160    HB2  ARG  21           HB2      ARG  21  -3.021   6.384  -1.859
  161    HB3  ARG  21           HB1      ARG  21  -3.118   4.988  -2.914
  162    HG2  ARG  21           HG2      ARG  21  -5.428   6.833  -2.361
  163    HG3  ARG  21           HG1      ARG  21  -4.336   6.988  -3.737
  164    HD2  ARG  21           HD2      ARG  21  -4.987   4.785  -4.527
  165    HD3  ARG  21           HD1      ARG  21  -6.037   4.571  -3.126
  166    HE   ARG  21           HE       ARG  21  -6.795   6.926  -4.444
  167   HH11  ARG  21          HH11      ARG  21  -6.785   3.479  -5.045
  168   HH12  ARG  21          HH12      ARG  21  -8.204   3.519  -6.049
  169   HH21  ARG  21          HH21      ARG  21  -8.645   6.985  -5.752
  170   HH22  ARG  21          HH22      ARG  21  -9.248   5.526  -6.481
  171    H    HIS  22           HN       HIS  22  -2.380   3.052  -1.006
  172    HA   HIS  22           HA       HIS  22  -3.484   1.159  -2.831
  173    HB2  HIS  22           HB2      HIS  22  -1.050   1.458  -2.240
  174    HB3  HIS  22           HB1      HIS  22  -1.377   0.601  -0.751
  175    HD1  HIS  22           HD1      HIS  22  -1.495   0.025  -4.510
  176    HD2  HIS  22           HD2      HIS  22  -1.329  -2.061  -0.919
  177    HE1  HIS  22           HE1      HIS  22  -1.216  -2.413  -5.115
  178    H    VAL  23           HN       VAL  23  -3.229   1.259   0.692
  179    HA   VAL  23           HA       VAL  23  -4.170  -1.352   1.004
  180    HB   VAL  23           HB       VAL  23  -4.153   0.910   3.012
  181   HG11  VAL  23          HG11      VAL  23  -4.639  -2.038   3.451
  182   HG12  VAL  23          HG12      VAL  23  -5.815  -0.741   3.666
  183   HG13  VAL  23          HG13      VAL  23  -4.407  -0.841   4.724
  184   HG21  VAL  23          HG21      VAL  23  -2.306  -1.455   2.645
  185   HG22  VAL  23          HG22      VAL  23  -2.176  -0.220   3.899
  186   HG23  VAL  23          HG23      VAL  23  -1.942   0.215   2.204
  187    H    ARG  24           HN       ARG  24  -5.770   1.776   0.818
  188    HA   ARG  24           HA       ARG  24  -8.379   0.890   1.410
  189    HB2  ARG  24           HB2      ARG  24  -7.528   3.138  -0.414
  190    HB3  ARG  24           HB1      ARG  24  -9.097   2.952   0.363
  191    HG2  ARG  24           HG2      ARG  24  -6.473   3.341   1.777
  192    HG3  ARG  24           HG1      ARG  24  -7.689   4.575   1.513
  193    HD2  ARG  24           HD2      ARG  24  -7.895   2.106   3.213
  194    HD3  ARG  24           HD1      ARG  24  -7.965   3.785   3.740
  195    HE   ARG  24           HE       ARG  24 -10.056   3.059   1.893
  196   HH11  ARG  24          HH11      ARG  24  -9.098   3.154   5.261
  197   HH12  ARG  24          HH12      ARG  24 -10.728   3.085   5.852
  198   HH21  ARG  24          HH21      ARG  24 -12.185   2.976   2.661
  199   HH22  ARG  24          HH22      ARG  24 -12.491   3.014   4.380
  200    H    ILE  25           HN       ILE  25  -6.389   0.458  -1.385
  201    HA   ILE  25           HA       ILE  25  -8.432  -0.082  -3.274
  202    HB   ILE  25           HB       ILE  25  -5.544  -0.939  -3.112
  203   HG12  ILE  25          HG12      ILE  25  -6.963   1.019  -4.926
  204   HG13  ILE  25          HG11      ILE  25  -6.006   1.441  -3.519
  205   HG21  ILE  25          HG21      ILE  25  -5.768  -1.650  -5.446
  206   HG22  ILE  25          HG22      ILE  25  -7.511  -1.423  -5.326
  207   HG23  ILE  25          HG23      ILE  25  -6.708  -2.641  -4.333
  208   HD11  ILE  25          HD11      ILE  25  -4.761   1.766  -5.577
  209   HD12  ILE  25          HD12      ILE  25  -4.971   0.061  -5.976
  210   HD13  ILE  25          HD13      ILE  25  -4.016   0.529  -4.567
  211    H    HIS  26           HN       HIS  26  -6.456  -2.180  -1.168
  212    HA   HIS  26           HA       HIS  26  -7.854  -4.571  -1.768
  213    HB2  HIS  26           HB2      HIS  26  -6.227  -3.752   0.637
  214    HB3  HIS  26           HB1      HIS  26  -6.979  -5.333   0.508
  215    HD1  HIS  26           HD1      HIS  26  -6.241  -6.246  -2.292
  216    HD2  HIS  26           HD2      HIS  26  -3.644  -4.124   0.179
  217    HE1  HIS  26           HE1      HIS  26  -3.880  -6.759  -3.106
  218    H    THR  27           HN       THR  27  -8.223  -2.100   0.708
  219    HA   THR  27           HA       THR  27 -10.573  -3.352   1.831
  220    HB   THR  27           HB       THR  27  -9.715  -0.523   2.413
  221    HG1  THR  27           HG1      THR  27  -7.819  -1.815   2.575
  222   HG21  THR  27          HG21      THR  27 -10.886  -2.725   4.118
  223   HG22  THR  27          HG22      THR  27 -11.789  -1.379   3.422
  224   HG23  THR  27          HG23      THR  27 -10.555  -1.077   4.647
  225    H    GLY  28           HN       GLY  28 -11.079  -3.107  -0.761
  226    HA2  GLY  28           HA2      GLY  28 -12.227  -0.545  -1.449
  227    HA3  GLY  28           HA1      GLY  28 -12.195  -1.984  -2.456
  228    H    GLU  29           HN       GLU  29 -13.417  -1.921   0.813
  229    HA   GLU  29           HA       GLU  29 -16.035  -2.736  -0.096
  230    HB2  GLU  29           HB2      GLU  29 -16.541  -2.975   2.305
  231    HB3  GLU  29           HB1      GLU  29 -15.090  -3.854   1.841
  232    HG2  GLU  29           HG2      GLU  29 -13.704  -2.100   2.725
  233    HG3  GLU  29           HG1      GLU  29 -15.129  -1.146   3.121
  234    H    LYS  30           HN       LYS  30 -14.399   0.091   0.865
  235    HA   LYS  30           HA       LYS  30 -16.906   1.616   0.744
  236    HB2  LYS  30           HB2      LYS  30 -14.591   2.155   2.618
  237    HB3  LYS  30           HB1      LYS  30 -16.021   3.161   2.441
  238    HG2  LYS  30           HG2      LYS  30 -17.401   1.253   3.209
  239    HG3  LYS  30           HG1      LYS  30 -15.914   0.348   3.497
  240    HD2  LYS  30           HD2      LYS  30 -16.680   1.321   5.569
  241    HD3  LYS  30           HD1      LYS  30 -15.186   2.112   5.063
  242    HE2  LYS  30           HE2      LYS  30 -16.843   3.721   5.887
  243    HE3  LYS  30           HE1      LYS  30 -16.452   3.991   4.189
  244    HZ1  LYS  30           HZ1      LYS  30 -18.822   2.443   5.084
  245    HZ2  LYS  30           HZ2      LYS  30 -18.488   3.022   3.525
  246    HZ3  LYS  30           HZ3      LYS  30 -18.868   4.109   4.763
  Start of MODEL    9
    1    H1   MET   1           HT1      MET   1  18.746   2.155  -0.521
    2    H2   MET   1           HT2      MET   1  18.241   1.091  -1.741
    3    H3   MET   1           HT3      MET   1  18.089   0.645  -0.113
    4    HA   MET   1           HA       MET   1  16.556   2.539   0.206
    5    HB2  MET   1           HB2      MET   1  16.974   2.679  -2.762
    6    HB3  MET   1           HB1      MET   1  15.449   3.199  -2.058
    7    HG2  MET   1           HG2      MET   1  18.161   4.293  -1.353
    8    HG3  MET   1           HG1      MET   1  16.994   5.053  -2.430
    9    HE1  MET   1           HE1      MET   1  14.233   4.461  -0.976
   10    HE2  MET   1           HE2      MET   1  14.653   6.044  -1.633
   11    HE3  MET   1           HE3      MET   1  14.055   5.904   0.019
   12    H    LYS   2           HN       LYS   2  15.385   0.929   1.113
   13    HA   LYS   2           HA       LYS   2  13.941  -0.943  -0.557
   14    HB2  LYS   2           HB2      LYS   2  13.880  -0.361   2.406
   15    HB3  LYS   2           HB1      LYS   2  12.801  -1.517   1.640
   16    HG2  LYS   2           HG2      LYS   2  15.806  -1.671   1.700
   17    HG3  LYS   2           HG1      LYS   2  14.691  -2.624   2.681
   18    HD2  LYS   2           HD2      LYS   2  13.714  -3.499   0.540
   19    HD3  LYS   2           HD1      LYS   2  15.036  -2.701  -0.311
   20    HE2  LYS   2           HE2      LYS   2  15.306  -4.834   1.801
   21    HE3  LYS   2           HE1      LYS   2  15.530  -5.053   0.066
   22    HZ1  LYS   2           HZ1      LYS   2  17.632  -4.815   1.244
   23    HZ2  LYS   2           HZ2      LYS   2  17.172  -3.280   1.797
   24    HZ3  LYS   2           HZ3      LYS   2  17.406  -3.549   0.135
   25    HA   PRO   3           HA       PRO   3  10.795   2.195  -1.218
   26    HB2  PRO   3           HB2      PRO   3   9.200   0.657  -2.803
   27    HB3  PRO   3           HB1      PRO   3  10.671   1.452  -3.398
   28    HG2  PRO   3           HG2      PRO   3  10.260  -1.385  -2.537
   29    HG3  PRO   3           HG1      PRO   3  11.150  -0.750  -3.931
   30    HD2  PRO   3           HD2      PRO   3  12.388  -1.551  -1.659
   31    HD3  PRO   3           HD1      PRO   3  13.010  -0.230  -2.669
   32    H    TYR   4           HN       TYR   4   8.314   2.080  -1.110
   33    HA   TYR   4           HA       TYR   4   7.666   0.716   1.378
   34    HB2  TYR   4           HB2      TYR   4   6.153   2.868  -0.152
   35    HB3  TYR   4           HB1      TYR   4   5.662   2.174   1.395
   36    HD1  TYR   4           HD1      TYR   4   8.093   4.354  -0.265
   37    HD2  TYR   4           HD2      TYR   4   6.814   2.745   3.454
   38    HE1  TYR   4           HE1      TYR   4   9.433   6.040   0.917
   39    HE2  TYR   4           HE2      TYR   4   8.156   4.425   4.647
   40    HH   TYR   4           HH       TYR   4   9.459   7.155   3.103
   41    H    VAL   5           HN       VAL   5   7.078  -1.309   1.050
   42    HA   VAL   5           HA       VAL   5   5.563  -1.998  -1.336
   43    HB   VAL   5           HB       VAL   5   6.070  -4.313  -0.805
   44   HG11  VAL   5          HG11      VAL   5   8.519  -2.563  -0.638
   45   HG12  VAL   5          HG12      VAL   5   7.673  -3.014  -2.119
   46   HG13  VAL   5          HG13      VAL   5   8.479  -4.252  -1.154
   47   HG21  VAL   5          HG21      VAL   5   7.556  -4.901   1.054
   48   HG22  VAL   5          HG22      VAL   5   6.045  -4.197   1.628
   49   HG23  VAL   5          HG23      VAL   5   7.518  -3.227   1.608
   50    H    CYS   6           HN       CYS   6   3.657  -3.097  -1.301
   51    HA   CYS   6           HA       CYS   6   1.806  -2.488   0.739
   52    HB2  CYS   6           HB2      CYS   6   1.188  -2.878  -1.620
   53    HB3  CYS   6           HB1      CYS   6   1.618  -4.571  -1.442
   54    H    ILE   7           HN       ILE   7   1.395  -3.481   2.580
   55    HA   ILE   7           HA       ILE   7   2.949  -5.658   3.468
   56    HB   ILE   7           HB       ILE   7   0.414  -4.702   4.785
   57   HG12  ILE   7          HG12      ILE   7   1.538  -2.665   4.291
   58   HG13  ILE   7          HG11      ILE   7   1.926  -3.035   5.968
   59   HG21  ILE   7          HG21      ILE   7   3.019  -5.779   5.840
   60   HG22  ILE   7          HG22      ILE   7   1.472  -6.622   5.789
   61   HG23  ILE   7          HG23      ILE   7   1.677  -5.218   6.835
   62   HD11  ILE   7          HD11      ILE   7   4.103  -3.873   5.287
   63   HD12  ILE   7          HD12      ILE   7   3.860  -2.217   4.726
   64   HD13  ILE   7          HD13      ILE   7   3.697  -3.566   3.596
   65    H    HIS   8           HN       HIS   8  -0.030  -5.448   1.800
   66    HA   HIS   8           HA       HIS   8  -0.986  -7.998   2.833
   67    HB2  HIS   8           HB2      HIS   8  -2.458  -5.919   2.434
   68    HB3  HIS   8           HB1      HIS   8  -2.370  -6.355   0.724
   69    HD1  HIS   8           HD1      HIS   8  -4.900  -6.412   2.808
   70    HD2  HIS   8           HD2      HIS   8  -2.841  -9.637   1.166
   71    HE1  HIS   8           HE1      HIS   8  -6.499  -8.352   2.876
   72    HE2  HIS   8           HE2      HIS   8  -5.160 -10.331   2.079
   73    H    CYS   9           HN       CYS   9   0.286  -6.665  -0.220
   74    HA   CYS   9           HA       CYS   9   0.060  -9.378  -1.307
   75    HB2  CYS   9           HB2      CYS   9  -0.757  -8.559  -3.363
   76    HB3  CYS   9           HB1      CYS   9  -1.718  -7.787  -2.120
   77    H    GLN  10           HN       GLN  10   2.141  -6.980  -0.507
   78    HA   GLN  10           HA       GLN  10   4.363  -6.705  -0.765
   79    HB2  GLN  10           HB2      GLN  10   4.131  -9.352  -2.189
   80    HB3  GLN  10           HB1      GLN  10   5.670  -8.546  -1.888
   81    HG2  GLN  10           HG2      GLN  10   5.233  -8.632   0.521
   82    HG3  GLN  10           HG1      GLN  10   3.709  -9.464   0.210
   83   HE21  GLN  10          HE21      GLN  10   4.849 -10.991  -2.012
   84   HE22  GLN  10          HE22      GLN  10   5.839 -12.222  -1.287
   85    H    ARG  11           HN       ARG  11   2.787  -5.287  -2.525
   86    HA   ARG  11           HA       ARG  11   4.250  -5.295  -5.049
   87    HB2  ARG  11           HB2      ARG  11   1.723  -3.969  -4.098
   88    HB3  ARG  11           HB1      ARG  11   2.555  -3.393  -5.543
   89    HG2  ARG  11           HG2      ARG  11   1.787  -6.272  -5.223
   90    HG3  ARG  11           HG1      ARG  11   0.649  -5.071  -5.834
   91    HD2  ARG  11           HD2      ARG  11   3.380  -5.538  -7.012
   92    HD3  ARG  11           HD1      ARG  11   1.917  -6.327  -7.598
   93    HE   ARG  11           HE       ARG  11   1.294  -3.675  -7.628
   94   HH11  ARG  11          HH11      ARG  11   3.857  -5.603  -9.036
   95   HH12  ARG  11          HH12      ARG  11   4.054  -4.573 -10.418
   96   HH21  ARG  11          HH21      ARG  11   1.530  -2.324  -9.452
   97   HH22  ARG  11          HH22      ARG  11   2.716  -2.706 -10.665
   98    H    GLN  12           HN       GLN  12   5.614  -3.627  -5.649
   99    HA   GLN  12           HA       GLN  12   6.689  -2.131  -3.398
  100    HB2  GLN  12           HB2      GLN  12   7.711  -2.471  -6.219
  101    HB3  GLN  12           HB1      GLN  12   8.588  -1.729  -4.895
  102    HG2  GLN  12           HG2      GLN  12   8.738  -3.799  -3.730
  103    HG3  GLN  12           HG1      GLN  12   7.647  -4.577  -4.874
  104   HE21  GLN  12          HE21      GLN  12  10.390  -5.278  -4.105
  105   HE22  GLN  12          HE22      GLN  12  11.298  -5.305  -5.586
  106    H    PHE  13           HN       PHE  13   6.259  -0.042  -3.065
  107    HA   PHE  13           HA       PHE  13   5.651   1.656  -5.385
  108    HB2  PHE  13           HB2      PHE  13   4.173   1.601  -2.742
  109    HB3  PHE  13           HB1      PHE  13   4.028   2.915  -3.922
  110    HD1  PHE  13           HD1      PHE  13   3.094   2.461  -6.153
  111    HD2  PHE  13           HD2      PHE  13   3.064  -0.464  -3.069
  112    HE1  PHE  13           HE1      PHE  13   1.403   1.177  -7.393
  113    HE2  PHE  13           HE2      PHE  13   1.374  -1.752  -4.300
  114    HZ   PHE  13           HZ       PHE  13   0.539  -0.935  -6.462
  115    H    ALA  14           HN       ALA  14   5.871   4.002  -4.866
  116    HA   ALA  14           HA       ALA  14   8.570   4.299  -3.850
  117    HB1  ALA  14           HB1      ALA  14   6.803   6.406  -5.059
  118    HB2  ALA  14           HB2      ALA  14   7.758   5.269  -6.017
  119    HB3  ALA  14           HB3      ALA  14   8.565   6.410  -4.940
  120    H    ASP  15           HN       ASP  15   5.346   5.191  -2.917
  121    HA   ASP  15           HA       ASP  15   6.430   6.994  -0.858
  122    HB2  ASP  15           HB2      ASP  15   3.902   7.341  -2.485
  123    HB3  ASP  15           HB1      ASP  15   4.415   8.379  -1.171
  124    HA   PRO  16           HA       PRO  16   4.009   4.644   2.056
  125    HB2  PRO  16           HB2      PRO  16   3.865   6.526   4.020
  126    HB3  PRO  16           HB1      PRO  16   5.308   5.552   3.722
  127    HG2  PRO  16           HG2      PRO  16   4.705   8.354   2.859
  128    HG3  PRO  16           HG1      PRO  16   6.214   7.683   3.504
  129    HD2  PRO  16           HD2      PRO  16   5.837   8.118   0.862
  130    HD3  PRO  16           HD1      PRO  16   6.827   6.771   1.474
  131    H    GLY  17           HN       GLY  17   3.191   7.838   0.910
  132    HA2  GLY  17           HA2      GLY  17   0.483   7.872   1.775
  133    HA3  GLY  17           HA1      GLY  17   1.172   8.837   0.475
  134    H    ALA  18           HN       ALA  18   2.138   6.546  -1.016
  135    HA   ALA  18           HA       ALA  18  -0.269   5.929  -2.430
  136    HB1  ALA  18           HB1      ALA  18   1.785   6.195  -3.673
  137    HB2  ALA  18           HB2      ALA  18   1.161   4.553  -3.867
  138    HB3  ALA  18           HB3      ALA  18   2.521   4.858  -2.787
  139    H    LEU  19           HN       LEU  19   1.636   4.335   0.032
  140    HA   LEU  19           HA       LEU  19   0.554   1.754  -0.412
  141    HB2  LEU  19           HB2      LEU  19   1.987   3.050   1.881
  142    HB3  LEU  19           HB1      LEU  19   1.228   1.475   2.083
  143    HG   LEU  19           HG       LEU  19   3.523   2.213   0.286
  144   HD11  LEU  19          HD11      LEU  19   3.165   0.211   2.508
  145   HD12  LEU  19          HD12      LEU  19   4.070   1.720   2.597
  146   HD13  LEU  19          HD13      LEU  19   4.626   0.417   1.546
  147   HD21  LEU  19          HD21      LEU  19   1.930  -0.348   0.331
  148   HD22  LEU  19          HD22      LEU  19   3.437  -0.093  -0.548
  149   HD23  LEU  19          HD23      LEU  19   1.990   0.812  -0.994
  150    H    GLN  20           HN       GLN  20  -0.391   4.591   1.394
  151    HA   GLN  20           HA       GLN  20  -2.367   3.129   2.775
  152    HB2  GLN  20           HB2      GLN  20  -3.027   5.196   3.837
  153    HB3  GLN  20           HB1      GLN  20  -1.283   5.078   3.796
  154    HG2  GLN  20           HG2      GLN  20  -1.576   7.254   3.234
  155    HG3  GLN  20           HG1      GLN  20  -1.486   6.506   1.643
  156   HE21  GLN  20          HE21      GLN  20  -4.267   6.260   3.744
  157   HE22  GLN  20          HE22      GLN  20  -5.319   7.248   2.785
  158    H    ARG  21           HN       ARG  21  -2.189   5.097   0.047
  159    HA   ARG  21           HA       ARG  21  -4.942   5.134  -0.652
  160    HB2  ARG  21           HB2      ARG  21  -2.827   6.396  -1.629
  161    HB3  ARG  21           HB1      ARG  21  -2.769   5.023  -2.713
  162    HG2  ARG  21           HG2      ARG  21  -5.232   6.709  -2.377
  163    HG3  ARG  21           HG1      ARG  21  -3.972   7.070  -3.557
  164    HD2  ARG  21           HD2      ARG  21  -4.301   4.881  -4.583
  165    HD3  ARG  21           HD1      ARG  21  -5.540   4.501  -3.390
  166    HE   ARG  21           HE       ARG  21  -6.237   6.888  -4.685
  167   HH11  ARG  21          HH11      ARG  21  -5.914   3.478  -5.386
  168   HH12  ARG  21          HH12      ARG  21  -7.140   3.474  -6.614
  169   HH21  ARG  21          HH21      ARG  21  -7.856   6.901  -6.289
  170   HH22  ARG  21          HH22      ARG  21  -8.243   5.428  -7.127
  171    H    HIS  22           HN       HIS  22  -2.269   2.959  -1.114
  172    HA   HIS  22           HA       HIS  22  -3.469   1.179  -2.976
  173    HB2  HIS  22           HB2      HIS  22  -1.030   1.383  -2.437
  174    HB3  HIS  22           HB1      HIS  22  -1.340   0.526  -0.948
  175    HD1  HIS  22           HD1      HIS  22  -1.553  -0.059  -4.720
  176    HD2  HIS  22           HD2      HIS  22  -1.301  -2.108  -1.113
  177    HE1  HIS  22           HE1      HIS  22  -1.251  -2.503  -5.307
  178    H    VAL  23           HN       VAL  23  -3.169   1.124   0.547
  179    HA   VAL  23           HA       VAL  23  -4.242  -1.451   0.751
  180    HB   VAL  23           HB       VAL  23  -4.011   0.696   2.867
  181   HG11  VAL  23          HG11      VAL  23  -4.310  -1.078   4.515
  182   HG12  VAL  23          HG12      VAL  23  -4.586  -2.245   3.221
  183   HG13  VAL  23          HG13      VAL  23  -5.734  -0.932   3.484
  184   HG21  VAL  23          HG21      VAL  23  -2.292  -1.717   2.277
  185   HG22  VAL  23          HG22      VAL  23  -2.056  -0.582   3.604
  186   HG23  VAL  23          HG23      VAL  23  -1.872  -0.039   1.935
  187    H    ARG  24           HN       ARG  24  -5.637   1.756   0.719
  188    HA   ARG  24           HA       ARG  24  -8.293   1.143   1.351
  189    HB2  ARG  24           HB2      ARG  24  -7.064   3.196  -0.474
  190    HB3  ARG  24           HB1      ARG  24  -8.796   3.108  -0.193
  191    HG2  ARG  24           HG2      ARG  24  -7.069   3.200   2.196
  192    HG3  ARG  24           HG1      ARG  24  -7.164   4.661   1.219
  193    HD2  ARG  24           HD2      ARG  24  -8.874   4.822   2.866
  194    HD3  ARG  24           HD1      ARG  24  -9.667   4.453   1.337
  195    HE   ARG  24           HE       ARG  24  -9.153   2.460   3.460
  196   HH11  ARG  24          HH11      ARG  24 -11.087   3.676   0.791
  197   HH12  ARG  24          HH12      ARG  24 -12.390   2.555   1.051
  198   HH21  ARG  24          HH21      ARG  24 -10.878   1.015   3.840
  199   HH22  ARG  24          HH22      ARG  24 -12.270   1.029   2.800
  200    H    ILE  25           HN       ILE  25  -6.405   0.468  -1.488
  201    HA   ILE  25           HA       ILE  25  -8.555  -0.111  -3.249
  202    HB   ILE  25           HB       ILE  25  -5.679  -1.034  -3.256
  203   HG12  ILE  25          HG12      ILE  25  -7.108   1.074  -4.886
  204   HG13  ILE  25          HG11      ILE  25  -6.012   1.376  -3.549
  205   HG21  ILE  25          HG21      ILE  25  -6.096  -1.597  -5.622
  206   HG22  ILE  25          HG22      ILE  25  -7.816  -1.359  -5.327
  207   HG23  ILE  25          HG23      ILE  25  -6.943  -2.636  -4.475
  208   HD11  ILE  25          HD11      ILE  25  -4.912   1.720  -5.683
  209   HD12  ILE  25          HD12      ILE  25  -5.282   0.059  -6.146
  210   HD13  ILE  25          HD13      ILE  25  -4.184   0.374  -4.802
  211    H    HIS  26           HN       HIS  26  -6.480  -2.195  -1.187
  212    HA   HIS  26           HA       HIS  26  -7.843  -4.598  -1.793
  213    HB2  HIS  26           HB2      HIS  26  -6.217  -3.797   0.618
  214    HB3  HIS  26           HB1      HIS  26  -6.970  -5.378   0.484
  215    HD1  HIS  26           HD1      HIS  26  -6.265  -6.179  -2.386
  216    HD2  HIS  26           HD2      HIS  26  -3.645  -4.263   0.218
  217    HE1  HIS  26           HE1      HIS  26  -3.914  -6.693  -3.211
  218    H    THR  27           HN       THR  27  -8.401  -2.069   0.563
  219    HA   THR  27           HA       THR  27 -10.694  -3.474   1.670
  220    HB   THR  27           HB       THR  27 -10.032  -0.637   2.371
  221    HG1  THR  27           HG1      THR  27  -8.008  -1.653   2.454
  222   HG21  THR  27          HG21      THR  27 -10.758  -1.365   4.585
  223   HG22  THR  27          HG22      THR  27 -10.907  -3.024   4.004
  224   HG23  THR  27          HG23      THR  27 -11.980  -1.771   3.377
  225    H    GLY  28           HN       GLY  28 -10.568  -2.591  -1.144
  226    HA2  GLY  28           HA2      GLY  28 -12.418  -0.419  -1.447
  227    HA3  GLY  28           HA1      GLY  28 -11.864  -1.508  -2.712
  228    H    GLU  29           HN       GLU  29 -13.899  -1.479   0.175
  229    HA   GLU  29           HA       GLU  29 -15.511  -3.672  -0.836
  230    HB2  GLU  29           HB2      GLU  29 -15.853  -2.027   1.682
  231    HB3  GLU  29           HB1      GLU  29 -16.555  -3.606   1.347
  232    HG2  GLU  29           HG2      GLU  29 -14.427  -4.661   1.425
  233    HG3  GLU  29           HG1      GLU  29 -13.596  -3.109   1.489
  234    H    LYS  30           HN       LYS  30 -15.514  -0.258  -0.664
  235    HA   LYS  30           HA       LYS  30 -18.035  -0.174  -2.148
  236    HB2  LYS  30           HB2      LYS  30 -17.229   1.627   0.144
  237    HB3  LYS  30           HB1      LYS  30 -18.496   2.045  -1.002
  238    HG2  LYS  30           HG2      LYS  30 -18.508  -0.428   0.713
  239    HG3  LYS  30           HG1      LYS  30 -19.341   1.078   1.111
  240    HD2  LYS  30           HD2      LYS  30 -20.752   0.888  -0.808
  241    HD3  LYS  30           HD1      LYS  30 -19.806  -0.461  -1.437
  242    HE2  LYS  30           HE2      LYS  30 -21.380  -0.510   1.135
  243    HE3  LYS  30           HE1      LYS  30 -21.950  -1.153  -0.404
  244    HZ1  LYS  30           HZ1      LYS  30 -19.715  -2.128   1.275
  245    HZ2  LYS  30           HZ2      LYS  30 -19.864  -2.568  -0.352
  246    HZ3  LYS  30           HZ3      LYS  30 -21.086  -2.980   0.747
  Start of MODEL   10
    1    H1   MET   1           HT1      MET   1  15.697   8.922   0.352
    2    H2   MET   1           HT2      MET   1  15.871   7.851   1.657
    3    H3   MET   1           HT3      MET   1  14.334   8.157   1.012
    4    HA   MET   1           HA       MET   1  14.853   7.088  -1.008
    5    HB2  MET   1           HB2      MET   1  17.068   5.963  -1.297
    6    HB3  MET   1           HB1      MET   1  17.143   7.717  -1.304
    7    HG2  MET   1           HG2      MET   1  17.959   7.718   0.978
    8    HG3  MET   1           HG1      MET   1  17.821   5.963   1.046
    9    HE1  MET   1           HE1      MET   1  19.366   4.294  -0.325
   10    HE2  MET   1           HE2      MET   1  20.529   4.829  -1.540
   11    HE3  MET   1           HE3      MET   1  18.803   5.075  -1.803
   12    H    LYS   2           HN       LYS   2  13.367   5.664  -0.482
   13    HA   LYS   2           HA       LYS   2  14.034   3.074   0.303
   14    HB2  LYS   2           HB2      LYS   2  14.299   3.945   2.572
   15    HB3  LYS   2           HB1      LYS   2  12.713   4.700   2.495
   16    HG2  LYS   2           HG2      LYS   2  12.563   2.697   3.803
   17    HG3  LYS   2           HG1      LYS   2  11.697   2.450   2.287
   18    HD2  LYS   2           HD2      LYS   2  12.879   0.477   2.485
   19    HD3  LYS   2           HD1      LYS   2  13.956   1.437   1.474
   20    HE2  LYS   2           HE2      LYS   2  14.198   1.125   4.466
   21    HE3  LYS   2           HE1      LYS   2  15.135   0.223   3.278
   22    HZ1  LYS   2           HZ1      LYS   2  16.414   2.056   4.114
   23    HZ2  LYS   2           HZ2      LYS   2  15.196   3.159   3.715
   24    HZ3  LYS   2           HZ3      LYS   2  16.042   2.350   2.485
   25    HA   PRO   3           HA       PRO   3  10.021   3.086  -1.706
   26    HB2  PRO   3           HB2      PRO   3   9.969   0.482  -2.359
   27    HB3  PRO   3           HB1      PRO   3  10.968   1.647  -3.247
   28    HG2  PRO   3           HG2      PRO   3  11.765  -0.265  -1.085
   29    HG3  PRO   3           HG1      PRO   3  12.572   0.099  -2.615
   30    HD2  PRO   3           HD2      PRO   3  13.347   1.192  -0.252
   31    HD3  PRO   3           HD1      PRO   3  13.532   2.029  -1.807
   32    H    TYR   4           HN       TYR   4   8.043   1.849  -1.398
   33    HA   TYR   4           HA       TYR   4   7.857   0.624   1.246
   34    HB2  TYR   4           HB2      TYR   4   6.048   2.778   0.113
   35    HB3  TYR   4           HB1      TYR   4   5.628   1.766   1.496
   36    HD1  TYR   4           HD2      TYR   4   7.058   1.845   3.559
   37    HD2  TYR   4           HD1      TYR   4   7.509   4.635   0.381
   38    HE1  TYR   4           HE2      TYR   4   8.328   3.327   5.052
   39    HE2  TYR   4           HE1      TYR   4   8.793   6.117   1.861
   40    HH   TYR   4           HH       TYR   4  10.081   5.132   4.773
   41    H    VAL   5           HN       VAL   5   6.948  -1.269   1.187
   42    HA   VAL   5           HA       VAL   5   5.608  -2.053  -1.291
   43    HB   VAL   5           HB       VAL   5   6.252  -4.327  -0.785
   44   HG11  VAL   5          HG11      VAL   5   8.662  -4.114  -1.072
   45   HG12  VAL   5          HG12      VAL   5   8.575  -2.432  -0.550
   46   HG13  VAL   5          HG13      VAL   5   7.793  -2.931  -2.048
   47   HG21  VAL   5          HG21      VAL   5   7.714  -4.876   1.093
   48   HG22  VAL   5          HG22      VAL   5   6.174  -4.227   1.660
   49   HG23  VAL   5          HG23      VAL   5   7.615  -3.210   1.659
   50    H    CYS   6           HN       CYS   6   3.744  -3.223  -1.256
   51    HA   CYS   6           HA       CYS   6   1.917  -2.664   0.821
   52    HB2  CYS   6           HB2      CYS   6   1.236  -2.998  -1.517
   53    HB3  CYS   6           HB1      CYS   6   1.697  -4.692  -1.407
   54    H    ILE   7           HN       ILE   7   1.303  -3.758   2.534
   55    HA   ILE   7           HA       ILE   7   2.946  -5.832   3.536
   56    HB   ILE   7           HB       ILE   7   0.373  -4.623   4.585
   57   HG12  ILE   7          HG12      ILE   7   2.014  -3.608   6.282
   58   HG13  ILE   7          HG11      ILE   7   3.286  -4.077   5.162
   59   HG21  ILE   7          HG21      ILE   7   0.938  -5.641   6.728
   60   HG22  ILE   7          HG22      ILE   7   2.318  -6.443   5.982
   61   HG23  ILE   7          HG23      ILE   7   0.680  -6.852   5.474
   62   HD11  ILE   7          HD11      ILE   7   0.991  -2.261   4.459
   63   HD12  ILE   7          HD12      ILE   7   2.401  -2.631   3.466
   64   HD13  ILE   7          HD13      ILE   7   2.592  -1.714   4.963
   65    H    HIS   8           HN       HIS   8  -0.049  -5.678   1.813
   66    HA   HIS   8           HA       HIS   8  -0.899  -8.297   2.744
   67    HB2  HIS   8           HB2      HIS   8  -2.467  -6.299   2.397
   68    HB3  HIS   8           HB1      HIS   8  -2.301  -6.621   0.668
   69    HD1  HIS   8           HD1      HIS   8  -3.773  -8.013   3.814
   70    HD2  HIS   8           HD2      HIS   8  -3.688  -8.859  -0.261
   71    HE1  HIS   8           HE1      HIS   8  -5.536  -9.771   3.446
   72    HE2  HIS   8           HE2      HIS   8  -5.567 -10.166   0.957
   73    H    CYS   9           HN       CYS   9  -0.004  -6.768  -0.372
   74    HA   CYS   9           HA       CYS   9  -0.072  -9.472  -1.515
   75    HB2  CYS   9           HB2      CYS   9  -0.810  -8.541  -3.574
   76    HB3  CYS   9           HB1      CYS   9  -1.812  -7.847  -2.311
   77    H    GLN  10           HN       GLN  10   1.996  -7.133  -0.564
   78    HA   GLN  10           HA       GLN  10   4.196  -6.716  -0.820
   79    HB2  GLN  10           HB2      GLN  10   4.095  -9.445  -2.098
   80    HB3  GLN  10           HB1      GLN  10   5.598  -8.573  -1.787
   81    HG2  GLN  10           HG2      GLN  10   5.063  -8.528   0.601
   82    HG3  GLN  10           HG1      GLN  10   3.580  -9.424   0.277
   83   HE21  GLN  10          HE21      GLN  10   6.563 -10.021  -1.422
   84   HE22  GLN  10          HE22      GLN  10   6.867 -11.586  -0.723
   85    H    ARG  11           HN       ARG  11   2.968  -5.177  -2.522
   86    HA   ARG  11           HA       ARG  11   4.528  -5.387  -4.993
   87    HB2  ARG  11           HB2      ARG  11   1.924  -3.998  -4.385
   88    HB3  ARG  11           HB1      ARG  11   2.881  -3.605  -5.805
   89    HG2  ARG  11           HG2      ARG  11   1.713  -6.307  -5.154
   90    HG3  ARG  11           HG1      ARG  11   1.076  -5.160  -6.331
   91    HD2  ARG  11           HD2      ARG  11   2.298  -6.773  -7.565
   92    HD3  ARG  11           HD1      ARG  11   3.299  -5.323  -7.521
   93    HE   ARG  11           HE       ARG  11   3.935  -7.113  -5.392
   94   HH11  ARG  11          HH11      ARG  11   4.423  -6.612  -8.829
   95   HH12  ARG  11          HH12      ARG  11   5.963  -7.425  -8.847
   96   HH21  ARG  11          HH21      ARG  11   5.938  -8.181  -5.422
   97   HH22  ARG  11          HH22      ARG  11   6.817  -8.330  -6.910
   98    H    GLN  12           HN       GLN  12   5.806  -3.633  -5.616
   99    HA   GLN  12           HA       GLN  12   6.696  -2.062  -3.341
  100    HB2  GLN  12           HB2      GLN  12   7.887  -2.402  -6.095
  101    HB3  GLN  12           HB1      GLN  12   8.643  -1.568  -4.752
  102    HG2  GLN  12           HG2      GLN  12   8.634  -3.694  -3.485
  103    HG3  GLN  12           HG1      GLN  12   7.993  -4.497  -4.915
  104   HE21  GLN  12          HE21      GLN  12  10.487  -4.949  -3.483
  105   HE22  GLN  12          HE22      GLN  12  11.760  -4.723  -4.654
  106    H    PHE  13           HN       PHE  13   6.254   0.000  -3.060
  107    HA   PHE  13           HA       PHE  13   5.778   1.695  -5.423
  108    HB2  PHE  13           HB2      PHE  13   4.310   1.782  -2.772
  109    HB3  PHE  13           HB1      PHE  13   4.240   3.075  -3.975
  110    HD1  PHE  13           HD2      PHE  13   3.320  -0.400  -3.240
  111    HD2  PHE  13           HD1      PHE  13   2.958   2.838  -5.980
  112    HE1  PHE  13           HE2      PHE  13   1.470  -1.565  -4.364
  113    HE2  PHE  13           HE1      PHE  13   1.106   1.680  -7.104
  114    HZ   PHE  13           HZ       PHE  13   0.429  -0.547  -6.385
  115    H    ALA  14           HN       ALA  14   5.870   4.159  -4.410
  116    HA   ALA  14           HA       ALA  14   8.638   4.235  -3.411
  117    HB1  ALA  14           HB1      ALA  14   7.146   6.348  -4.953
  118    HB2  ALA  14           HB2      ALA  14   8.232   5.153  -5.665
  119    HB3  ALA  14           HB3      ALA  14   8.860   6.356  -4.534
  120    H    ASP  15           HN       ASP  15   5.418   5.511  -2.897
  121    HA   ASP  15           HA       ASP  15   6.456   7.154  -0.670
  122    HB2  ASP  15           HB2      ASP  15   5.147   8.151  -2.801
  123    HB3  ASP  15           HB1      ASP  15   3.780   7.695  -1.819
  124    HA   PRO  16           HA       PRO  16   3.747   4.846   2.081
  125    HB2  PRO  16           HB2      PRO  16   3.572   7.356   3.618
  126    HB3  PRO  16           HB1      PRO  16   4.203   5.784   4.118
  127    HG2  PRO  16           HG2      PRO  16   5.825   7.886   3.690
  128    HG3  PRO  16           HG1      PRO  16   6.320   6.226   3.310
  129    HD2  PRO  16           HD2      PRO  16   5.347   8.384   1.472
  130    HD3  PRO  16           HD1      PRO  16   6.658   7.207   1.229
  131    H    GLY  17           HN       GLY  17   3.205   7.980   0.716
  132    HA2  GLY  17           HA2      GLY  17   0.505   8.415   1.079
  133    HA3  GLY  17           HA1      GLY  17   1.414   8.833  -0.378
  134    H    ALA  18           HN       ALA  18   2.061   6.525  -1.497
  135    HA   ALA  18           HA       ALA  18  -0.444   5.756  -2.627
  136    HB1  ALA  18           HB1      ALA  18   0.860   4.320  -4.094
  137    HB2  ALA  18           HB2      ALA  18   2.305   4.657  -3.140
  138    HB3  ALA  18           HB3      ALA  18   1.518   5.957  -4.037
  139    H    LEU  19           HN       LEU  19   1.579   4.456  -0.119
  140    HA   LEU  19           HA       LEU  19   0.586   1.797  -0.319
  141    HB2  LEU  19           HB2      LEU  19   2.360   3.290   1.483
  142    HB3  LEU  19           HB1      LEU  19   1.401   2.045   2.280
  143    HG   LEU  19           HG       LEU  19   3.627   1.239   1.586
  144   HD11  LEU  19          HD11      LEU  19   2.854  -0.809   0.506
  145   HD12  LEU  19          HD12      LEU  19   1.321  -0.031   0.117
  146   HD13  LEU  19          HD13      LEU  19   1.762  -0.317   1.799
  147   HD21  LEU  19          HD21      LEU  19   2.604   1.707  -1.210
  148   HD22  LEU  19          HD22      LEU  19   4.110   0.897  -0.775
  149   HD23  LEU  19          HD23      LEU  19   3.894   2.611  -0.418
  150    H    GLN  20           HN       GLN  20  -0.337   4.728   1.302
  151    HA   GLN  20           HA       GLN  20  -2.291   3.415   2.847
  152    HB2  GLN  20           HB2      GLN  20  -1.932   6.341   2.260
  153    HB3  GLN  20           HB1      GLN  20  -3.104   5.709   3.410
  154    HG2  GLN  20           HG2      GLN  20  -1.313   4.783   4.758
  155    HG3  GLN  20           HG1      GLN  20  -0.123   5.351   3.590
  156   HE21  GLN  20          HE21      GLN  20  -1.576   7.859   3.141
  157   HE22  GLN  20          HE22      GLN  20  -1.269   8.839   4.534
  158    H    ARG  21           HN       ARG  21  -2.224   5.191  -0.074
  159    HA   ARG  21           HA       ARG  21  -4.988   5.101  -0.708
  160    HB2  ARG  21           HB2      ARG  21  -2.883   6.321  -1.818
  161    HB3  ARG  21           HB1      ARG  21  -2.927   4.910  -2.857
  162    HG2  ARG  21           HG2      ARG  21  -4.144   6.765  -3.852
  163    HG3  ARG  21           HG1      ARG  21  -5.226   5.420  -3.487
  164    HD2  ARG  21           HD2      ARG  21  -6.158   7.641  -2.887
  165    HD3  ARG  21           HD1      ARG  21  -6.040   6.530  -1.523
  166    HE   ARG  21           HE       ARG  21  -3.763   8.282  -1.818
  167   HH11  ARG  21          HH11      ARG  21  -6.996   7.995  -0.480
  168   HH12  ARG  21          HH12      ARG  21  -6.677   9.082   0.844
  169   HH21  ARG  21          HH21      ARG  21  -3.359   9.729  -0.114
  170   HH22  ARG  21          HH22      ARG  21  -4.608  10.076   1.041
  171    H    HIS  22           HN       HIS  22  -2.314   2.947  -0.975
  172    HA   HIS  22           HA       HIS  22  -3.420   1.035  -2.750
  173    HB2  HIS  22           HB2      HIS  22  -0.996   1.336  -2.018
  174    HB3  HIS  22           HB1      HIS  22  -1.429   0.425  -0.585
  175    HD1  HIS  22           HD1      HIS  22  -1.277   0.006  -4.357
  176    HD2  HIS  22           HD2      HIS  22  -1.442  -2.217  -0.855
  177    HE1  HIS  22           HE1      HIS  22  -0.912  -2.405  -5.028
  178    H    VAL  23           HN       VAL  23  -3.301   1.223   0.791
  179    HA   VAL  23           HA       VAL  23  -4.262  -1.386   1.113
  180    HB   VAL  23           HB       VAL  23  -4.308   0.890   3.104
  181   HG11  VAL  23          HG11      VAL  23  -5.951  -0.803   3.715
  182   HG12  VAL  23          HG12      VAL  23  -4.572  -0.856   4.814
  183   HG13  VAL  23          HG13      VAL  23  -4.733  -2.068   3.540
  184   HG21  VAL  23          HG21      VAL  23  -2.402  -1.429   2.770
  185   HG22  VAL  23          HG22      VAL  23  -2.336  -0.210   4.044
  186   HG23  VAL  23          HG23      VAL  23  -2.066   0.255   2.365
  187    H    ARG  24           HN       ARG  24  -5.859   1.758   0.991
  188    HA   ARG  24           HA       ARG  24  -8.454   0.734   1.572
  189    HB2  ARG  24           HB2      ARG  24  -9.289   2.899   0.668
  190    HB3  ARG  24           HB1      ARG  24  -8.092   3.068   1.940
  191    HG2  ARG  24           HG2      ARG  24  -6.417   3.717   0.408
  192    HG3  ARG  24           HG1      ARG  24  -7.399   3.235  -0.975
  193    HD2  ARG  24           HD2      ARG  24  -7.405   5.647  -0.743
  194    HD3  ARG  24           HD1      ARG  24  -9.013   4.998  -0.434
  195    HE   ARG  24           HE       ARG  24  -7.195   5.706   1.781
  196   HH11  ARG  24          HH11      ARG  24 -10.269   6.013   0.115
  197   HH12  ARG  24          HH12      ARG  24 -10.984   6.998   1.358
  198   HH21  ARG  24          HH21      ARG  24  -8.142   6.999   3.412
  199   HH22  ARG  24          HH22      ARG  24  -9.793   7.526   3.239
  200    H    ILE  25           HN       ILE  25  -6.469   0.503  -1.159
  201    HA   ILE  25           HA       ILE  25  -8.522   0.128  -3.107
  202    HB   ILE  25           HB       ILE  25  -5.610  -0.635  -3.007
  203   HG12  ILE  25          HG12      ILE  25  -7.178   1.245  -4.772
  204   HG13  ILE  25          HG11      ILE  25  -6.175   1.705  -3.409
  205   HG21  ILE  25          HG21      ILE  25  -7.557  -1.236  -5.212
  206   HG22  ILE  25          HG22      ILE  25  -6.687  -2.409  -4.220
  207   HG23  ILE  25          HG23      ILE  25  -5.806  -1.365  -5.335
  208   HD11  ILE  25          HD11      ILE  25  -5.215   0.397  -5.933
  209   HD12  ILE  25          HD12      ILE  25  -4.204   0.848  -4.560
  210   HD13  ILE  25          HD13      ILE  25  -5.023   2.096  -5.499
  211    H    HIS  26           HN       HIS  26  -6.693  -1.995  -0.938
  212    HA   HIS  26           HA       HIS  26  -7.722  -4.426  -1.957
  213    HB2  HIS  26           HB2      HIS  26  -6.320  -3.673   0.575
  214    HB3  HIS  26           HB1      HIS  26  -7.069  -5.255   0.443
  215    HD1  HIS  26           HD1      HIS  26  -6.279  -6.078  -2.407
  216    HD2  HIS  26           HD2      HIS  26  -3.715  -4.186   0.273
  217    HE1  HIS  26           HE1      HIS  26  -3.912  -6.657  -3.140
  218    H    THR  27           HN       THR  27  -8.884  -2.216   0.547
  219    HA   THR  27           HA       THR  27 -11.013  -3.946   1.347
  220    HB   THR  27           HB       THR  27 -11.936  -1.490   2.022
  221    HG1  THR  27           HG1      THR  27 -10.407  -0.080   1.687
  222   HG21  THR  27          HG21      THR  27  -9.844  -3.115   3.470
  223   HG22  THR  27          HG22      THR  27 -11.593  -3.322   3.569
  224   HG23  THR  27          HG23      THR  27 -10.840  -1.860   4.203
  225    H    GLY  28           HN       GLY  28 -10.737  -1.204  -0.881
  226    HA2  GLY  28           HA2      GLY  28 -11.869  -0.876  -2.875
  227    HA3  GLY  28           HA1      GLY  28 -12.781  -2.342  -2.556
  228    H    GLU  29           HN       GLU  29 -13.479  -1.158   0.161
  229    HA   GLU  29           HA       GLU  29 -16.043  -0.305  -0.506
  230    HB2  GLU  29           HB2      GLU  29 -14.542   0.115   2.076
  231    HB3  GLU  29           HB1      GLU  29 -16.279   0.168   1.867
  232    HG2  GLU  29           HG2      GLU  29 -16.211  -2.212   1.161
  233    HG3  GLU  29           HG1      GLU  29 -14.498  -2.231   1.583
  234    H    LYS  30           HN       LYS  30 -13.207   1.518   0.533
  235    HA   LYS  30           HA       LYS  30 -14.577   3.983  -0.309
  236    HB2  LYS  30           HB2      LYS  30 -14.376   3.725   2.188
  237    HB3  LYS  30           HB1      LYS  30 -12.631   3.762   1.991
  238    HG2  LYS  30           HG2      LYS  30 -13.463   5.931   2.665
  239    HG3  LYS  30           HG1      LYS  30 -12.783   6.007   1.037
  240    HD2  LYS  30           HD2      LYS  30 -14.935   6.070   0.043
  241    HD3  LYS  30           HD1      LYS  30 -15.730   5.641   1.560
  242    HE2  LYS  30           HE2      LYS  30 -14.175   8.180   1.103
  243    HE3  LYS  30           HE1      LYS  30 -15.928   8.049   0.962
  244    HZ1  LYS  30           HZ1      LYS  30 -14.492   7.284   3.439
  245    HZ2  LYS  30           HZ2      LYS  30 -16.147   7.618   3.240
  246    HZ3  LYS  30           HZ3      LYS  30 -15.009   8.874   3.159
  Start of MODEL   11
    1    H1   MET   1           HT1      MET   1  15.638   4.880  -0.718
    2    H2   MET   1           HT2      MET   1  14.787   5.130  -2.161
    3    H3   MET   1           HT3      MET   1  16.328   5.807  -1.957
    4    HA   MET   1           HA       MET   1  16.456   3.911  -3.390
    5    HB2  MET   1           HB2      MET   1  18.346   4.360  -1.888
    6    HB3  MET   1           HB1      MET   1  17.600   3.376  -0.638
    7    HG2  MET   1           HG2      MET   1  19.380   2.169  -1.756
    8    HG3  MET   1           HG1      MET   1  17.820   1.402  -2.041
    9    HE1  MET   1           HE1      MET   1  19.106   0.015  -3.969
   10    HE2  MET   1           HE2      MET   1  20.590   0.933  -3.715
   11    HE3  MET   1           HE3      MET   1  19.919   0.778  -5.338
   12    H    LYS   2           HN       LYS   2  15.708   2.622  -0.121
   13    HA   LYS   2           HA       LYS   2  14.420   0.323  -1.267
   14    HB2  LYS   2           HB2      LYS   2  13.959  -0.335   1.037
   15    HB3  LYS   2           HB1      LYS   2  15.631   0.174   0.877
   16    HG2  LYS   2           HG2      LYS   2  14.926   2.414   1.788
   17    HG3  LYS   2           HG1      LYS   2  13.360   1.685   2.147
   18    HD2  LYS   2           HD2      LYS   2  16.040   0.800   3.217
   19    HD3  LYS   2           HD1      LYS   2  14.788   1.654   4.116
   20    HE2  LYS   2           HE2      LYS   2  14.401  -1.052   2.857
   21    HE3  LYS   2           HE1      LYS   2  14.896  -0.811   4.530
   22    HZ1  LYS   2           HZ1      LYS   2  12.491  -1.195   4.234
   23    HZ2  LYS   2           HZ2      LYS   2  12.379   0.252   3.369
   24    HZ3  LYS   2           HZ3      LYS   2  12.835   0.278   4.999
   25    HA   PRO   3           HA       PRO   3  10.539   2.451  -1.738
   26    HB2  PRO   3           HB2      PRO   3   9.166   0.460  -2.892
   27    HB3  PRO   3           HB1      PRO   3  10.469   1.302  -3.750
   28    HG2  PRO   3           HG2      PRO   3  10.526  -1.338  -2.340
   29    HG3  PRO   3           HG1      PRO   3  11.205  -0.894  -3.914
   30    HD2  PRO   3           HD2      PRO   3  12.684  -1.034  -1.620
   31    HD3  PRO   3           HD1      PRO   3  13.087   0.028  -2.983
   32    H    TYR   4           HN       TYR   4   8.195   1.935  -1.278
   33    HA   TYR   4           HA       TYR   4   7.991   0.532   1.296
   34    HB2  TYR   4           HB2      TYR   4   6.156   2.647   0.084
   35    HB3  TYR   4           HB1      TYR   4   5.961   1.879   1.663
   36    HD1  TYR   4           HD2      TYR   4   7.431   2.440   3.526
   37    HD2  TYR   4           HD1      TYR   4   7.869   4.332  -0.256
   38    HE1  TYR   4           HE2      TYR   4   8.830   4.174   4.565
   39    HE2  TYR   4           HE1      TYR   4   9.267   6.078   0.773
   40    HH   TYR   4           HH       TYR   4  10.608   5.791   3.857
   41    H    VAL   5           HN       VAL   5   7.316  -1.505   0.987
   42    HA   VAL   5           HA       VAL   5   5.739  -2.086  -1.387
   43    HB   VAL   5           HB       VAL   5   6.267  -4.382  -1.057
   44   HG11  VAL   5          HG11      VAL   5   7.985  -3.036  -2.098
   45   HG12  VAL   5          HG12      VAL   5   8.708  -4.335  -1.150
   46   HG13  VAL   5          HG13      VAL   5   8.691  -2.687  -0.520
   47   HG21  VAL   5          HG21      VAL   5   7.564  -5.214   0.848
   48   HG22  VAL   5          HG22      VAL   5   6.020  -4.534   1.362
   49   HG23  VAL   5          HG23      VAL   5   7.506  -3.610   1.580
   50    H    CYS   6           HN       CYS   6   3.786  -3.044  -1.404
   51    HA   CYS   6           HA       CYS   6   1.924  -2.482   0.570
   52    HB2  CYS   6           HB2      CYS   6   1.274  -2.957  -1.728
   53    HB3  CYS   6           HB1      CYS   6   1.813  -4.628  -1.561
   54    H    ILE   7           HN       ILE   7   1.221  -3.447   2.327
   55    HA   ILE   7           HA       ILE   7   2.799  -5.480   3.523
   56    HB   ILE   7           HB       ILE   7   0.264  -4.096   4.430
   57   HG12  ILE   7          HG12      ILE   7   1.932  -3.040   6.076
   58   HG13  ILE   7          HG11      ILE   7   3.186  -3.634   4.996
   59   HG21  ILE   7          HG21      ILE   7   0.438  -6.251   5.501
   60   HG22  ILE   7          HG22      ILE   7   0.757  -4.959   6.657
   61   HG23  ILE   7          HG23      ILE   7   2.094  -5.894   5.990
   62   HD11  ILE   7          HD11      ILE   7   2.312  -2.293   3.191
   63   HD12  ILE   7          HD12      ILE   7   2.624  -1.281   4.601
   64   HD13  ILE   7          HD13      ILE   7   0.972  -1.756   4.203
   65    H    HIS   8           HN       HIS   8  -0.146  -5.414   1.693
   66    HA   HIS   8           HA       HIS   8  -1.045  -7.946   2.835
   67    HB2  HIS   8           HB2      HIS   8  -2.612  -5.973   2.393
   68    HB3  HIS   8           HB1      HIS   8  -2.477  -6.397   0.684
   69    HD1  HIS   8           HD1      HIS   8  -3.651  -8.601  -0.100
   70    HD2  HIS   8           HD2      HIS   8  -4.140  -7.731   3.945
   71    HE1  HIS   8           HE1      HIS   8  -5.479 -10.120   0.712
   72    HE2  HIS   8           HE2      HIS   8  -5.865  -9.472   3.114
   73    H    CYS   9           HN       CYS   9   0.010  -6.663  -0.344
   74    HA   CYS   9           HA       CYS   9  -0.087  -9.447  -1.272
   75    HB2  CYS   9           HB2      CYS   9  -0.820  -8.740  -3.400
   76    HB3  CYS   9           HB1      CYS   9  -1.843  -7.926  -2.231
   77    H    GLN  10           HN       GLN  10   1.957  -7.052  -0.481
   78    HA   GLN  10           HA       GLN  10   4.143  -6.597  -0.803
   79    HB2  GLN  10           HB2      GLN  10   4.130  -9.351  -2.038
   80    HB3  GLN  10           HB1      GLN  10   5.589  -8.438  -1.649
   81    HG2  GLN  10           HG2      GLN  10   4.863  -8.396   0.723
   82    HG3  GLN  10           HG1      GLN  10   3.504  -9.430   0.283
   83   HE21  GLN  10          HE21      GLN  10   3.872 -11.567  -0.280
   84   HE22  GLN  10          HE22      GLN  10   5.365 -12.371   0.114
   85    H    ARG  11           HN       ARG  11   3.568  -4.893  -2.240
   86    HA   ARG  11           HA       ARG  11   4.697  -5.292  -4.892
   87    HB2  ARG  11           HB2      ARG  11   2.139  -5.260  -4.896
   88    HB3  ARG  11           HB1      ARG  11   2.282  -3.575  -4.391
   89    HG2  ARG  11           HG2      ARG  11   3.256  -2.924  -6.379
   90    HG3  ARG  11           HG1      ARG  11   3.656  -4.581  -6.831
   91    HD2  ARG  11           HD2      ARG  11   0.887  -3.392  -6.666
   92    HD3  ARG  11           HD1      ARG  11   1.769  -3.772  -8.146
   93    HE   ARG  11           HE       ARG  11   1.695  -6.136  -6.766
   94   HH11  ARG  11          HH11      ARG  11  -0.720  -3.885  -7.965
   95   HH12  ARG  11          HH12      ARG  11  -1.950  -5.106  -8.130
   96   HH21  ARG  11          HH21      ARG  11   0.061  -7.720  -6.928
   97   HH22  ARG  11          HH22      ARG  11  -1.513  -7.281  -7.530
   98    H    GLN  12           HN       GLN  12   5.970  -3.574  -5.549
   99    HA   GLN  12           HA       GLN  12   6.862  -1.923  -3.359
  100    HB2  GLN  12           HB2      GLN  12   7.891  -2.152  -6.185
  101    HB3  GLN  12           HB1      GLN  12   8.677  -1.283  -4.883
  102    HG2  GLN  12           HG2      GLN  12   8.874  -3.424  -3.645
  103    HG3  GLN  12           HG1      GLN  12   8.232  -4.248  -5.066
  104   HE21  GLN  12          HE21      GLN  12  10.816  -4.552  -3.780
  105   HE22  GLN  12          HE22      GLN  12  12.015  -4.159  -4.985
  106    H    PHE  13           HN       PHE  13   6.267   0.086  -2.993
  107    HA   PHE  13           HA       PHE  13   5.493   1.780  -5.274
  108    HB2  PHE  13           HB2      PHE  13   4.164   1.543  -2.579
  109    HB3  PHE  13           HB1      PHE  13   3.969   2.976  -3.597
  110    HD1  PHE  13           HD1      PHE  13   2.762   2.845  -5.706
  111    HD2  PHE  13           HD2      PHE  13   3.153  -0.550  -3.170
  112    HE1  PHE  13           HE1      PHE  13   0.940   1.728  -6.922
  113    HE2  PHE  13           HE2      PHE  13   1.334  -1.676  -4.387
  114    HZ   PHE  13           HZ       PHE  13   0.298  -0.557  -6.348
  115    H    ALA  14           HN       ALA  14   6.000   3.969  -5.106
  116    HA   ALA  14           HA       ALA  14   8.558   4.457  -3.948
  117    HB1  ALA  14           HB1      ALA  14   6.727   6.536  -5.104
  118    HB2  ALA  14           HB2      ALA  14   7.636   5.402  -6.114
  119    HB3  ALA  14           HB3      ALA  14   8.494   6.531  -5.062
  120    H    ASP  15           HN       ASP  15   5.306   5.240  -2.999
  121    HA   ASP  15           HA       ASP  15   6.348   7.088  -0.955
  122    HB2  ASP  15           HB2      ASP  15   3.759   7.315  -2.510
  123    HB3  ASP  15           HB1      ASP  15   4.284   8.398  -1.237
  124    HA   PRO  16           HA       PRO  16   4.077   4.602   1.990
  125    HB2  PRO  16           HB2      PRO  16   3.959   7.051   3.618
  126    HB3  PRO  16           HB1      PRO  16   4.729   5.505   3.980
  127    HG2  PRO  16           HG2      PRO  16   6.168   7.712   3.427
  128    HG3  PRO  16           HG1      PRO  16   6.705   6.090   2.951
  129    HD2  PRO  16           HD2      PRO  16   5.427   8.230   1.293
  130    HD3  PRO  16           HD1      PRO  16   6.754   7.116   0.881
  131    H    GLY  17           HN       GLY  17   3.160   7.823   0.951
  132    HA2  GLY  17           HA2      GLY  17   0.434   7.727   1.747
  133    HA3  GLY  17           HA1      GLY  17   1.117   8.781   0.514
  134    H    ALA  18           HN       ALA  18   2.177   6.340  -0.909
  135    HA   ALA  18           HA       ALA  18  -0.197   5.785  -2.443
  136    HB1  ALA  18           HB1      ALA  18   1.892   6.012  -3.632
  137    HB2  ALA  18           HB2      ALA  18   1.258   4.373  -3.816
  138    HB3  ALA  18           HB3      ALA  18   2.591   4.684  -2.704
  139    H    LEU  19           HN       LEU  19   1.630   4.249   0.102
  140    HA   LEU  19           HA       LEU  19   0.529   1.661  -0.305
  141    HB2  LEU  19           HB2      LEU  19   2.046   2.987   1.904
  142    HB3  LEU  19           HB1      LEU  19   1.196   1.478   2.228
  143    HG   LEU  19           HG       LEU  19   3.438   1.926   0.265
  144   HD11  LEU  19          HD11      LEU  19   4.113   1.644   2.594
  145   HD12  LEU  19          HD12      LEU  19   4.562   0.234   1.634
  146   HD13  LEU  19          HD13      LEU  19   3.158   0.164   2.698
  147   HD21  LEU  19          HD21      LEU  19   1.662  -0.477   0.672
  148   HD22  LEU  19          HD22      LEU  19   3.179  -0.496  -0.232
  149   HD23  LEU  19          HD23      LEU  19   1.828   0.487  -0.797
  150    H    GLN  20           HN       GLN  20  -0.314   4.529   1.513
  151    HA   GLN  20           HA       GLN  20  -2.400   3.201   2.838
  152    HB2  GLN  20           HB2      GLN  20  -3.098   5.370   3.704
  153    HB3  GLN  20           HB1      GLN  20  -1.354   5.215   3.793
  154    HG2  GLN  20           HG2      GLN  20  -1.243   7.191   2.819
  155    HG3  GLN  20           HG1      GLN  20  -1.724   6.367   1.343
  156   HE21  GLN  20          HE21      GLN  20  -4.444   5.866   2.550
  157   HE22  GLN  20          HE22      GLN  20  -5.258   7.382   2.368
  158    H    ARG  21           HN       ARG  21  -2.127   5.112   0.047
  159    HA   ARG  21           HA       ARG  21  -4.809   5.187  -0.812
  160    HB2  ARG  21           HB2      ARG  21  -2.879   6.360  -1.893
  161    HB3  ARG  21           HB1      ARG  21  -2.333   4.820  -2.518
  162    HG2  ARG  21           HG2      ARG  21  -3.494   5.987  -4.248
  163    HG3  ARG  21           HG1      ARG  21  -4.461   4.600  -3.746
  164    HD2  ARG  21           HD2      ARG  21  -5.687   6.223  -2.215
  165    HD3  ARG  21           HD1      ARG  21  -4.896   7.506  -3.129
  166    HE   ARG  21           HE       ARG  21  -6.546   5.479  -4.477
  167   HH11  ARG  21          HH11      ARG  21  -5.728   8.826  -3.863
  168   HH12  ARG  21          HH12      ARG  21  -6.976   9.449  -4.904
  169   HH21  ARG  21          HH21      ARG  21  -8.141   6.269  -5.859
  170   HH22  ARG  21          HH22      ARG  21  -8.344   7.984  -6.071
  171    H    HIS  22           HN       HIS  22  -2.258   2.873  -1.088
  172    HA   HIS  22           HA       HIS  22  -3.512   1.022  -2.813
  173    HB2  HIS  22           HB2      HIS  22  -1.056   1.236  -2.153
  174    HB3  HIS  22           HB1      HIS  22  -1.469   0.296  -0.739
  175    HD1  HIS  22           HD1      HIS  22  -1.648  -0.035  -4.543
  176    HD2  HIS  22           HD2      HIS  22  -1.436  -2.316  -1.075
  177    HE1  HIS  22           HE1      HIS  22  -1.336  -2.434  -5.287
  178    H    VAL  23           HN       VAL  23  -3.469   1.323   0.707
  179    HA   VAL  23           HA       VAL  23  -4.488  -1.287   1.026
  180    HB   VAL  23           HB       VAL  23  -4.506   0.956   3.063
  181   HG11  VAL  23          HG11      VAL  23  -4.857  -2.023   3.406
  182   HG12  VAL  23          HG12      VAL  23  -6.103  -0.791   3.626
  183   HG13  VAL  23          HG13      VAL  23  -4.720  -0.849   4.719
  184   HG21  VAL  23          HG21      VAL  23  -2.502  -0.130   3.962
  185   HG22  VAL  23          HG22      VAL  23  -2.247   0.412   2.303
  186   HG23  VAL  23          HG23      VAL  23  -2.537  -1.295   2.639
  187    H    ARG  24           HN       ARG  24  -5.870   1.883   0.615
  188    HA   ARG  24           HA       ARG  24  -8.581   1.379   1.150
  189    HB2  ARG  24           HB2      ARG  24  -7.568   3.002  -1.188
  190    HB3  ARG  24           HB1      ARG  24  -9.077   3.210  -0.319
  191    HG2  ARG  24           HG2      ARG  24  -6.486   3.570   1.106
  192    HG3  ARG  24           HG1      ARG  24  -7.102   4.844   0.060
  193    HD2  ARG  24           HD2      ARG  24  -9.312   4.408   1.460
  194    HD3  ARG  24           HD1      ARG  24  -8.146   3.825   2.651
  195    HE   ARG  24           HE       ARG  24  -7.383   6.353   1.577
  196   HH11  ARG  24          HH11      ARG  24  -9.443   4.840   3.959
  197   HH12  ARG  24          HH12      ARG  24  -9.641   6.290   4.893
  198   HH21  ARG  24          HH21      ARG  24  -7.615   8.249   2.798
  199   HH22  ARG  24          HH22      ARG  24  -8.591   8.228   4.238
  200    H    ILE  25           HN       ILE  25  -6.515   0.641  -1.564
  201    HA   ILE  25           HA       ILE  25  -8.391  -0.197  -3.451
  202    HB   ILE  25           HB       ILE  25  -5.551  -1.126  -3.019
  203   HG12  ILE  25          HG12      ILE  25  -5.949   1.354  -3.316
  204   HG13  ILE  25          HG11      ILE  25  -4.865   0.621  -4.489
  205   HG21  ILE  25          HG21      ILE  25  -7.321  -1.356  -5.440
  206   HG22  ILE  25          HG22      ILE  25  -6.706  -2.677  -4.445
  207   HG23  ILE  25          HG23      ILE  25  -5.593  -1.708  -5.411
  208   HD11  ILE  25          HD11      ILE  25  -7.764   1.329  -4.915
  209   HD12  ILE  25          HD12      ILE  25  -6.722   0.549  -6.105
  210   HD13  ILE  25          HD13      ILE  25  -6.362   2.187  -5.561
  211    H    HIS  26           HN       HIS  26  -6.704  -2.004  -0.898
  212    HA   HIS  26           HA       HIS  26  -7.689  -4.534  -1.793
  213    HB2  HIS  26           HB2      HIS  26  -6.152  -3.625   0.602
  214    HB3  HIS  26           HB1      HIS  26  -6.879  -5.227   0.597
  215    HD1  HIS  26           HD1      HIS  26  -6.230  -6.273  -2.171
  216    HD2  HIS  26           HD2      HIS  26  -3.579  -4.031   0.129
  217    HE1  HIS  26           HE1      HIS  26  -3.895  -6.815  -3.026
  218    H    THR  27           HN       THR  27  -8.494  -2.476   1.022
  219    HA   THR  27           HA       THR  27 -10.938  -4.094   1.259
  220    HB   THR  27           HB       THR  27  -9.313  -4.784   2.985
  221    HG1  THR  27           HG1      THR  27 -10.879  -4.146   4.827
  222   HG21  THR  27          HG21      THR  27  -8.149  -2.669   3.338
  223   HG22  THR  27          HG22      THR  27  -8.804  -3.277   4.858
  224   HG23  THR  27          HG23      THR  27  -9.615  -1.959   4.015
  225    H    GLY  28           HN       GLY  28  -9.413  -0.956   1.715
  226    HA2  GLY  28           HA2      GLY  28 -10.418   1.107   1.368
  227    HA3  GLY  28           HA1      GLY  28 -11.972   0.300   1.239
  228    H    GLU  29           HN       GLU  29 -11.088  -1.028   3.927
  229    HA   GLU  29           HA       GLU  29 -12.598   0.611   5.643
  230    HB2  GLU  29           HB2      GLU  29 -10.508  -1.424   6.432
  231    HB3  GLU  29           HB1      GLU  29 -11.830  -0.836   7.430
  232    HG2  GLU  29           HG2      GLU  29 -13.438  -1.881   5.948
  233    HG3  GLU  29           HG1      GLU  29 -12.129  -2.439   4.904
  234    H    LYS  30           HN       LYS  30  -9.133   0.179   5.222
  235    HA   LYS  30           HA       LYS  30  -8.668   2.536   6.910
  236    HB2  LYS  30           HB2      LYS  30  -6.800   0.202   6.444
  237    HB3  LYS  30           HB1      LYS  30  -6.518   1.566   7.519
  238    HG2  LYS  30           HG2      LYS  30  -8.421   0.878   8.893
  239    HG3  LYS  30           HG1      LYS  30  -8.691  -0.496   7.822
  240    HD2  LYS  30           HD2      LYS  30  -6.469  -1.362   8.382
  241    HD3  LYS  30           HD1      LYS  30  -6.208   0.012   9.456
  242    HE2  LYS  30           HE2      LYS  30  -8.310  -2.128   9.741
  243    HE3  LYS  30           HE1      LYS  30  -6.873  -1.924  10.743
  244    HZ1  LYS  30           HZ1      LYS  30  -8.573  -0.966  11.978
  245    HZ2  LYS  30           HZ2      LYS  30  -9.301  -0.243  10.630
  246    HZ3  LYS  30           HZ3      LYS  30  -7.843   0.376  11.241
  Start of MODEL   12
    1    H1   MET   1           HT1      MET   1  18.986   2.137   1.029
    2    H2   MET   1           HT2      MET   1  18.191   2.857   2.339
    3    H3   MET   1           HT3      MET   1  19.103   3.811   1.281
    4    HA   MET   1           HA       MET   1  16.763   4.086   0.862
    5    HB2  MET   1           HB2      MET   1  18.309   2.595  -1.263
    6    HB3  MET   1           HB1      MET   1  16.765   3.375  -1.567
    7    HG2  MET   1           HG2      MET   1  18.495   4.828  -2.310
    8    HG3  MET   1           HG1      MET   1  17.778   5.529  -0.862
    9    HE1  MET   1           HE1      MET   1  20.392   2.556  -1.180
   10    HE2  MET   1           HE2      MET   1  21.903   3.448  -1.003
   11    HE3  MET   1           HE3      MET   1  20.881   3.717  -2.415
   12    H    LYS   2           HN       LYS   2  14.842   3.251   1.169
   13    HA   LYS   2           HA       LYS   2  14.341   0.422   0.591
   14    HB2  LYS   2           HB2      LYS   2  14.909   0.456   2.956
   15    HB3  LYS   2           HB1      LYS   2  13.782   1.775   3.239
   16    HG2  LYS   2           HG2      LYS   2  12.770  -0.217   4.034
   17    HG3  LYS   2           HG1      LYS   2  11.936   0.239   2.549
   18    HD2  LYS   2           HD2      LYS   2  12.323  -2.151   2.576
   19    HD3  LYS   2           HD1      LYS   2  13.299  -1.402   1.311
   20    HE2  LYS   2           HE2      LYS   2  15.272  -1.538   2.661
   21    HE3  LYS   2           HE1      LYS   2  14.337  -2.052   4.063
   22    HZ1  LYS   2           HZ1      LYS   2  15.526  -3.872   2.896
   23    HZ2  LYS   2           HZ2      LYS   2  14.526  -3.627   1.550
   24    HZ3  LYS   2           HZ3      LYS   2  13.859  -4.121   3.028
   25    HA   PRO   3           HA       PRO   3  10.696   2.546  -0.960
   26    HB2  PRO   3           HB2      PRO   3   9.649   0.479  -2.306
   27    HB3  PRO   3           HB1      PRO   3  11.082   1.336  -2.900
   28    HG2  PRO   3           HG2      PRO   3  10.910  -1.262  -1.420
   29    HG3  PRO   3           HG1      PRO   3  11.896  -0.839  -2.829
   30    HD2  PRO   3           HD2      PRO   3  12.861  -0.863  -0.272
   31    HD3  PRO   3           HD1      PRO   3  13.511   0.177  -1.554
   32    H    TYR   4           HN       TYR   4   8.303   1.929  -0.975
   33    HA   TYR   4           HA       TYR   4   7.693   0.692   1.615
   34    HB2  TYR   4           HB2      TYR   4   6.024   2.703   0.048
   35    HB3  TYR   4           HB1      TYR   4   5.712   2.094   1.677
   36    HD1  TYR   4           HD2      TYR   4   7.021   2.853   3.580
   37    HD2  TYR   4           HD1      TYR   4   7.787   4.330  -0.334
   38    HE1  TYR   4           HE2      TYR   4   8.381   4.665   4.538
   39    HE2  TYR   4           HE1      TYR   4   9.152   6.141   0.608
   40    HH   TYR   4           HH       TYR   4  10.193   6.176   3.842
   41    H    VAL   5           HN       VAL   5   6.933  -1.298   1.417
   42    HA   VAL   5           HA       VAL   5   5.738  -2.070  -1.135
   43    HB   VAL   5           HB       VAL   5   6.286  -4.366  -0.531
   44   HG11  VAL   5          HG11      VAL   5   8.715  -4.210  -0.669
   45   HG12  VAL   5          HG12      VAL   5   8.635  -2.512  -0.199
   46   HG13  VAL   5          HG13      VAL   5   7.941  -3.036  -1.735
   47   HG21  VAL   5          HG21      VAL   5   6.054  -4.223   1.887
   48   HG22  VAL   5          HG22      VAL   5   7.475  -3.183   1.974
   49   HG23  VAL   5          HG23      VAL   5   7.640  -4.862   1.456
   50    H    CYS   6           HN       CYS   6   3.862  -3.248  -1.248
   51    HA   CYS   6           HA       CYS   6   1.908  -2.711   0.744
   52    HB2  CYS   6           HB2      CYS   6   1.411  -2.982  -1.700
   53    HB3  CYS   6           HB1      CYS   6   1.710  -4.705  -1.516
   54    H    ILE   7           HN       ILE   7   1.425  -3.821   2.478
   55    HA   ILE   7           HA       ILE   7   2.950  -6.060   3.278
   56    HB   ILE   7           HB       ILE   7   0.504  -4.759   4.503
   57   HG12  ILE   7          HG12      ILE   7   2.296  -3.962   6.178
   58   HG13  ILE   7          HG11      ILE   7   3.467  -4.408   4.946
   59   HG21  ILE   7          HG21      ILE   7   2.386  -6.764   5.721
   60   HG22  ILE   7          HG22      ILE   7   0.711  -7.052   5.257
   61   HG23  ILE   7          HG23      ILE   7   1.083  -5.925   6.562
   62   HD11  ILE   7          HD11      ILE   7   1.230  -2.442   4.525
   63   HD12  ILE   7          HD12      ILE   7   2.558  -2.801   3.419
   64   HD13  ILE   7          HD13      ILE   7   2.882  -2.008   4.961
   65    H    HIS   8           HN       HIS   8  -0.029  -5.676   1.582
   66    HA   HIS   8           HA       HIS   8  -1.043  -8.259   2.485
   67    HB2  HIS   8           HB2      HIS   8  -2.550  -6.258   2.335
   68    HB3  HIS   8           HB1      HIS   8  -2.362  -6.319   0.579
   69    HD1  HIS   8           HD1      HIS   8  -3.825  -8.281   3.453
   70    HD2  HIS   8           HD2      HIS   8  -3.969  -8.169  -0.708
   71    HE1  HIS   8           HE1      HIS   8  -5.704  -9.819   2.792
   72    HE2  HIS   8           HE2      HIS   8  -5.849  -9.662   0.280
   73    H    CYS   9           HN       CYS   9   0.112  -6.737  -0.538
   74    HA   CYS   9           HA       CYS   9  -0.184  -9.384  -1.767
   75    HB2  CYS   9           HB2      CYS   9  -0.857  -8.385  -3.803
   76    HB3  CYS   9           HB1      CYS   9  -1.828  -7.665  -2.536
   77    H    GLN  10           HN       GLN  10   2.043  -7.201  -0.764
   78    HA   GLN  10           HA       GLN  10   4.303  -7.255  -0.838
   79    HB2  GLN  10           HB2      GLN  10   3.829  -9.735  -2.490
   80    HB3  GLN  10           HB1      GLN  10   5.415  -9.213  -1.920
   81    HG2  GLN  10           HG2      GLN  10   4.702  -9.460   0.377
   82    HG3  GLN  10           HG1      GLN  10   3.071  -9.877  -0.149
   83   HE21  GLN  10          HE21      GLN  10   4.020 -11.473  -2.390
   84   HE22  GLN  10          HE22      GLN  10   4.622 -12.957  -1.705
   85    H    ARG  11           HN       ARG  11   3.214  -5.444  -2.531
   86    HA   ARG  11           HA       ARG  11   4.978  -5.580  -4.869
   87    HB2  ARG  11           HB2      ARG  11   2.203  -4.543  -4.533
   88    HB3  ARG  11           HB1      ARG  11   3.265  -3.737  -5.685
   89    HG2  ARG  11           HG2      ARG  11   3.563  -5.774  -6.919
   90    HG3  ARG  11           HG1      ARG  11   2.675  -6.689  -5.700
   91    HD2  ARG  11           HD2      ARG  11   1.358  -6.146  -7.746
   92    HD3  ARG  11           HD1      ARG  11   0.639  -5.575  -6.242
   93    HE   ARG  11           HE       ARG  11   2.279  -3.616  -7.598
   94   HH11  ARG  11          HH11      ARG  11  -0.906  -5.056  -7.379
   95   HH12  ARG  11          HH12      ARG  11  -1.741  -3.617  -7.894
   96   HH21  ARG  11          HH21      ARG  11   1.190  -1.715  -8.295
   97   HH22  ARG  11          HH22      ARG  11  -0.545  -1.710  -8.408
   98    H    GLN  12           HN       GLN  12   6.158  -3.709  -5.421
   99    HA   GLN  12           HA       GLN  12   6.835  -2.152  -3.054
  100    HB2  GLN  12           HB2      GLN  12   8.224  -2.347  -5.728
  101    HB3  GLN  12           HB1      GLN  12   8.856  -1.588  -4.282
  102    HG2  GLN  12           HG2      GLN  12   8.978  -3.701  -3.156
  103    HG3  GLN  12           HG1      GLN  12   8.201  -4.506  -4.521
  104   HE21  GLN  12          HE21      GLN  12   9.919  -5.889  -4.847
  105   HE22  GLN  12          HE22      GLN  12  11.441  -5.357  -5.503
  106    H    PHE  13           HN       PHE  13   6.291  -0.074  -2.806
  107    HA   PHE  13           HA       PHE  13   5.679   1.506  -5.220
  108    HB2  PHE  13           HB2      PHE  13   4.303   1.637  -2.522
  109    HB3  PHE  13           HB1      PHE  13   4.023   2.769  -3.853
  110    HD1  PHE  13           HD1      PHE  13   2.945   1.996  -5.916
  111    HD2  PHE  13           HD2      PHE  13   3.356  -0.537  -2.528
  112    HE1  PHE  13           HE1      PHE  13   1.265   0.474  -6.859
  113    HE2  PHE  13           HE2      PHE  13   1.672  -2.069  -3.465
  114    HZ   PHE  13           HZ       PHE  13   0.623  -1.562  -5.631
  115    H    ALA  14           HN       ALA  14   5.839   3.889  -4.784
  116    HA   ALA  14           HA       ALA  14   8.536   4.312  -3.781
  117    HB1  ALA  14           HB1      ALA  14   6.739   6.275  -5.189
  118    HB2  ALA  14           HB2      ALA  14   7.761   5.099  -6.032
  119    HB3  ALA  14           HB3      ALA  14   8.496   6.346  -5.022
  120    H    ASP  15           HN       ASP  15   5.263   5.313  -3.054
  121    HA   ASP  15           HA       ASP  15   6.329   7.275  -1.136
  122    HB2  ASP  15           HB2      ASP  15   3.763   7.430  -2.732
  123    HB3  ASP  15           HB1      ASP  15   4.316   8.614  -1.567
  124    HA   PRO  16           HA       PRO  16   4.113   5.104   2.065
  125    HB2  PRO  16           HB2      PRO  16   3.878   7.795   3.278
  126    HB3  PRO  16           HB1      PRO  16   4.589   6.322   3.941
  127    HG2  PRO  16           HG2      PRO  16   6.117   8.364   3.131
  128    HG3  PRO  16           HG1      PRO  16   6.623   6.678   2.921
  129    HD2  PRO  16           HD2      PRO  16   5.532   8.596   0.905
  130    HD3  PRO  16           HD1      PRO  16   6.792   7.350   0.723
  131    H    GLY  17           HN       GLY  17   3.038   8.201   0.763
  132    HA2  GLY  17           HA2      GLY  17   0.347   8.106   1.560
  133    HA3  GLY  17           HA1      GLY  17   0.974   8.982   0.171
  134    H    ALA  18           HN       ALA  18   2.012   6.692  -1.197
  135    HA   ALA  18           HA       ALA  18  -0.336   5.902  -2.579
  136    HB1  ALA  18           HB1      ALA  18   1.122   4.403  -3.844
  137    HB2  ALA  18           HB2      ALA  18   2.453   4.799  -2.756
  138    HB3  ALA  18           HB3      ALA  18   1.746   6.052  -3.779
  139    H    LEU  19           HN       LEU  19   1.592   4.442  -0.028
  140    HA   LEU  19           HA       LEU  19   0.440   1.866  -0.259
  141    HB2  LEU  19           HB2      LEU  19   2.194   3.274   1.638
  142    HB3  LEU  19           HB1      LEU  19   1.144   2.063   2.377
  143    HG   LEU  19           HG       LEU  19   3.337   1.131   1.825
  144   HD11  LEU  19          HD11      LEU  19   1.360  -0.313   1.766
  145   HD12  LEU  19          HD12      LEU  19   2.577  -0.823   0.596
  146   HD13  LEU  19          HD13      LEU  19   1.147   0.053   0.052
  147   HD21  LEU  19          HD21      LEU  19   3.849   2.591  -0.074
  148   HD22  LEU  19          HD22      LEU  19   2.625   1.759  -1.035
  149   HD23  LEU  19          HD23      LEU  19   4.057   0.887  -0.474
  150    H    GLN  20           HN       GLN  20  -0.427   4.866   1.208
  151    HA   GLN  20           HA       GLN  20  -2.394   3.700   2.840
  152    HB2  GLN  20           HB2      GLN  20  -2.254   6.587   2.014
  153    HB3  GLN  20           HB1      GLN  20  -3.099   5.937   3.412
  154    HG2  GLN  20           HG2      GLN  20  -0.114   5.887   3.029
  155    HG3  GLN  20           HG1      GLN  20  -0.992   7.079   3.981
  156   HE21  GLN  20          HE21      GLN  20   0.190   6.500   5.815
  157   HE22  GLN  20          HE22      GLN  20  -0.147   5.039   6.686
  158    H    ARG  21           HN       ARG  21  -2.327   5.276  -0.193
  159    HA   ARG  21           HA       ARG  21  -5.117   5.153  -0.732
  160    HB2  ARG  21           HB2      ARG  21  -2.701   5.929  -2.140
  161    HB3  ARG  21           HB1      ARG  21  -3.776   5.014  -3.186
  162    HG2  ARG  21           HG2      ARG  21  -4.236   7.362  -3.411
  163    HG3  ARG  21           HG1      ARG  21  -5.602   6.570  -2.621
  164    HD2  ARG  21           HD2      ARG  21  -4.595   7.284  -0.424
  165    HD3  ARG  21           HD1      ARG  21  -3.467   8.273  -1.354
  166    HE   ARG  21           HE       ARG  21  -6.352   8.637  -1.728
  167   HH11  ARG  21          HH11      ARG  21  -3.246   9.902  -0.714
  168   HH12  ARG  21          HH12      ARG  21  -3.830  11.522  -0.523
  169   HH21  ARG  21          HH21      ARG  21  -7.119  10.757  -1.494
  170   HH22  ARG  21          HH22      ARG  21  -6.038  12.021  -0.989
  171    H    HIS  22           HN       HIS  22  -2.407   3.012  -1.029
  172    HA   HIS  22           HA       HIS  22  -3.610   1.174  -2.859
  173    HB2  HIS  22           HB2      HIS  22  -1.141   1.458  -2.355
  174    HB3  HIS  22           HB1      HIS  22  -1.426   0.528  -0.899
  175    HD1  HIS  22           HD1      HIS  22  -2.011   0.086  -4.663
  176    HD2  HIS  22           HD2      HIS  22  -1.122  -2.060  -1.216
  177    HE1  HIS  22           HE1      HIS  22  -1.673  -2.314  -5.387
  178    H    VAL  23           HN       VAL  23  -3.195   1.230   0.659
  179    HA   VAL  23           HA       VAL  23  -4.165  -1.381   0.961
  180    HB   VAL  23           HB       VAL  23  -3.955   0.837   3.005
  181   HG11  VAL  23          HG11      VAL  23  -4.203  -0.919   4.709
  182   HG12  VAL  23          HG12      VAL  23  -4.542  -2.095   3.439
  183   HG13  VAL  23          HG13      VAL  23  -5.656  -0.758   3.723
  184   HG21  VAL  23          HG21      VAL  23  -2.239  -1.588   2.471
  185   HG22  VAL  23          HG22      VAL  23  -1.989  -0.416   3.762
  186   HG23  VAL  23          HG23      VAL  23  -1.828   0.081   2.077
  187    H    ARG  24           HN       ARG  24  -5.677   1.780   0.936
  188    HA   ARG  24           HA       ARG  24  -8.266   1.027   1.705
  189    HB2  ARG  24           HB2      ARG  24  -7.406   3.199  -0.212
  190    HB3  ARG  24           HB1      ARG  24  -9.003   3.059   0.510
  191    HG2  ARG  24           HG2      ARG  24  -8.006   3.305   2.732
  192    HG3  ARG  24           HG1      ARG  24  -6.421   3.479   1.991
  193    HD2  ARG  24           HD2      ARG  24  -7.399   5.648   2.588
  194    HD3  ARG  24           HD1      ARG  24  -7.128   5.492   0.854
  195    HE   ARG  24           HE       ARG  24  -9.621   4.867   0.827
  196   HH11  ARG  24          HH11      ARG  24  -8.184   7.128   3.092
  197   HH12  ARG  24          HH12      ARG  24  -9.621   8.096   3.225
  198   HH21  ARG  24          HH21      ARG  24 -11.510   6.110   1.032
  199   HH22  ARG  24          HH22      ARG  24 -11.517   7.502   2.072
  200    H    ILE  25           HN       ILE  25  -6.550   0.671  -1.325
  201    HA   ILE  25           HA       ILE  25  -8.731   0.017  -2.976
  202    HB   ILE  25           HB       ILE  25  -5.821  -0.768  -3.104
  203   HG12  ILE  25          HG12      ILE  25  -6.176   1.580  -3.436
  204   HG13  ILE  25          HG11      ILE  25  -5.789   0.856  -4.983
  205   HG21  ILE  25          HG21      ILE  25  -7.028  -2.462  -4.270
  206   HG22  ILE  25          HG22      ILE  25  -6.250  -1.395  -5.439
  207   HG23  ILE  25          HG23      ILE  25  -7.978  -1.249  -5.128
  208   HD11  ILE  25          HD11      ILE  25  -8.543   1.608  -4.031
  209   HD12  ILE  25          HD12      ILE  25  -8.146   0.895  -5.595
  210   HD13  ILE  25          HD13      ILE  25  -7.561   2.510  -5.187
  211    H    HIS  26           HN       HIS  26  -6.566  -2.011  -1.005
  212    HA   HIS  26           HA       HIS  26  -7.821  -4.468  -1.638
  213    HB2  HIS  26           HB2      HIS  26  -6.084  -3.598   0.655
  214    HB3  HIS  26           HB1      HIS  26  -6.792  -5.204   0.609
  215    HD1  HIS  26           HD1      HIS  26  -6.277  -5.947  -2.364
  216    HD2  HIS  26           HD2      HIS  26  -3.512  -4.099   0.140
  217    HE1  HIS  26           HE1      HIS  26  -3.967  -6.493  -3.302
  218    H    THR  27           HN       THR  27  -8.567  -1.929   0.596
  219    HA   THR  27           HA       THR  27 -10.523  -3.593   1.977
  220    HB   THR  27           HB       THR  27 -10.109  -0.669   2.537
  221    HG1  THR  27           HG1      THR  27  -8.026  -1.788   2.521
  222   HG21  THR  27          HG21      THR  27 -10.727  -1.361   4.805
  223   HG22  THR  27          HG22      THR  27 -10.812  -3.041   4.275
  224   HG23  THR  27          HG23      THR  27 -11.960  -1.860   3.645
  225    H    GLY  28           HN       GLY  28 -10.712  -2.692  -0.874
  226    HA2  GLY  28           HA2      GLY  28 -12.985  -0.939  -0.984
  227    HA3  GLY  28           HA1      GLY  28 -12.335  -1.899  -2.310
  228    H    GLU  29           HN       GLU  29 -13.977  -2.369   0.796
  229    HA   GLU  29           HA       GLU  29 -15.098  -4.879   0.014
  230    HB2  GLU  29           HB2      GLU  29 -15.698  -3.074   2.364
  231    HB3  GLU  29           HB1      GLU  29 -16.328  -4.702   2.172
  232    HG2  GLU  29           HG2      GLU  29 -14.027  -5.568   2.168
  233    HG3  GLU  29           HG1      GLU  29 -13.434  -3.931   2.442
  234    H    LYS  30           HN       LYS  30 -15.914  -1.716  -0.668
  235    HA   LYS  30           HA       LYS  30 -18.653  -2.519  -1.375
  236    HB2  LYS  30           HB2      LYS  30 -18.493  -0.612   0.229
  237    HB3  LYS  30           HB1      LYS  30 -17.584   0.287  -0.979
  238    HG2  LYS  30           HG2      LYS  30 -19.517   0.197  -2.483
  239    HG3  LYS  30           HG1      LYS  30 -20.427  -0.673  -1.248
  240    HD2  LYS  30           HD2      LYS  30 -19.291   2.111  -0.985
  241    HD3  LYS  30           HD1      LYS  30 -20.987   1.705  -1.252
  242    HE2  LYS  30           HE2      LYS  30 -19.344   0.916   1.154
  243    HE3  LYS  30           HE1      LYS  30 -20.516   2.232   1.102
  244    HZ1  LYS  30           HZ1      LYS  30 -21.394   0.173   2.093
  245    HZ2  LYS  30           HZ2      LYS  30 -21.177  -0.627   0.614
  246    HZ3  LYS  30           HZ3      LYS  30 -22.273   0.662   0.729
  Start of MODEL   13
    1    H1   MET   1           HT1      MET   1  14.151  -5.639   0.426
    2    H2   MET   1           HT2      MET   1  14.133  -5.587  -1.270
    3    H3   MET   1           HT3      MET   1  12.933  -6.442  -0.436
    4    HA   MET   1           HA       MET   1  12.133  -4.325  -1.288
    5    HB2  MET   1           HB2      MET   1  11.107  -3.539   0.791
    6    HB3  MET   1           HB1      MET   1  11.089  -5.292   0.700
    7    HG2  MET   1           HG2      MET   1  11.686  -4.934   2.881
    8    HG3  MET   1           HG1      MET   1  13.254  -5.142   2.108
    9    HE1  MET   1           HE1      MET   1  14.506  -4.047   4.156
   10    HE2  MET   1           HE2      MET   1  12.956  -3.883   4.983
   11    HE3  MET   1           HE3      MET   1  14.048  -2.501   4.874
   12    H    LYS   2           HN       LYS   2  12.059  -1.990  -0.873
   13    HA   LYS   2           HA       LYS   2  14.339  -0.728   0.341
   14    HB2  LYS   2           HB2      LYS   2  15.246  -1.353  -1.884
   15    HB3  LYS   2           HB1      LYS   2  13.944  -0.451  -2.650
   16    HG2  LYS   2           HG2      LYS   2  15.925   0.878  -2.685
   17    HG3  LYS   2           HG1      LYS   2  14.785   1.602  -1.550
   18    HD2  LYS   2           HD2      LYS   2  15.999   0.492   0.304
   19    HD3  LYS   2           HD1      LYS   2  17.174  -0.113  -0.865
   20    HE2  LYS   2           HE2      LYS   2  18.059   1.863   0.185
   21    HE3  LYS   2           HE1      LYS   2  17.681   2.231  -1.497
   22    HZ1  LYS   2           HZ1      LYS   2  15.996   2.907   0.854
   23    HZ2  LYS   2           HZ2      LYS   2  15.613   3.257  -0.764
   24    HZ3  LYS   2           HZ3      LYS   2  16.950   3.997  -0.028
   25    HA   PRO   3           HA       PRO   3  10.918   2.419  -0.713
   26    HB2  PRO   3           HB2      PRO   3   9.002   1.897  -2.491
   27    HB3  PRO   3           HB1      PRO   3  10.610   2.418  -3.023
   28    HG2  PRO   3           HG2      PRO   3   9.428  -0.327  -2.969
   29    HG3  PRO   3           HG1      PRO   3  10.427   0.438  -4.217
   30    HD2  PRO   3           HD2      PRO   3  11.377  -1.307  -2.296
   31    HD3  PRO   3           HD1      PRO   3  12.371  -0.123  -3.164
   32    H    TYR   4           HN       TYR   4   8.314   2.474  -0.550
   33    HA   TYR   4           HA       TYR   4   7.688   0.722   1.641
   34    HB2  TYR   4           HB2      TYR   4   6.020   2.848   0.241
   35    HB3  TYR   4           HB1      TYR   4   5.499   1.933   1.663
   36    HD1  TYR   4           HD1      TYR   4   8.068   4.327   0.466
   37    HD2  TYR   4           HD2      TYR   4   6.160   2.556   3.826
   38    HE1  TYR   4           HE1      TYR   4   9.196   5.936   1.943
   39    HE2  TYR   4           HE2      TYR   4   7.282   4.159   5.315
   40    HH   TYR   4           HH       TYR   4   8.879   6.928   4.171
   41    H    VAL   5           HN       VAL   5   6.716  -1.186   1.493
   42    HA   VAL   5           HA       VAL   5   5.606  -1.920  -1.119
   43    HB   VAL   5           HB       VAL   5   6.291  -4.176  -0.710
   44   HG11  VAL   5          HG11      VAL   5   8.533  -2.260  -0.102
   45   HG12  VAL   5          HG12      VAL   5   7.946  -2.711  -1.702
   46   HG13  VAL   5          HG13      VAL   5   8.732  -3.915  -0.680
   47   HG21  VAL   5          HG21      VAL   5   5.937  -4.265   1.712
   48   HG22  VAL   5          HG22      VAL   5   7.357  -3.246   1.956
   49   HG23  VAL   5          HG23      VAL   5   7.539  -4.863   1.276
   50    H    CYS   6           HN       CYS   6   3.732  -3.120  -1.211
   51    HA   CYS   6           HA       CYS   6   1.849  -2.723   0.862
   52    HB2  CYS   6           HB2      CYS   6   1.175  -2.899  -1.485
   53    HB3  CYS   6           HB1      CYS   6   1.722  -4.568  -1.523
   54    H    ILE   7           HN       ILE   7   1.382  -3.889   2.546
   55    HA   ILE   7           HA       ILE   7   2.994  -6.107   3.288
   56    HB   ILE   7           HB       ILE   7   0.591  -4.779   4.573
   57   HG12  ILE   7          HG12      ILE   7   2.391  -4.088   6.255
   58   HG13  ILE   7          HG11      ILE   7   3.568  -4.622   5.059
   59   HG21  ILE   7          HG21      ILE   7   0.629  -7.070   5.294
   60   HG22  ILE   7          HG22      ILE   7   1.170  -6.032   6.614
   61   HG23  ILE   7          HG23      ILE   7   2.345  -6.960   5.681
   62   HD11  ILE   7          HD11      ILE   7   1.504  -2.468   4.667
   63   HD12  ILE   7          HD12      ILE   7   2.682  -2.999   3.466
   64   HD13  ILE   7          HD13      ILE   7   3.227  -2.222   4.955
   65    H    HIS   8           HN       HIS   8  -0.079  -5.659   1.779
   66    HA   HIS   8           HA       HIS   8  -1.075  -8.258   2.582
   67    HB2  HIS   8           HB2      HIS   8  -2.440  -6.070   2.295
   68    HB3  HIS   8           HB1      HIS   8  -2.425  -6.479   0.578
   69    HD1  HIS   8           HD1      HIS   8  -4.140  -7.193   3.719
   70    HD2  HIS   8           HD2      HIS   8  -3.732  -9.028   0.009
   71    HE1  HIS   8           HE1      HIS   8  -6.002  -8.881   3.587
   72    HE2  HIS   8           HE2      HIS   8  -5.799  -9.911   1.289
   73    H    CYS   9           HN       CYS   9   0.001  -6.719  -0.484
   74    HA   CYS   9           HA       CYS   9  -0.185  -9.403  -1.650
   75    HB2  CYS   9           HB2      CYS   9  -0.927  -8.500  -3.701
   76    HB3  CYS   9           HB1      CYS   9  -1.930  -7.802  -2.444
   77    H    GLN  10           HN       GLN  10   1.947  -7.094  -0.744
   78    HA   GLN  10           HA       GLN  10   4.197  -6.973  -0.911
   79    HB2  GLN  10           HB2      GLN  10   3.898  -9.481  -2.569
   80    HB3  GLN  10           HB1      GLN  10   5.430  -8.839  -1.975
   81    HG2  GLN  10           HG2      GLN  10   4.774  -9.198   0.296
   82    HG3  GLN  10           HG1      GLN  10   3.139  -9.640  -0.195
   83   HE21  GLN  10          HE21      GLN  10   6.461 -10.651  -0.029
   84   HE22  GLN  10          HE22      GLN  10   6.170 -12.337  -0.360
   85    H    ARG  11           HN       ARG  11   3.027  -5.192  -2.464
   86    HA   ARG  11           HA       ARG  11   4.547  -5.234  -4.967
   87    HB2  ARG  11           HB2      ARG  11   1.964  -3.826  -4.267
   88    HB3  ARG  11           HB1      ARG  11   2.853  -3.568  -5.758
   89    HG2  ARG  11           HG2      ARG  11   1.734  -6.222  -4.885
   90    HG3  ARG  11           HG1      ARG  11   0.907  -5.103  -5.966
   91    HD2  ARG  11           HD2      ARG  11   1.942  -6.723  -7.342
   92    HD3  ARG  11           HD1      ARG  11   2.914  -5.261  -7.483
   93    HE   ARG  11           HE       ARG  11   4.233  -6.572  -5.570
   94   HH11  ARG  11          HH11      ARG  11   2.902  -7.756  -8.580
   95   HH12  ARG  11          HH12      ARG  11   4.171  -8.913  -8.831
   96   HH21  ARG  11          HH21      ARG  11   5.888  -8.106  -5.870
   97   HH22  ARG  11          HH22      ARG  11   5.871  -9.133  -7.272
   98    H    GLN  12           HN       GLN  12   5.939  -3.514  -5.345
   99    HA   GLN  12           HA       GLN  12   6.525  -1.934  -2.962
  100    HB2  GLN  12           HB2      GLN  12   8.142  -2.159  -5.497
  101    HB3  GLN  12           HB1      GLN  12   8.680  -1.571  -3.936
  102    HG2  GLN  12           HG2      GLN  12   8.113  -3.927  -3.084
  103    HG3  GLN  12           HG1      GLN  12   8.122  -4.374  -4.790
  104   HE21  GLN  12          HE21      GLN  12  10.074  -4.222  -5.962
  105   HE22  GLN  12          HE22      GLN  12  11.613  -4.140  -5.152
  106    H    PHE  13           HN       PHE  13   6.239   0.219  -2.824
  107    HA   PHE  13           HA       PHE  13   5.820   1.746  -5.302
  108    HB2  PHE  13           HB2      PHE  13   3.972   1.641  -2.925
  109    HB3  PHE  13           HB1      PHE  13   4.034   3.062  -3.973
  110    HD1  PHE  13           HD2      PHE  13   3.174  -0.509  -3.801
  111    HD2  PHE  13           HD1      PHE  13   3.141   3.020  -6.176
  112    HE1  PHE  13           HE2      PHE  13   1.648  -1.596  -5.398
  113    HE2  PHE  13           HE1      PHE  13   1.614   1.944  -7.772
  114    HZ   PHE  13           HZ       PHE  13   0.865  -0.371  -7.385
  115    H    ALA  14           HN       ALA  14   6.264   3.924  -5.181
  116    HA   ALA  14           HA       ALA  14   8.716   4.424  -3.927
  117    HB1  ALA  14           HB1      ALA  14   7.860   5.385  -6.086
  118    HB2  ALA  14           HB2      ALA  14   8.672   6.521  -5.008
  119    HB3  ALA  14           HB3      ALA  14   6.910   6.510  -5.107
  120    H    ASP  15           HN       ASP  15   5.462   5.340  -2.992
  121    HA   ASP  15           HA       ASP  15   6.591   6.958  -0.814
  122    HB2  ASP  15           HB2      ASP  15   4.273   7.697  -2.613
  123    HB3  ASP  15           HB1      ASP  15   4.726   8.566  -1.163
  124    HA   PRO  16           HA       PRO  16   3.903   4.634   1.808
  125    HB2  PRO  16           HB2      PRO  16   3.621   6.466   3.823
  126    HB3  PRO  16           HB1      PRO  16   5.051   5.446   3.620
  127    HG2  PRO  16           HG2      PRO  16   4.620   8.293   2.819
  128    HG3  PRO  16           HG1      PRO  16   6.053   7.533   3.536
  129    HD2  PRO  16           HD2      PRO  16   5.887   8.094   0.898
  130    HD3  PRO  16           HD1      PRO  16   6.768   6.678   1.511
  131    H    GLY  17           HN       GLY  17   3.157   7.897   0.783
  132    HA2  GLY  17           HA2      GLY  17   0.451   8.019   1.485
  133    HA3  GLY  17           HA1      GLY  17   1.179   8.830   0.101
  134    H    ALA  18           HN       ALA  18   2.032   6.629  -1.360
  135    HA   ALA  18           HA       ALA  18  -0.390   5.848  -2.618
  136    HB1  ALA  18           HB1      ALA  18   2.406   4.830  -3.043
  137    HB2  ALA  18           HB2      ALA  18   1.607   6.119  -3.944
  138    HB3  ALA  18           HB3      ALA  18   1.014   4.460  -4.058
  139    H    LEU  19           HN       LEU  19   1.568   4.461  -0.111
  140    HA   LEU  19           HA       LEU  19   0.458   1.843  -0.357
  141    HB2  LEU  19           HB2      LEU  19   2.270   3.237   1.510
  142    HB3  LEU  19           HB1      LEU  19   1.278   1.973   2.232
  143    HG   LEU  19           HG       LEU  19   3.469   1.115   1.553
  144   HD11  LEU  19          HD11      LEU  19   2.692  -0.796   0.255
  145   HD12  LEU  19          HD12      LEU  19   1.214   0.075  -0.156
  146   HD13  LEU  19          HD13      LEU  19   1.537  -0.377   1.518
  147   HD21  LEU  19          HD21      LEU  19   3.858   2.670  -0.315
  148   HD22  LEU  19          HD22      LEU  19   2.628   1.822  -1.254
  149   HD23  LEU  19          HD23      LEU  19   4.109   0.985  -0.774
  150    H    GLN  20           HN       GLN  20  -0.372   4.837   1.136
  151    HA   GLN  20           HA       GLN  20  -2.384   3.724   2.755
  152    HB2  GLN  20           HB2      GLN  20  -2.106   6.566   1.804
  153    HB3  GLN  20           HB1      GLN  20  -3.170   6.030   3.096
  154    HG2  GLN  20           HG2      GLN  20  -1.269   5.409   4.452
  155    HG3  GLN  20           HG1      GLN  20  -0.168   5.834   3.141
  156   HE21  GLN  20          HE21      GLN  20   0.897   7.372   4.372
  157   HE22  GLN  20          HE22      GLN  20   0.182   8.901   4.771
  158    H    ARG  21           HN       ARG  21  -2.263   5.278  -0.298
  159    HA   ARG  21           HA       ARG  21  -4.961   5.033  -1.062
  160    HB2  ARG  21           HB2      ARG  21  -2.361   5.355  -2.461
  161    HB3  ARG  21           HB1      ARG  21  -3.689   4.725  -3.414
  162    HG2  ARG  21           HG2      ARG  21  -3.698   7.030  -3.789
  163    HG3  ARG  21           HG1      ARG  21  -5.008   6.755  -2.643
  164    HD2  ARG  21           HD2      ARG  21  -2.280   7.461  -1.648
  165    HD3  ARG  21           HD1      ARG  21  -3.332   8.721  -2.285
  166    HE   ARG  21           HE       ARG  21  -4.815   7.285  -0.425
  167   HH11  ARG  21          HH11      ARG  21  -1.950   9.288  -0.493
  168   HH12  ARG  21          HH12      ARG  21  -2.174   9.905   1.119
  169   HH21  ARG  21          HH21      ARG  21  -5.147   8.114   1.707
  170   HH22  ARG  21          HH22      ARG  21  -4.000   9.249   2.362
  171    H    HIS  22           HN       HIS  22  -2.240   2.889  -1.059
  172    HA   HIS  22           HA       HIS  22  -3.267   0.866  -2.756
  173    HB2  HIS  22           HB2      HIS  22  -0.864   1.294  -1.883
  174    HB3  HIS  22           HB1      HIS  22  -1.359   0.314  -0.512
  175    HD1  HIS  22           HD1      HIS  22  -0.588   0.073  -4.188
  176    HD2  HIS  22           HD2      HIS  22  -1.634  -2.356  -0.985
  177    HE1  HIS  22           HE1      HIS  22  -0.197  -2.314  -4.943
  178    H    VAL  23           HN       VAL  23  -3.172   1.183   0.779
  179    HA   VAL  23           HA       VAL  23  -4.164  -1.410   1.161
  180    HB   VAL  23           HB       VAL  23  -4.110   0.881   3.132
  181   HG11  VAL  23          HG11      VAL  23  -4.606  -2.060   3.583
  182   HG12  VAL  23          HG12      VAL  23  -5.768  -0.752   3.813
  183   HG13  VAL  23          HG13      VAL  23  -4.350  -0.866   4.855
  184   HG21  VAL  23          HG21      VAL  23  -2.256  -1.474   2.754
  185   HG22  VAL  23          HG22      VAL  23  -2.128  -0.254   4.023
  186   HG23  VAL  23          HG23      VAL  23  -1.901   0.203   2.335
  187    H    ARG  24           HN       ARG  24  -5.745   1.750   0.946
  188    HA   ARG  24           HA       ARG  24  -8.335   0.750   1.619
  189    HB2  ARG  24           HB2      ARG  24  -9.203   2.870   0.615
  190    HB3  ARG  24           HB1      ARG  24  -8.021   3.098   1.892
  191    HG2  ARG  24           HG2      ARG  24  -6.445   3.945   0.474
  192    HG3  ARG  24           HG1      ARG  24  -7.076   3.073  -0.924
  193    HD2  ARG  24           HD2      ARG  24  -7.407   5.646  -0.761
  194    HD3  ARG  24           HD1      ARG  24  -8.734   4.632  -1.317
  195    HE   ARG  24           HE       ARG  24  -9.286   4.781   1.275
  196   HH11  ARG  24          HH11      ARG  24  -8.270   7.346  -0.903
  197   HH12  ARG  24          HH12      ARG  24  -9.240   8.555  -0.116
  198   HH21  ARG  24          HH21      ARG  24 -10.522   6.371   2.305
  199   HH22  ARG  24          HH22      ARG  24 -10.523   8.007   1.703
  200    H    ILE  25           HN       ILE  25  -6.407   0.372  -1.127
  201    HA   ILE  25           HA       ILE  25  -8.536  -0.014  -2.997
  202    HB   ILE  25           HB       ILE  25  -5.636  -0.838  -3.002
  203   HG12  ILE  25          HG12      ILE  25  -5.999   1.504  -3.375
  204   HG13  ILE  25          HG11      ILE  25  -5.513   0.763  -4.887
  205   HG21  ILE  25          HG21      ILE  25  -6.818  -2.549  -4.198
  206   HG22  ILE  25          HG22      ILE  25  -5.936  -1.523  -5.327
  207   HG23  ILE  25          HG23      ILE  25  -7.678  -1.332  -5.141
  208   HD11  ILE  25          HD11      ILE  25  -7.274   2.378  -5.250
  209   HD12  ILE  25          HD12      ILE  25  -8.314   1.535  -4.104
  210   HD13  ILE  25          HD13      ILE  25  -7.850   0.753  -5.615
  211    H    HIS  26           HN       HIS  26  -6.582  -2.117  -0.900
  212    HA   HIS  26           HA       HIS  26  -7.910  -4.527  -1.665
  213    HB2  HIS  26           HB2      HIS  26  -6.255  -3.805   0.749
  214    HB3  HIS  26           HB1      HIS  26  -6.990  -5.386   0.559
  215    HD1  HIS  26           HD1      HIS  26  -6.314  -6.141  -2.294
  216    HD2  HIS  26           HD2      HIS  26  -3.679  -4.148   0.248
  217    HE1  HIS  26           HE1      HIS  26  -3.967  -6.660  -3.130
  218    H    THR  27           HN       THR  27  -8.181  -2.397   1.161
  219    HA   THR  27           HA       THR  27 -10.605  -3.794   1.974
  220    HB   THR  27           HB       THR  27  -8.805  -3.266   3.647
  221    HG1  THR  27           HG1      THR  27 -10.974  -1.875   4.661
  222   HG21  THR  27          HG21      THR  27  -9.809  -0.431   3.402
  223   HG22  THR  27          HG22      THR  27  -8.233  -1.003   2.842
  224   HG23  THR  27          HG23      THR  27  -8.622  -1.031   4.562
  225    H    GLY  28           HN       GLY  28 -11.159  -2.735  -0.303
  226    HA2  GLY  28           HA2      GLY  28 -11.890   0.005  -0.378
  227    HA3  GLY  28           HA1      GLY  28 -12.391  -1.232  -1.519
  228    H    GLU  29           HN       GLU  29 -12.968  -0.703   1.931
  229    HA   GLU  29           HA       GLU  29 -15.732  -1.364   1.792
  230    HB2  GLU  29           HB2      GLU  29 -14.008  -0.082   3.910
  231    HB3  GLU  29           HB1      GLU  29 -15.666  -0.581   4.163
  232    HG2  GLU  29           HG2      GLU  29 -13.324  -2.341   3.518
  233    HG3  GLU  29           HG1      GLU  29 -14.211  -2.253   5.037
  234    H    LYS  30           HN       LYS  30 -13.789   1.505   1.702
  235    HA   LYS  30           HA       LYS  30 -16.080   3.065   0.843
  236    HB2  LYS  30           HB2      LYS  30 -15.929   3.511   3.258
  237    HB3  LYS  30           HB1      LYS  30 -14.236   3.954   3.075
  238    HG2  LYS  30           HG2      LYS  30 -15.606   5.935   3.240
  239    HG3  LYS  30           HG1      LYS  30 -14.890   5.826   1.632
  240    HD2  LYS  30           HD2      LYS  30 -17.021   4.850   0.809
  241    HD3  LYS  30           HD1      LYS  30 -17.721   5.119   2.406
  242    HE2  LYS  30           HE2      LYS  30 -16.668   7.219   0.515
  243    HE3  LYS  30           HE1      LYS  30 -18.356   6.915   0.915
  244    HZ1  LYS  30           HZ1      LYS  30 -17.752   7.469   3.263
  245    HZ2  LYS  30           HZ2      LYS  30 -17.656   8.766   2.176
  246    HZ3  LYS  30           HZ3      LYS  30 -16.240   7.995   2.693
  Start of MODEL   14
    1    H1   MET   1           HT1      MET   1  14.742  -2.948   2.648
    2    H2   MET   1           HT2      MET   1  14.506  -1.483   3.464
    3    H3   MET   1           HT3      MET   1  15.656  -1.583   2.223
    4    HA   MET   1           HA       MET   1  13.949  -1.962   0.597
    5    HB2  MET   1           HB2      MET   1  12.156  -1.772   3.018
    6    HB3  MET   1           HB1      MET   1  11.558  -1.547   1.380
    7    HG2  MET   1           HG2      MET   1  12.937  -4.023   2.381
    8    HG3  MET   1           HG1      MET   1  11.191  -3.818   2.251
    9    HE1  MET   1           HE1      MET   1  12.911  -6.206   0.900
   10    HE2  MET   1           HE2      MET   1  12.092  -6.321  -0.659
   11    HE3  MET   1           HE3      MET   1  11.152  -6.084   0.814
   12    H    LYS   2           HN       LYS   2  14.381  -0.156  -0.461
   13    HA   LYS   2           HA       LYS   2  14.409   2.423   0.737
   14    HB2  LYS   2           HB2      LYS   2  15.787   2.034  -1.203
   15    HB3  LYS   2           HB1      LYS   2  14.385   1.588  -2.169
   16    HG2  LYS   2           HG2      LYS   2  13.525   3.879  -1.948
   17    HG3  LYS   2           HG1      LYS   2  14.965   4.315  -1.028
   18    HD2  LYS   2           HD2      LYS   2  16.360   3.744  -2.963
   19    HD3  LYS   2           HD1      LYS   2  14.909   3.329  -3.877
   20    HE2  LYS   2           HE2      LYS   2  15.685   5.571  -4.442
   21    HE3  LYS   2           HE1      LYS   2  14.106   5.624  -3.659
   22    HZ1  LYS   2           HZ1      LYS   2  16.707   6.152  -2.318
   23    HZ2  LYS   2           HZ2      LYS   2  15.179   6.241  -1.587
   24    HZ3  LYS   2           HZ3      LYS   2  15.597   7.335  -2.812
   25    HA   PRO   3           HA       PRO   3  10.154   3.140  -1.269
   26    HB2  PRO   3           HB2      PRO   3   8.891   1.231  -2.650
   27    HB3  PRO   3           HB1      PRO   3  10.162   2.217  -3.401
   28    HG2  PRO   3           HG2      PRO   3  10.316  -0.563  -2.299
   29    HG3  PRO   3           HG1      PRO   3  11.011   0.091  -3.793
   30    HD2  PRO   3           HD2      PRO   3  12.419  -0.253  -1.464
   31    HD3  PRO   3           HD1      PRO   3  12.840   0.935  -2.712
   32    H    TYR   4           HN       TYR   4   7.834   2.382  -0.942
   33    HA   TYR   4           HA       TYR   4   7.723   0.883   1.571
   34    HB2  TYR   4           HB2      TYR   4   5.842   2.882   0.288
   35    HB3  TYR   4           HB1      TYR   4   5.421   1.940   1.726
   36    HD1  TYR   4           HD1      TYR   4   7.935   4.366   0.424
   37    HD2  TYR   4           HD2      TYR   4   6.040   2.687   3.847
   38    HE1  TYR   4           HE1      TYR   4   9.053   6.027   1.854
   39    HE2  TYR   4           HE2      TYR   4   7.150   4.343   5.282
   40    HH   TYR   4           HH       TYR   4   8.753   7.075   4.052
   41    H    VAL   5           HN       VAL   5   6.833  -1.082   1.591
   42    HA   VAL   5           HA       VAL   5   5.781  -2.042  -0.958
   43    HB   VAL   5           HB       VAL   5   6.452  -4.246  -0.306
   44   HG11  VAL   5          HG11      VAL   5   8.862  -3.954  -0.259
   45   HG12  VAL   5          HG12      VAL   5   8.664  -2.284   0.268
   46   HG13  VAL   5          HG13      VAL   5   8.118  -2.770  -1.335
   47   HG21  VAL   5          HG21      VAL   5   7.686  -4.660   1.797
   48   HG22  VAL   5          HG22      VAL   5   6.008  -4.189   2.070
   49   HG23  VAL   5          HG23      VAL   5   7.303  -3.018   2.312
   50    H    CYS   6           HN       CYS   6   3.961  -3.278  -1.102
   51    HA   CYS   6           HA       CYS   6   1.921  -2.785   0.834
   52    HB2  CYS   6           HB2      CYS   6   1.525  -2.991  -1.635
   53    HB3  CYS   6           HB1      CYS   6   1.847  -4.715  -1.489
   54    H    ILE   7           HN       ILE   7   1.248  -4.026   2.444
   55    HA   ILE   7           HA       ILE   7   2.823  -6.287   3.208
   56    HB   ILE   7           HB       ILE   7   0.393  -5.010   4.496
   57   HG12  ILE   7          HG12      ILE   7   2.203  -4.229   6.166
   58   HG13  ILE   7          HG11      ILE   7   3.357  -4.614   4.896
   59   HG21  ILE   7          HG21      ILE   7   1.049  -6.212   6.516
   60   HG22  ILE   7          HG22      ILE   7   2.330  -7.017   5.611
   61   HG23  ILE   7          HG23      ILE   7   0.643  -7.303   5.193
   62   HD11  ILE   7          HD11      ILE   7   2.348  -2.985   3.432
   63   HD12  ILE   7          HD12      ILE   7   2.750  -2.230   4.976
   64   HD13  ILE   7          HD13      ILE   7   1.081  -2.663   4.615
   65    H    HIS   8           HN       HIS   8  -0.100  -5.721   1.514
   66    HA   HIS   8           HA       HIS   8  -1.279  -8.262   2.283
   67    HB2  HIS   8           HB2      HIS   8  -2.562  -6.050   2.007
   68    HB3  HIS   8           HB1      HIS   8  -2.435  -6.350   0.272
   69    HD1  HIS   8           HD1      HIS   8  -4.529  -7.050   3.148
   70    HD2  HIS   8           HD2      HIS   8  -3.713  -8.917  -0.483
   71    HE1  HIS   8           HE1      HIS   8  -6.422  -8.656   2.767
   72    HE2  HIS   8           HE2      HIS   8  -5.829  -9.886   0.650
   73    H    CYS   9           HN       CYS   9  -0.047  -6.721  -0.718
   74    HA   CYS   9           HA       CYS   9  -0.378  -9.350  -1.976
   75    HB2  CYS   9           HB2      CYS   9  -0.761  -8.262  -4.065
   76    HB3  CYS   9           HB1      CYS   9  -1.813  -7.522  -2.870
   77    H    GLN  10           HN       GLN  10   1.910  -7.256  -0.828
   78    HA   GLN  10           HA       GLN  10   4.168  -7.304  -0.803
   79    HB2  GLN  10           HB2      GLN  10   3.839  -9.802  -2.472
   80    HB3  GLN  10           HB1      GLN  10   5.362  -9.248  -1.773
   81    HG2  GLN  10           HG2      GLN  10   4.381  -9.469   0.473
   82    HG3  GLN  10           HG1      GLN  10   2.896 -10.082  -0.254
   83   HE21  GLN  10          HE21      GLN  10   4.400 -11.518  -2.331
   84   HE22  GLN  10          HE22      GLN  10   5.069 -12.922  -1.552
   85    H    ARG  11           HN       ARG  11   3.393  -5.406  -2.353
   86    HA   ARG  11           HA       ARG  11   5.101  -5.574  -4.719
   87    HB2  ARG  11           HB2      ARG  11   2.332  -4.424  -4.441
   88    HB3  ARG  11           HB1      ARG  11   3.425  -3.919  -5.730
   89    HG2  ARG  11           HG2      ARG  11   3.528  -6.178  -6.580
   90    HG3  ARG  11           HG1      ARG  11   2.547  -6.756  -5.234
   91    HD2  ARG  11           HD2      ARG  11   1.200  -6.526  -7.244
   92    HD3  ARG  11           HD1      ARG  11   0.677  -5.388  -6.005
   93    HE   ARG  11           HE       ARG  11   2.436  -3.952  -7.525
   94   HH11  ARG  11          HH11      ARG  11  -0.454  -5.816  -8.225
   95   HH12  ARG  11          HH12      ARG  11  -0.917  -4.820  -9.573
   96   HH21  ARG  11          HH21      ARG  11   1.827  -2.651  -9.292
   97   HH22  ARG  11          HH22      ARG  11   0.386  -3.029 -10.191
   98    H    GLN  12           HN       GLN  12   6.309  -3.730  -5.175
   99    HA   GLN  12           HA       GLN  12   6.765  -2.071  -2.827
  100    HB2  GLN  12           HB2      GLN  12   8.411  -2.340  -5.349
  101    HB3  GLN  12           HB1      GLN  12   8.905  -1.576  -3.850
  102    HG2  GLN  12           HG2      GLN  12   8.811  -3.716  -2.705
  103    HG3  GLN  12           HG1      GLN  12   8.270  -4.492  -4.191
  104   HE21  GLN  12          HE21      GLN  12   9.997  -5.876  -4.277
  105   HE22  GLN  12          HE22      GLN  12  11.612  -5.341  -4.675
  106    H    PHE  13           HN       PHE  13   6.133  -0.008  -2.704
  107    HA   PHE  13           HA       PHE  13   5.688   1.474  -5.216
  108    HB2  PHE  13           HB2      PHE  13   3.943   1.510  -2.741
  109    HB3  PHE  13           HB1      PHE  13   3.813   2.672  -4.068
  110    HD1  PHE  13           HD2      PHE  13   3.342  -0.815  -3.081
  111    HD2  PHE  13           HD1      PHE  13   2.888   2.049  -6.190
  112    HE1  PHE  13           HE2      PHE  13   1.850  -2.360  -4.276
  113    HE2  PHE  13           HE1      PHE  13   1.390   0.513  -7.388
  114    HZ   PHE  13           HZ       PHE  13   0.994  -1.726  -6.540
  115    H    ALA  14           HN       ALA  14   6.210   3.559  -5.287
  116    HA   ALA  14           HA       ALA  14   8.550   4.302  -3.981
  117    HB1  ALA  14           HB1      ALA  14   8.450   6.284  -5.242
  118    HB2  ALA  14           HB2      ALA  14   6.689   6.225  -5.332
  119    HB3  ALA  14           HB3      ALA  14   7.661   5.053  -6.235
  120    H    ASP  15           HN       ASP  15   5.232   5.088  -3.185
  121    HA   ASP  15           HA       ASP  15   6.189   7.278  -1.464
  122    HB2  ASP  15           HB2      ASP  15   3.515   7.056  -2.854
  123    HB3  ASP  15           HB1      ASP  15   4.084   8.414  -1.900
  124    HA   PRO  16           HA       PRO  16   4.185   5.222   1.953
  125    HB2  PRO  16           HB2      PRO  16   3.997   7.871   3.188
  126    HB3  PRO  16           HB1      PRO  16   4.932   6.468   3.706
  127    HG2  PRO  16           HG2      PRO  16   6.077   8.711   2.696
  128    HG3  PRO  16           HG1      PRO  16   6.786   7.098   2.517
  129    HD2  PRO  16           HD2      PRO  16   5.269   8.737   0.538
  130    HD3  PRO  16           HD1      PRO  16   6.657   7.652   0.286
  131    H    GLY  17           HN       GLY  17   3.068   8.229   0.525
  132    HA2  GLY  17           HA2      GLY  17   0.423   8.199   1.518
  133    HA3  GLY  17           HA1      GLY  17   0.983   9.055   0.086
  134    H    ALA  18           HN       ALA  18   1.941   6.767  -1.313
  135    HA   ALA  18           HA       ALA  18  -0.479   5.977  -2.563
  136    HB1  ALA  18           HB1      ALA  18   0.921   4.500  -3.927
  137    HB2  ALA  18           HB2      ALA  18   2.310   4.913  -2.921
  138    HB3  ALA  18           HB3      ALA  18   1.518   6.158  -3.888
  139    H    LEU  19           HN       LEU  19   1.528   4.562  -0.073
  140    HA   LEU  19           HA       LEU  19   0.417   1.956  -0.274
  141    HB2  LEU  19           HB2      LEU  19   2.254   3.363   1.540
  142    HB3  LEU  19           HB1      LEU  19   1.238   2.165   2.333
  143    HG   LEU  19           HG       LEU  19   3.409   1.235   1.677
  144   HD11  LEU  19          HD11      LEU  19   2.577  -0.745   0.536
  145   HD12  LEU  19          HD12      LEU  19   1.111   0.121   0.075
  146   HD13  LEU  19          HD13      LEU  19   1.439  -0.214   1.777
  147   HD21  LEU  19          HD21      LEU  19   4.025   0.963  -0.626
  148   HD22  LEU  19          HD22      LEU  19   3.752   2.677  -0.303
  149   HD23  LEU  19          HD23      LEU  19   2.529   1.736  -1.158
  150    H    GLN  20           HN       GLN  20  -0.367   4.928   1.341
  151    HA   GLN  20           HA       GLN  20  -2.327   3.791   2.962
  152    HB2  GLN  20           HB2      GLN  20  -1.962   6.621   2.047
  153    HB3  GLN  20           HB1      GLN  20  -3.241   6.143   3.152
  154    HG2  GLN  20           HG2      GLN  20  -1.562   5.381   4.758
  155    HG3  GLN  20           HG1      GLN  20  -0.285   5.888   3.650
  156   HE21  GLN  20          HE21      GLN  20   0.532   7.352   5.179
  157   HE22  GLN  20          HE22      GLN  20  -0.276   8.847   5.519
  158    H    ARG  21           HN       ARG  21  -2.378   5.346  -0.087
  159    HA   ARG  21           HA       ARG  21  -5.114   5.116  -0.686
  160    HB2  ARG  21           HB2      ARG  21  -3.180   6.325  -1.939
  161    HB3  ARG  21           HB1      ARG  21  -2.916   4.777  -2.716
  162    HG2  ARG  21           HG2      ARG  21  -4.393   5.424  -4.230
  163    HG3  ARG  21           HG1      ARG  21  -5.629   5.180  -2.993
  164    HD2  ARG  21           HD2      ARG  21  -4.152   7.742  -3.563
  165    HD3  ARG  21           HD1      ARG  21  -5.818   7.386  -3.995
  166    HE   ARG  21           HE       ARG  21  -5.248   7.198  -1.172
  167   HH11  ARG  21          HH11      ARG  21  -6.256   9.260  -3.814
  168   HH12  ARG  21          HH12      ARG  21  -7.017  10.436  -2.776
  169   HH21  ARG  21          HH21      ARG  21  -6.230   8.725   0.199
  170   HH22  ARG  21          HH22      ARG  21  -6.994  10.132  -0.483
  171    H    HIS  22           HN       HIS  22  -2.367   3.034  -0.933
  172    HA   HIS  22           HA       HIS  22  -3.418   1.095  -2.700
  173    HB2  HIS  22           HB2      HIS  22  -0.991   1.569  -2.022
  174    HB3  HIS  22           HB1      HIS  22  -1.309   0.539  -0.639
  175    HD1  HIS  22           HD1      HIS  22  -1.535   0.301  -4.447
  176    HD2  HIS  22           HD2      HIS  22  -0.880  -2.023  -1.071
  177    HE1  HIS  22           HE1      HIS  22  -0.990  -2.021  -5.281
  178    H    VAL  23           HN       VAL  23  -3.035   1.095   0.828
  179    HA   VAL  23           HA       VAL  23  -3.990  -1.522   1.055
  180    HB   VAL  23           HB       VAL  23  -3.921   0.608   3.203
  181   HG11  VAL  23          HG11      VAL  23  -4.183  -2.392   3.417
  182   HG12  VAL  23          HG12      VAL  23  -5.428  -1.203   3.803
  183   HG13  VAL  23          HG13      VAL  23  -3.958  -1.287   4.775
  184   HG21  VAL  23          HG21      VAL  23  -1.723   0.185   2.257
  185   HG22  VAL  23          HG22      VAL  23  -1.939  -1.552   2.478
  186   HG23  VAL  23          HG23      VAL  23  -1.825  -0.491   3.882
  187    H    ARG  24           HN       ARG  24  -5.516   1.625   1.147
  188    HA   ARG  24           HA       ARG  24  -8.099   0.771   1.903
  189    HB2  ARG  24           HB2      ARG  24  -7.334   3.143   0.196
  190    HB3  ARG  24           HB1      ARG  24  -8.876   2.905   1.008
  191    HG2  ARG  24           HG2      ARG  24  -7.668   2.926   3.176
  192    HG3  ARG  24           HG1      ARG  24  -6.194   3.342   2.300
  193    HD2  ARG  24           HD2      ARG  24  -7.379   5.334   1.393
  194    HD3  ARG  24           HD1      ARG  24  -8.745   4.940   2.436
  195    HE   ARG  24           HE       ARG  24  -6.098   5.861   3.320
  196   HH11  ARG  24          HH11      ARG  24  -9.404   5.038   4.073
  197   HH12  ARG  24          HH12      ARG  24  -9.410   5.875   5.590
  198   HH21  ARG  24          HH21      ARG  24  -6.087   6.955   5.323
  199   HH22  ARG  24          HH22      ARG  24  -7.512   6.950   6.313
  200    H    ILE  25           HN       ILE  25  -6.361   0.729  -1.108
  201    HA   ILE  25           HA       ILE  25  -8.455   0.304  -2.914
  202    HB   ILE  25           HB       ILE  25  -5.595  -0.661  -2.931
  203   HG12  ILE  25          HG12      ILE  25  -6.012   1.808  -3.001
  204   HG13  ILE  25          HG11      ILE  25  -5.141   1.185  -4.394
  205   HG21  ILE  25          HG21      ILE  25  -6.860  -2.133  -4.328
  206   HG22  ILE  25          HG22      ILE  25  -5.897  -1.058  -5.340
  207   HG23  ILE  25          HG23      ILE  25  -7.624  -0.768  -5.140
  208   HD11  ILE  25          HD11      ILE  25  -7.245   1.221  -5.676
  209   HD12  ILE  25          HD12      ILE  25  -6.782   2.814  -5.077
  210   HD13  ILE  25          HD13      ILE  25  -8.062   1.907  -4.272
  211    H    HIS  26           HN       HIS  26  -6.434  -2.019  -1.125
  212    HA   HIS  26           HA       HIS  26  -7.685  -4.333  -2.127
  213    HB2  HIS  26           HB2      HIS  26  -6.078  -3.815   0.359
  214    HB3  HIS  26           HB1      HIS  26  -6.780  -5.394   0.040
  215    HD1  HIS  26           HD1      HIS  26  -6.100  -5.706  -2.968
  216    HD2  HIS  26           HD2      HIS  26  -3.479  -4.235  -0.080
  217    HE1  HIS  26           HE1      HIS  26  -3.742  -6.194  -3.808
  218    H    THR  27           HN       THR  27  -8.333  -2.359   0.715
  219    HA   THR  27           HA       THR  27 -10.244  -4.235   1.749
  220    HB   THR  27           HB       THR  27  -8.737  -2.879   3.197
  221    HG1  THR  27           HG1      THR  27 -11.555  -2.709   3.569
  222   HG21  THR  27          HG21      THR  27  -9.361  -0.563   3.689
  223   HG22  THR  27          HG22      THR  27 -10.570  -0.623   2.406
  224   HG23  THR  27          HG23      THR  27  -8.856  -0.763   2.009
  225    H    GLY  28           HN       GLY  28 -10.431  -2.085  -0.717
  226    HA2  GLY  28           HA2      GLY  28 -12.235  -1.394  -1.960
  227    HA3  GLY  28           HA1      GLY  28 -13.255  -2.341  -0.888
  228    H    GLU  29           HN       GLU  29 -11.288  -0.115   0.710
  229    HA   GLU  29           HA       GLU  29 -13.570   1.441   1.499
  230    HB2  GLU  29           HB2      GLU  29 -12.158   1.020   3.274
  231    HB3  GLU  29           HB1      GLU  29 -10.710   1.196   2.298
  232    HG2  GLU  29           HG2      GLU  29 -10.972   3.569   2.272
  233    HG3  GLU  29           HG1      GLU  29 -12.478   3.452   3.185
  234    H    LYS  30           HN       LYS  30 -10.735   1.833  -0.519
  235    HA   LYS  30           HA       LYS  30 -11.803   4.428  -1.405
  236    HB2  LYS  30           HB2      LYS  30  -9.801   4.851  -0.089
  237    HB3  LYS  30           HB1      LYS  30  -8.899   3.667  -1.023
  238    HG2  LYS  30           HG2      LYS  30  -8.281   5.860  -1.747
  239    HG3  LYS  30           HG1      LYS  30  -9.204   5.081  -3.032
  240    HD2  LYS  30           HD2      LYS  30 -11.220   6.296  -2.257
  241    HD3  LYS  30           HD1      LYS  30 -10.218   7.138  -1.072
  242    HE2  LYS  30           HE2      LYS  30  -8.831   8.007  -2.921
  243    HE3  LYS  30           HE1      LYS  30  -9.921   7.232  -4.069
  244    HZ1  LYS  30           HZ1      LYS  30 -10.590   9.403  -2.162
  245    HZ2  LYS  30           HZ2      LYS  30 -11.736   8.585  -3.111
  246    HZ3  LYS  30           HZ3      LYS  30 -10.525   9.511  -3.855
  Start of MODEL   15
    1    H1   MET   1           HT1      MET   1  17.776   3.266  -1.061
    2    H2   MET   1           HT2      MET   1  17.872   4.036   0.448
    3    H3   MET   1           HT3      MET   1  18.080   4.932  -0.982
    4    HA   MET   1           HA       MET   1  15.903   5.318  -0.035
    5    HB2  MET   1           HB2      MET   1  16.089   5.467  -2.447
    6    HB3  MET   1           HB1      MET   1  15.947   3.721  -2.607
    7    HG2  MET   1           HG2      MET   1  13.654   3.918  -1.611
    8    HG3  MET   1           HG1      MET   1  13.825   5.668  -1.754
    9    HE1  MET   1           HE1      MET   1  11.519   5.575  -3.125
   10    HE2  MET   1           HE2      MET   1  11.476   3.814  -3.085
   11    HE3  MET   1           HE3      MET   1  11.305   4.665  -4.623
   12    H    LYS   2           HN       LYS   2  14.380   4.549   1.259
   13    HA   LYS   2           HA       LYS   2  13.893   1.644   1.293
   14    HB2  LYS   2           HB2      LYS   2  14.569   2.573   3.454
   15    HB3  LYS   2           HB1      LYS   2  13.272   3.757   3.370
   16    HG2  LYS   2           HG2      LYS   2  12.698   1.930   4.865
   17    HG3  LYS   2           HG1      LYS   2  11.619   1.967   3.471
   18    HD2  LYS   2           HD2      LYS   2  13.012   0.206   2.413
   19    HD3  LYS   2           HD1      LYS   2  13.971   0.126   3.892
   20    HE2  LYS   2           HE2      LYS   2  11.934  -0.466   5.146
   21    HE3  LYS   2           HE1      LYS   2  11.020  -0.439   3.639
   22    HZ1  LYS   2           HZ1      LYS   2  11.607  -2.681   4.180
   23    HZ2  LYS   2           HZ2      LYS   2  13.249  -2.280   4.321
   24    HZ3  LYS   2           HZ3      LYS   2  12.489  -2.212   2.808
   25    HA   PRO   3           HA       PRO   3  10.162   3.190  -0.779
   26    HB2  PRO   3           HB2      PRO   3   9.574   0.926  -2.097
   27    HB3  PRO   3           HB1      PRO   3  10.872   2.005  -2.640
   28    HG2  PRO   3           HG2      PRO   3  11.051  -0.537  -1.068
   29    HG3  PRO   3           HG1      PRO   3  12.047   0.014  -2.424
   30    HD2  PRO   3           HD2      PRO   3  12.806   0.227   0.194
   31    HD3  PRO   3           HD1      PRO   3  13.368   1.327  -1.079
   32    H    TYR   4           HN       TYR   4   7.936   2.232  -0.913
   33    HA   TYR   4           HA       TYR   4   7.317   0.912   1.638
   34    HB2  TYR   4           HB2      TYR   4   5.982   3.105   0.123
   35    HB3  TYR   4           HB1      TYR   4   4.942   1.949   0.969
   36    HD1  TYR   4           HD1      TYR   4   7.764   4.292   1.464
   37    HD2  TYR   4           HD2      TYR   4   4.622   2.099   3.305
   38    HE1  TYR   4           HE1      TYR   4   8.149   5.522   3.557
   39    HE2  TYR   4           HE2      TYR   4   4.997   3.324   5.405
   40    HH   TYR   4           HH       TYR   4   6.985   6.113   5.583
   41    H    VAL   5           HN       VAL   5   6.564  -1.072   1.510
   42    HA   VAL   5           HA       VAL   5   5.663  -2.018  -1.108
   43    HB   VAL   5           HB       VAL   5   6.381  -4.227  -0.442
   44   HG11  VAL   5          HG11      VAL   5   8.021  -2.773  -1.502
   45   HG12  VAL   5          HG12      VAL   5   8.795  -3.864  -0.354
   46   HG13  VAL   5          HG13      VAL   5   8.523  -2.176   0.078
   47   HG21  VAL   5          HG21      VAL   5   5.924  -4.086   1.955
   48   HG22  VAL   5          HG22      VAL   5   7.279  -2.974   2.148
   49   HG23  VAL   5          HG23      VAL   5   7.571  -4.641   1.653
   50    H    CYS   6           HN       CYS   6   3.799  -3.196  -1.286
   51    HA   CYS   6           HA       CYS   6   1.793  -2.811   0.678
   52    HB2  CYS   6           HB2      CYS   6   1.365  -3.096  -1.777
   53    HB3  CYS   6           HB1      CYS   6   1.744  -4.801  -1.595
   54    H    ILE   7           HN       ILE   7   1.303  -3.976   2.386
   55    HA   ILE   7           HA       ILE   7   3.017  -6.093   3.184
   56    HB   ILE   7           HB       ILE   7   0.525  -4.964   4.488
   57   HG12  ILE   7          HG12      ILE   7   2.305  -3.949   6.058
   58   HG13  ILE   7          HG11      ILE   7   3.451  -4.289   4.767
   59   HG21  ILE   7          HG21      ILE   7   2.662  -6.754   5.614
   60   HG22  ILE   7          HG22      ILE   7   0.982  -7.184   5.298
   61   HG23  ILE   7          HG23      ILE   7   1.371  -5.999   6.545
   62   HD11  ILE   7          HD11      ILE   7   2.338  -2.799   3.287
   63   HD12  ILE   7          HD12      ILE   7   2.562  -1.958   4.821
   64   HD13  ILE   7          HD13      ILE   7   0.982  -2.617   4.397
   65    H    HIS   8           HN       HIS   8   0.016  -5.865   1.536
   66    HA   HIS   8           HA       HIS   8  -0.845  -8.486   2.499
   67    HB2  HIS   8           HB2      HIS   8  -2.317  -6.282   2.204
   68    HB3  HIS   8           HB1      HIS   8  -2.532  -6.959   0.588
   69    HD1  HIS   8           HD1      HIS   8  -3.838  -9.217   0.409
   70    HD2  HIS   8           HD2      HIS   8  -3.585  -7.663   4.259
   71    HE1  HIS   8           HE1      HIS   8  -5.487 -10.530   1.783
   72    HE2  HIS   8           HE2      HIS   8  -5.172  -9.702   4.144
   73    H    CYS   9           HN       CYS   9  -0.108  -6.860  -0.615
   74    HA   CYS   9           HA       CYS   9  -0.293  -9.530  -1.824
   75    HB2  CYS   9           HB2      CYS   9  -1.008  -8.542  -3.840
   76    HB3  CYS   9           HB1      CYS   9  -1.899  -7.718  -2.577
   77    H    GLN  10           HN       GLN  10   1.851  -7.286  -0.802
   78    HA   GLN  10           HA       GLN  10   4.094  -7.109  -0.871
   79    HB2  GLN  10           HB2      GLN  10   3.869  -9.746  -2.313
   80    HB3  GLN  10           HB1      GLN  10   5.400  -9.027  -1.802
   81    HG2  GLN  10           HG2      GLN  10   4.642  -9.077   0.519
   82    HG3  GLN  10           HG1      GLN  10   3.123  -9.809   0.005
   83   HE21  GLN  10          HE21      GLN  10   6.534 -10.285   0.472
   84   HE22  GLN  10          HE22      GLN  10   6.507 -12.025   0.329
   85    H    ARG  11           HN       ARG  11   3.321  -5.319  -2.416
   86    HA   ARG  11           HA       ARG  11   5.004  -5.530  -4.797
   87    HB2  ARG  11           HB2      ARG  11   2.243  -4.391  -4.528
   88    HB3  ARG  11           HB1      ARG  11   3.349  -3.794  -5.759
   89    HG2  ARG  11           HG2      ARG  11   3.556  -6.062  -6.658
   90    HG3  ARG  11           HG1      ARG  11   2.420  -6.638  -5.438
   91    HD2  ARG  11           HD2      ARG  11   1.336  -6.254  -7.601
   92    HD3  ARG  11           HD1      ARG  11   0.688  -5.210  -6.336
   93    HE   ARG  11           HE       ARG  11   2.792  -3.955  -7.813
   94   HH11  ARG  11          HH11      ARG  11  -0.627  -4.719  -7.828
   95   HH12  ARG  11          HH12      ARG  11  -1.045  -3.416  -8.905
   96   HH21  ARG  11          HH21      ARG  11   2.261  -2.250  -9.232
   97   HH22  ARG  11          HH22      ARG  11   0.605  -2.008  -9.708
   98    H    GLN  12           HN       GLN  12   6.412  -3.891  -5.096
   99    HA   GLN  12           HA       GLN  12   6.779  -2.079  -2.878
  100    HB2  GLN  12           HB2      GLN  12   8.388  -2.313  -5.422
  101    HB3  GLN  12           HB1      GLN  12   8.890  -1.579  -3.910
  102    HG2  GLN  12           HG2      GLN  12   8.840  -3.753  -2.819
  103    HG3  GLN  12           HG1      GLN  12   8.304  -4.499  -4.323
  104   HE21  GLN  12          HE21      GLN  12  10.049  -2.698  -5.897
  105   HE22  GLN  12          HE22      GLN  12  11.653  -3.358  -5.722
  106    H    PHE  13           HN       PHE  13   6.306   0.033  -2.815
  107    HA   PHE  13           HA       PHE  13   5.923   1.462  -5.361
  108    HB2  PHE  13           HB2      PHE  13   4.197   1.770  -2.878
  109    HB3  PHE  13           HB1      PHE  13   4.134   2.820  -4.300
  110    HD1  PHE  13           HD1      PHE  13   3.205   2.040  -6.392
  111    HD2  PHE  13           HD2      PHE  13   3.288  -0.471  -2.959
  112    HE1  PHE  13           HE1      PHE  13   1.599   0.520  -7.469
  113    HE2  PHE  13           HE2      PHE  13   1.679  -1.994  -4.029
  114    HZ   PHE  13           HZ       PHE  13   0.834  -1.499  -6.288
  115    H    ALA  14           HN       ALA  14   5.982   3.925  -4.916
  116    HA   ALA  14           HA       ALA  14   8.566   4.365  -3.713
  117    HB1  ALA  14           HB1      ALA  14   6.714   6.359  -4.997
  118    HB2  ALA  14           HB2      ALA  14   7.891   5.372  -5.872
  119    HB3  ALA  14           HB3      ALA  14   8.439   6.557  -4.686
  120    H    ASP  15           HN       ASP  15   5.279   5.554  -3.178
  121    HA   ASP  15           HA       ASP  15   6.289   7.247  -1.005
  122    HB2  ASP  15           HB2      ASP  15   3.800   7.476  -2.704
  123    HB3  ASP  15           HB1      ASP  15   4.205   8.548  -1.377
  124    HA   PRO  16           HA       PRO  16   3.841   5.005   2.012
  125    HB2  PRO  16           HB2      PRO  16   3.578   7.107   3.765
  126    HB3  PRO  16           HB1      PRO  16   4.994   6.053   3.691
  127    HG2  PRO  16           HG2      PRO  16   4.589   8.765   2.497
  128    HG3  PRO  16           HG1      PRO  16   6.017   8.100   3.313
  129    HD2  PRO  16           HD2      PRO  16   5.879   8.270   0.634
  130    HD3  PRO  16           HD1      PRO  16   6.687   6.906   1.443
  131    H    GLY  17           HN       GLY  17   3.078   8.134   0.646
  132    HA2  GLY  17           HA2      GLY  17   0.343   8.217   1.406
  133    HA3  GLY  17           HA1      GLY  17   1.085   9.136   0.101
  134    H    ALA  18           HN       ALA  18   2.068   6.554  -1.111
  135    HA   ALA  18           HA       ALA  18  -0.333   6.008  -2.627
  136    HB1  ALA  18           HB1      ALA  18   2.448   4.899  -2.921
  137    HB2  ALA  18           HB2      ALA  18   1.737   6.219  -3.853
  138    HB3  ALA  18           HB3      ALA  18   1.098   4.580  -4.008
  139    H    LEU  19           HN       LEU  19   1.546   4.487  -0.121
  140    HA   LEU  19           HA       LEU  19   0.392   1.905  -0.477
  141    HB2  LEU  19           HB2      LEU  19   2.286   3.150   1.384
  142    HB3  LEU  19           HB1      LEU  19   1.230   1.958   2.133
  143    HG   LEU  19           HG       LEU  19   3.394   1.010   1.353
  144   HD11  LEU  19          HD11      LEU  19   0.959  -0.033  -0.092
  145   HD12  LEU  19          HD12      LEU  19   1.396  -0.395   1.577
  146   HD13  LEU  19          HD13      LEU  19   2.428  -0.942   0.257
  147   HD21  LEU  19          HD21      LEU  19   3.618   2.469  -0.643
  148   HD22  LEU  19          HD22      LEU  19   2.324   1.550  -1.413
  149   HD23  LEU  19          HD23      LEU  19   3.844   0.756  -0.991
  150    H    GLN  20           HN       GLN  20  -0.371   4.823   1.255
  151    HA   GLN  20           HA       GLN  20  -2.336   3.528   2.795
  152    HB2  GLN  20           HB2      GLN  20  -2.959   5.693   3.643
  153    HB3  GLN  20           HB1      GLN  20  -1.213   5.601   3.537
  154    HG2  GLN  20           HG2      GLN  20  -1.325   6.821   1.387
  155    HG3  GLN  20           HG1      GLN  20  -3.054   7.036   1.658
  156   HE21  GLN  20          HE21      GLN  20  -2.860   9.269   1.720
  157   HE22  GLN  20          HE22      GLN  20  -2.148  10.100   3.057
  158    H    ARG  21           HN       ARG  21  -2.244   5.306  -0.098
  159    HA   ARG  21           HA       ARG  21  -4.985   5.212  -0.795
  160    HB2  ARG  21           HB2      ARG  21  -3.182   6.513  -1.965
  161    HB3  ARG  21           HB1      ARG  21  -2.592   5.013  -2.633
  162    HG2  ARG  21           HG2      ARG  21  -3.938   6.189  -4.267
  163    HG3  ARG  21           HG1      ARG  21  -4.707   4.672  -3.797
  164    HD2  ARG  21           HD2      ARG  21  -6.219   5.882  -2.315
  165    HD3  ARG  21           HD1      ARG  21  -5.430   7.403  -2.732
  166    HE   ARG  21           HE       ARG  21  -6.270   6.245  -5.114
  167   HH11  ARG  21          HH11      ARG  21  -7.767   7.486  -2.200
  168   HH12  ARG  21          HH12      ARG  21  -9.229   7.974  -3.008
  169   HH21  ARG  21          HH21      ARG  21  -8.143   6.902  -6.184
  170   HH22  ARG  21          HH22      ARG  21  -9.440   7.653  -5.293
  171    H    HIS  22           HN       HIS  22  -2.282   3.057  -1.096
  172    HA   HIS  22           HA       HIS  22  -3.465   1.158  -2.844
  173    HB2  HIS  22           HB2      HIS  22  -1.004   1.444  -2.295
  174    HB3  HIS  22           HB1      HIS  22  -1.318   0.516  -0.841
  175    HD1  HIS  22           HD1      HIS  22  -1.593   0.119  -4.626
  176    HD2  HIS  22           HD2      HIS  22  -1.225  -2.125  -1.147
  177    HE1  HIS  22           HE1      HIS  22  -1.292  -2.280  -5.358
  178    H    VAL  23           HN       VAL  23  -3.024   1.137   0.682
  179    HA   VAL  23           HA       VAL  23  -4.106  -1.433   0.933
  180    HB   VAL  23           HB       VAL  23  -3.894   0.709   3.061
  181   HG11  VAL  23          HG11      VAL  23  -5.501  -0.994   3.710
  182   HG12  VAL  23          HG12      VAL  23  -4.024  -1.160   4.660
  183   HG13  VAL  23          HG13      VAL  23  -4.339  -2.264   3.320
  184   HG21  VAL  23          HG21      VAL  23  -1.737   0.102   2.062
  185   HG22  VAL  23          HG22      VAL  23  -2.057  -1.598   2.419
  186   HG23  VAL  23          HG23      VAL  23  -1.854  -0.444   3.736
  187    H    ARG  24           HN       ARG  24  -5.469   1.772   0.959
  188    HA   ARG  24           HA       ARG  24  -8.110   1.071   1.704
  189    HB2  ARG  24           HB2      ARG  24  -6.977   3.409   0.173
  190    HB3  ARG  24           HB1      ARG  24  -8.672   3.282   0.632
  191    HG2  ARG  24           HG2      ARG  24  -6.669   2.907   2.773
  192    HG3  ARG  24           HG1      ARG  24  -6.865   4.534   2.127
  193    HD2  ARG  24           HD2      ARG  24  -9.144   2.824   3.106
  194    HD3  ARG  24           HD1      ARG  24  -8.303   4.006   4.110
  195    HE   ARG  24           HE       ARG  24  -9.029   5.683   2.376
  196   HH11  ARG  24          HH11      ARG  24 -10.846   2.763   3.022
  197   HH12  ARG  24          HH12      ARG  24 -12.360   3.422   2.469
  198   HH21  ARG  24          HH21      ARG  24 -11.010   6.564   1.654
  199   HH22  ARG  24          HH22      ARG  24 -12.448   5.585   1.674
  200    H    ILE  25           HN       ILE  25  -6.351   0.352  -1.083
  201    HA   ILE  25           HA       ILE  25  -8.647   0.108  -2.811
  202    HB   ILE  25           HB       ILE  25  -5.787  -0.828  -3.097
  203   HG12  ILE  25          HG12      ILE  25  -7.350   1.307  -4.563
  204   HG13  ILE  25          HG11      ILE  25  -6.194   1.595  -3.277
  205   HG21  ILE  25          HG21      ILE  25  -8.038  -1.041  -5.066
  206   HG22  ILE  25          HG22      ILE  25  -7.244  -2.380  -4.236
  207   HG23  ILE  25          HG23      ILE  25  -6.348  -1.397  -5.395
  208   HD11  ILE  25          HD11      ILE  25  -5.213   2.016  -5.454
  209   HD12  ILE  25          HD12      ILE  25  -5.568   0.360  -5.938
  210   HD13  ILE  25          HD13      ILE  25  -4.409   0.672  -4.646
  211    H    HIS  26           HN       HIS  26  -6.471  -2.079  -1.007
  212    HA   HIS  26           HA       HIS  26  -7.924  -4.447  -1.636
  213    HB2  HIS  26           HB2      HIS  26  -5.986  -3.821   0.594
  214    HB3  HIS  26           HB1      HIS  26  -6.733  -5.397   0.399
  215    HD1  HIS  26           HD1      HIS  26  -6.312  -5.804  -2.689
  216    HD2  HIS  26           HD2      HIS  26  -3.469  -4.331  -0.021
  217    HE1  HIS  26           HE1      HIS  26  -4.016  -6.370  -3.673
  218    H    THR  27           HN       THR  27  -7.822  -2.389   1.262
  219    HA   THR  27           HA       THR  27 -10.209  -3.775   2.266
  220    HB   THR  27           HB       THR  27  -8.387  -1.966   3.864
  221    HG1  THR  27           HG1      THR  27  -8.246  -4.814   3.772
  222   HG21  THR  27          HG21      THR  27 -10.287  -4.182   4.661
  223   HG22  THR  27          HG22      THR  27 -10.567  -2.453   4.873
  224   HG23  THR  27          HG23      THR  27  -9.273  -3.253   5.765
  225    H    GLY  28           HN       GLY  28 -10.335  -1.781   0.203
  226    HA2  GLY  28           HA2      GLY  28 -11.438   0.594   1.462
  227    HA3  GLY  28           HA1      GLY  28 -11.347   0.273  -0.264
  228    H    GLU  29           HN       GLU  29 -12.530  -2.347   1.398
  229    HA   GLU  29           HA       GLU  29 -15.071  -2.303   0.254
  230    HB2  GLU  29           HB2      GLU  29 -14.154  -3.803   2.702
  231    HB3  GLU  29           HB1      GLU  29 -15.496  -4.220   1.650
  232    HG2  GLU  29           HG2      GLU  29 -12.574  -4.262   0.964
  233    HG3  GLU  29           HG1      GLU  29 -13.660  -5.637   1.135
  234    H    LYS  30           HN       LYS  30 -13.866  -1.313   3.394
  235    HA   LYS  30           HA       LYS  30 -16.513  -0.212   4.035
  236    HB2  LYS  30           HB2      LYS  30 -15.875  -2.170   5.444
  237    HB3  LYS  30           HB1      LYS  30 -14.472  -1.271   6.000
  238    HG2  LYS  30           HG2      LYS  30 -15.857   0.347   7.089
  239    HG3  LYS  30           HG1      LYS  30 -17.313  -0.354   6.378
  240    HD2  LYS  30           HD2      LYS  30 -15.459  -1.714   8.335
  241    HD3  LYS  30           HD1      LYS  30 -17.053  -1.056   8.702
  242    HE2  LYS  30           HE2      LYS  30 -18.065  -2.634   7.125
  243    HE3  LYS  30           HE1      LYS  30 -16.471  -3.296   6.767
  244    HZ1  LYS  30           HZ1      LYS  30 -16.279  -4.096   8.989
  245    HZ2  LYS  30           HZ2      LYS  30 -17.785  -4.604   8.389
  246    HZ3  LYS  30           HZ3      LYS  30 -17.701  -3.300   9.467
  Start of MODEL   16
    1    H1   MET   1           HT1      MET   1  17.888   2.480   0.846
    2    H2   MET   1           HT2      MET   1  18.894   2.475  -0.520
    3    H3   MET   1           HT3      MET   1  18.694   1.057   0.394
    4    HA   MET   1           HA       MET   1  16.595   2.431  -1.172
    5    HB2  MET   1           HB2      MET   1  18.141  -0.116  -1.633
    6    HB3  MET   1           HB1      MET   1  16.634   0.246  -2.461
    7    HG2  MET   1           HG2      MET   1  17.692   2.295  -3.369
    8    HG3  MET   1           HG1      MET   1  19.211   1.785  -2.631
    9    HE1  MET   1           HE1      MET   1  18.911   2.469  -5.704
   10    HE2  MET   1           HE2      MET   1  19.794   1.144  -6.460
   11    HE3  MET   1           HE3      MET   1  20.433   1.913  -5.006
   12    H    LYS   2           HN       LYS   2  14.958   2.401   0.280
   13    HA   LYS   2           HA       LYS   2  13.829  -0.251   0.710
   14    HB2  LYS   2           HB2      LYS   2  14.632   1.575   2.884
   15    HB3  LYS   2           HB1      LYS   2  13.008   0.917   3.019
   16    HG2  LYS   2           HG2      LYS   2  14.158  -1.361   2.596
   17    HG3  LYS   2           HG1      LYS   2  15.633  -0.506   3.054
   18    HD2  LYS   2           HD2      LYS   2  14.694   0.081   5.189
   19    HD3  LYS   2           HD1      LYS   2  13.127  -0.586   4.728
   20    HE2  LYS   2           HE2      LYS   2  14.152  -2.202   6.115
   21    HE3  LYS   2           HE1      LYS   2  14.279  -2.809   4.466
   22    HZ1  LYS   2           HZ1      LYS   2  16.345  -3.123   5.612
   23    HZ2  LYS   2           HZ2      LYS   2  16.426  -1.487   6.030
   24    HZ3  LYS   2           HZ3      LYS   2  16.571  -1.955   4.406
   25    HA   PRO   3           HA       PRO   3  10.611   2.474  -0.925
   26    HB2  PRO   3           HB2      PRO   3   9.348   0.549  -2.322
   27    HB3  PRO   3           HB1      PRO   3  10.800   1.351  -2.938
   28    HG2  PRO   3           HG2      PRO   3  10.532  -1.313  -1.598
   29    HG3  PRO   3           HG1      PRO   3  11.482  -0.865  -3.025
   30    HD2  PRO   3           HD2      PRO   3  12.562  -1.108  -0.535
   31    HD3  PRO   3           HD1      PRO   3  13.198   0.001  -1.768
   32    H    TYR   4           HN       TYR   4   8.169   2.015  -0.909
   33    HA   TYR   4           HA       TYR   4   7.562   0.814   1.687
   34    HB2  TYR   4           HB2      TYR   4   5.913   2.792   0.072
   35    HB3  TYR   4           HB1      TYR   4   5.616   2.262   1.731
   36    HD1  TYR   4           HD2      TYR   4   7.019   3.033   3.563
   37    HD2  TYR   4           HD1      TYR   4   7.706   4.367  -0.413
   38    HE1  TYR   4           HE2      TYR   4   8.388   4.881   4.429
   39    HE2  TYR   4           HE1      TYR   4   9.074   6.225   0.439
   40    HH   TYR   4           HH       TYR   4  10.103   6.416   3.727
   41    H    VAL   5           HN       VAL   5   6.582  -1.089   1.694
   42    HA   VAL   5           HA       VAL   5   5.663  -2.054  -0.911
   43    HB   VAL   5           HB       VAL   5   6.260  -4.261  -0.217
   44   HG11  VAL   5          HG11      VAL   5   8.474  -2.343   0.472
   45   HG12  VAL   5          HG12      VAL   5   8.009  -2.836  -1.153
   46   HG13  VAL   5          HG13      VAL   5   8.667  -4.024  -0.028
   47   HG21  VAL   5          HG21      VAL   5   7.005  -3.055   2.443
   48   HG22  VAL   5          HG22      VAL   5   7.337  -4.717   1.952
   49   HG23  VAL   5          HG23      VAL   5   5.672  -4.166   2.133
   50    H    CYS   6           HN       CYS   6   3.850  -3.304  -1.106
   51    HA   CYS   6           HA       CYS   6   1.737  -2.830   0.768
   52    HB2  CYS   6           HB2      CYS   6   1.648  -3.187  -1.829
   53    HB3  CYS   6           HB1      CYS   6   1.580  -4.887  -1.399
   54    H    ILE   7           HN       ILE   7   1.220  -4.046   2.451
   55    HA   ILE   7           HA       ILE   7   2.849  -6.272   3.149
   56    HB   ILE   7           HB       ILE   7   0.421  -5.064   4.491
   57   HG12  ILE   7          HG12      ILE   7   2.252  -4.312   6.157
   58   HG13  ILE   7          HG11      ILE   7   3.377  -4.642   4.845
   59   HG21  ILE   7          HG21      ILE   7   1.117  -6.280   6.492
   60   HG22  ILE   7          HG22      ILE   7   2.362  -7.091   5.544
   61   HG23  ILE   7          HG23      ILE   7   0.660  -7.352   5.168
   62   HD11  ILE   7          HD11      ILE   7   2.307  -2.997   3.459
   63   HD12  ILE   7          HD12      ILE   7   2.728  -2.274   5.011
   64   HD13  ILE   7          HD13      ILE   7   1.060  -2.734   4.672
   65    H    HIS   8           HN       HIS   8  -0.068  -5.869   1.418
   66    HA   HIS   8           HA       HIS   8  -1.051  -8.503   2.242
   67    HB2  HIS   8           HB2      HIS   8  -2.509  -6.362   2.180
   68    HB3  HIS   8           HB1      HIS   8  -2.581  -6.662   0.438
   69    HD1  HIS   8           HD1      HIS   8  -4.427  -8.195  -0.299
   70    HD2  HIS   8           HD2      HIS   8  -3.443  -8.718   3.715
   71    HE1  HIS   8           HE1      HIS   8  -6.089  -9.851   0.605
   72    HE2  HIS   8           HE2      HIS   8  -5.399 -10.249   2.993
   73    H    CYS   9           HN       CYS   9   0.077  -6.817  -0.674
   74    HA   CYS   9           HA       CYS   9  -0.333  -9.355  -2.088
   75    HB2  CYS   9           HB2      CYS   9  -0.808  -8.164  -4.078
   76    HB3  CYS   9           HB1      CYS   9  -1.768  -7.424  -2.813
   77    H    GLN  10           HN       GLN  10   1.986  -7.428  -0.809
   78    HA   GLN  10           HA       GLN  10   4.247  -7.493  -0.833
   79    HB2  GLN  10           HB2      GLN  10   3.690  -9.948  -2.478
   80    HB3  GLN  10           HB1      GLN  10   5.337  -9.410  -2.150
   81    HG2  GLN  10           HG2      GLN  10   4.903 -11.045  -0.547
   82    HG3  GLN  10           HG1      GLN  10   4.712  -9.519   0.310
   83   HE21  GLN  10          HE21      GLN  10   2.750  -8.978   1.149
   84   HE22  GLN  10          HE22      GLN  10   1.380 -10.053   1.148
   85    H    ARG  11           HN       ARG  11   3.371  -5.543  -2.407
   86    HA   ARG  11           HA       ARG  11   5.146  -5.691  -4.737
   87    HB2  ARG  11           HB2      ARG  11   2.576  -4.124  -4.501
   88    HB3  ARG  11           HB1      ARG  11   3.643  -4.155  -5.891
   89    HG2  ARG  11           HG2      ARG  11   2.096  -6.496  -4.810
   90    HG3  ARG  11           HG1      ARG  11   1.693  -5.561  -6.249
   91    HD2  ARG  11           HD2      ARG  11   3.744  -6.279  -7.320
   92    HD3  ARG  11           HD1      ARG  11   4.230  -7.145  -5.861
   93    HE   ARG  11           HE       ARG  11   1.854  -8.278  -6.426
   94   HH11  ARG  11          HH11      ARG  11   4.658  -7.617  -8.425
   95   HH12  ARG  11          HH12      ARG  11   4.400  -8.995  -9.450
   96   HH21  ARG  11          HH21      ARG  11   1.508 -10.071  -7.791
   97   HH22  ARG  11          HH22      ARG  11   2.619 -10.383  -9.103
   98    H    GLN  12           HN       GLN  12   6.281  -3.768  -5.248
   99    HA   GLN  12           HA       GLN  12   6.827  -2.177  -2.866
  100    HB2  GLN  12           HB2      GLN  12   8.325  -2.590  -5.447
  101    HB3  GLN  12           HB1      GLN  12   8.793  -1.383  -4.269
  102    HG2  GLN  12           HG2      GLN  12  10.169  -3.168  -3.789
  103    HG3  GLN  12           HG1      GLN  12   8.883  -3.317  -2.605
  104   HE21  GLN  12          HE21      GLN  12   7.497  -5.053  -2.679
  105   HE22  GLN  12          HE22      GLN  12   7.775  -6.432  -3.708
  106    H    PHE  13           HN       PHE  13   6.439  -0.043  -2.702
  107    HA   PHE  13           HA       PHE  13   5.706   1.422  -5.154
  108    HB2  PHE  13           HB2      PHE  13   4.270   1.642  -2.488
  109    HB3  PHE  13           HB1      PHE  13   3.960   2.643  -3.912
  110    HD1  PHE  13           HD1      PHE  13   2.932   1.671  -5.915
  111    HD2  PHE  13           HD2      PHE  13   3.440  -0.592  -2.343
  112    HE1  PHE  13           HE1      PHE  13   1.344  -0.008  -6.755
  113    HE2  PHE  13           HE2      PHE  13   1.847  -2.273  -3.177
  114    HZ   PHE  13           HZ       PHE  13   0.802  -1.980  -5.385
  115    H    ALA  14           HN       ALA  14   5.873   3.772  -4.915
  116    HA   ALA  14           HA       ALA  14   8.514   4.300  -3.895
  117    HB1  ALA  14           HB1      ALA  14   8.470   6.242  -5.230
  118    HB2  ALA  14           HB2      ALA  14   6.707   6.229  -5.314
  119    HB3  ALA  14           HB3      ALA  14   7.643   4.990  -6.162
  120    H    ASP  15           HN       ASP  15   5.238   5.291  -3.109
  121    HA   ASP  15           HA       ASP  15   6.349   7.244  -1.201
  122    HB2  ASP  15           HB2      ASP  15   3.841   7.545  -2.880
  123    HB3  ASP  15           HB1      ASP  15   4.433   8.696  -1.701
  124    HA   PRO  16           HA       PRO  16   3.909   5.148   1.897
  125    HB2  PRO  16           HB2      PRO  16   3.887   7.784   3.236
  126    HB3  PRO  16           HB1      PRO  16   4.502   6.236   3.820
  127    HG2  PRO  16           HG2      PRO  16   6.158   8.213   3.095
  128    HG3  PRO  16           HG1      PRO  16   6.554   6.511   2.794
  129    HD2  PRO  16           HD2      PRO  16   5.538   8.589   0.898
  130    HD3  PRO  16           HD1      PRO  16   6.747   7.315   0.634
  131    H    GLY  17           HN       GLY  17   3.079   8.307   0.589
  132    HA2  GLY  17           HA2      GLY  17   0.390   8.427   1.408
  133    HA3  GLY  17           HA1      GLY  17   1.069   9.219  -0.009
  134    H    ALA  18           HN       ALA  18   1.952   6.865  -1.312
  135    HA   ALA  18           HA       ALA  18  -0.475   6.101  -2.595
  136    HB1  ALA  18           HB1      ALA  18   1.554   6.264  -3.900
  137    HB2  ALA  18           HB2      ALA  18   0.922   4.613  -3.944
  138    HB3  ALA  18           HB3      ALA  18   2.307   5.001  -2.925
  139    H    LEU  19           HN       LEU  19   1.572   4.657  -0.126
  140    HA   LEU  19           HA       LEU  19   0.520   2.049  -0.354
  141    HB2  LEU  19           HB2      LEU  19   2.224   3.508   1.551
  142    HB3  LEU  19           HB1      LEU  19   1.229   2.251   2.279
  143    HG   LEU  19           HG       LEU  19   3.463   1.424   1.685
  144   HD11  LEU  19          HD11      LEU  19   2.743  -0.567   0.469
  145   HD12  LEU  19          HD12      LEU  19   1.255   0.250  -0.006
  146   HD13  LEU  19          HD13      LEU  19   1.555  -0.113   1.694
  147   HD21  LEU  19          HD21      LEU  19   4.130   1.199  -0.623
  148   HD22  LEU  19          HD22      LEU  19   3.836   2.899  -0.245
  149   HD23  LEU  19          HD23      LEU  19   2.638   1.981  -1.157
  150    H    GLN  20           HN       GLN  20  -0.417   4.956   1.332
  151    HA   GLN  20           HA       GLN  20  -2.345   3.585   2.826
  152    HB2  GLN  20           HB2      GLN  20  -2.099   6.536   2.325
  153    HB3  GLN  20           HB1      GLN  20  -3.224   5.819   3.470
  154    HG2  GLN  20           HG2      GLN  20  -1.240   4.821   4.637
  155    HG3  GLN  20           HG1      GLN  20  -0.224   5.813   3.592
  156   HE21  GLN  20          HE21      GLN  20  -0.239   8.051   3.845
  157   HE22  GLN  20          HE22      GLN  20  -0.845   8.803   5.280
  158    H    ARG  21           HN       ARG  21  -2.351   5.353  -0.092
  159    HA   ARG  21           HA       ARG  21  -5.138   5.259  -0.633
  160    HB2  ARG  21           HB2      ARG  21  -3.224   6.576  -1.817
  161    HB3  ARG  21           HB1      ARG  21  -3.010   5.111  -2.751
  162    HG2  ARG  21           HG2      ARG  21  -4.400   6.627  -3.984
  163    HG3  ARG  21           HG1      ARG  21  -5.373   5.249  -3.457
  164    HD2  ARG  21           HD2      ARG  21  -6.250   6.557  -1.599
  165    HD3  ARG  21           HD1      ARG  21  -5.256   7.932  -2.083
  166    HE   ARG  21           HE       ARG  21  -7.547   6.851  -3.603
  167   HH11  ARG  21          HH11      ARG  21  -5.256   9.431  -2.940
  168   HH12  ARG  21          HH12      ARG  21  -6.154  10.618  -3.849
  169   HH21  ARG  21          HH21      ARG  21  -8.709   8.411  -4.794
  170   HH22  ARG  21          HH22      ARG  21  -8.109  10.039  -4.890
  171    H    HIS  22           HN       HIS  22  -2.426   3.157  -1.084
  172    HA   HIS  22           HA       HIS  22  -3.714   1.347  -2.892
  173    HB2  HIS  22           HB2      HIS  22  -1.226   1.696  -2.630
  174    HB3  HIS  22           HB1      HIS  22  -1.323   0.740  -1.165
  175    HD1  HIS  22           HD1      HIS  22  -2.119   0.363  -4.880
  176    HD2  HIS  22           HD2      HIS  22  -1.096  -1.865  -1.527
  177    HE1  HIS  22           HE1      HIS  22  -1.841  -2.023  -5.669
  178    H    VAL  23           HN       VAL  23  -2.921   1.224   0.556
  179    HA   VAL  23           HA       VAL  23  -3.734  -1.424   0.827
  180    HB   VAL  23           HB       VAL  23  -3.428   0.717   2.938
  181   HG11  VAL  23          HG11      VAL  23  -3.887  -2.248   3.277
  182   HG12  VAL  23          HG12      VAL  23  -4.962  -0.946   3.792
  183   HG13  VAL  23          HG13      VAL  23  -3.392  -1.151   4.569
  184   HG21  VAL  23          HG21      VAL  23  -1.383   0.065   1.735
  185   HG22  VAL  23          HG22      VAL  23  -1.668  -1.618   2.183
  186   HG23  VAL  23          HG23      VAL  23  -1.333  -0.418   3.430
  187    H    ARG  24           HN       ARG  24  -5.481   1.606   1.014
  188    HA   ARG  24           HA       ARG  24  -7.862   0.393   2.066
  189    HB2  ARG  24           HB2      ARG  24  -8.949   2.499   1.726
  190    HB3  ARG  24           HB1      ARG  24  -7.347   2.813   2.371
  191    HG2  ARG  24           HG2      ARG  24  -6.558   3.599   0.306
  192    HG3  ARG  24           HG1      ARG  24  -7.938   2.929  -0.567
  193    HD2  ARG  24           HD2      ARG  24  -8.032   5.180   1.437
  194    HD3  ARG  24           HD1      ARG  24  -8.146   5.351  -0.316
  195    HE   ARG  24           HE       ARG  24 -10.127   3.561   0.663
  196   HH11  ARG  24          HH11      ARG  24  -9.362   6.976   0.462
  197   HH12  ARG  24          HH12      ARG  24 -11.031   7.474   0.483
  198   HH21  ARG  24          HH21      ARG  24 -12.301   4.207   0.689
  199   HH22  ARG  24          HH22      ARG  24 -12.707   5.899   0.626
  200    H    ILE  25           HN       ILE  25  -6.407   0.541  -1.022
  201    HA   ILE  25           HA       ILE  25  -8.731   0.177  -2.612
  202    HB   ILE  25           HB       ILE  25  -5.833  -0.529  -3.066
  203   HG12  ILE  25          HG12      ILE  25  -6.277   1.820  -3.147
  204   HG13  ILE  25          HG11      ILE  25  -6.007   1.259  -4.785
  205   HG21  ILE  25          HG21      ILE  25  -8.125  -0.891  -4.964
  206   HG22  ILE  25          HG22      ILE  25  -7.099  -2.153  -4.285
  207   HG23  ILE  25          HG23      ILE  25  -6.421  -0.973  -5.405
  208   HD11  ILE  25          HD11      ILE  25  -8.664   1.881  -3.520
  209   HD12  ILE  25          HD12      ILE  25  -8.437   1.238  -5.146
  210   HD13  ILE  25          HD13      ILE  25  -7.821   2.839  -4.737
  211    H    HIS  26           HN       HIS  26  -6.395  -2.077  -1.144
  212    HA   HIS  26           HA       HIS  26  -7.814  -4.450  -1.782
  213    HB2  HIS  26           HB2      HIS  26  -5.904  -3.831   0.476
  214    HB3  HIS  26           HB1      HIS  26  -6.600  -5.419   0.215
  215    HD1  HIS  26           HD1      HIS  26  -6.167  -5.727  -2.846
  216    HD2  HIS  26           HD2      HIS  26  -3.356  -4.242  -0.153
  217    HE1  HIS  26           HE1      HIS  26  -3.870  -6.124  -3.892
  218    H    THR  27           HN       THR  27  -7.755  -2.366   1.064
  219    HA   THR  27           HA       THR  27  -9.840  -3.875   2.376
  220    HB   THR  27           HB       THR  27  -8.782  -1.226   3.337
  221    HG1  THR  27           HG1      THR  27  -6.924  -2.420   2.873
  222   HG21  THR  27          HG21      THR  27 -10.619  -2.251   4.587
  223   HG22  THR  27          HG22      THR  27  -9.134  -2.260   5.542
  224   HG23  THR  27          HG23      THR  27  -9.687  -3.740   4.756
  225    H    GLY  28           HN       GLY  28 -10.839  -3.034   0.028
  226    HA2  GLY  28           HA2      GLY  28 -12.250  -0.537   0.278
  227    HA3  GLY  28           HA1      GLY  28 -12.490  -1.756  -0.967
  228    H    GLU  29           HN       GLU  29 -13.055  -1.158   2.466
  229    HA   GLU  29           HA       GLU  29 -15.145  -3.143   2.570
  230    HB2  GLU  29           HB2      GLU  29 -14.196  -1.174   4.642
  231    HB3  GLU  29           HB1      GLU  29 -15.302  -2.515   4.929
  232    HG2  GLU  29           HG2      GLU  29 -12.451  -2.760   3.995
  233    HG3  GLU  29           HG1      GLU  29 -13.026  -3.012   5.638
  234    H    LYS  30           HN       LYS  30 -14.844   0.343   2.579
  235    HA   LYS  30           HA       LYS  30 -17.756   0.566   2.280
  236    HB2  LYS  30           HB2      LYS  30 -15.937   2.424   3.828
  237    HB3  LYS  30           HB1      LYS  30 -17.651   2.690   3.547
  238    HG2  LYS  30           HG2      LYS  30 -18.213   0.753   4.864
  239    HG3  LYS  30           HG1      LYS  30 -16.506   0.346   5.051
  240    HD2  LYS  30           HD2      LYS  30 -16.129   2.393   6.302
  241    HD3  LYS  30           HD1      LYS  30 -17.807   2.880   6.056
  242    HE2  LYS  30           HE2      LYS  30 -17.463   1.951   8.285
  243    HE3  LYS  30           HE1      LYS  30 -18.563   0.950   7.337
  244    HZ1  LYS  30           HZ1      LYS  30 -16.909  -0.332   8.608
  245    HZ2  LYS  30           HZ2      LYS  30 -15.669   0.381   7.695
  246    HZ3  LYS  30           HZ3      LYS  30 -16.813  -0.615   6.943
  Start of MODEL   17
    1    H1   MET   1           HT1      MET   1  14.587  -3.637   2.769
    2    H2   MET   1           HT2      MET   1  14.487  -3.349   1.100
    3    H3   MET   1           HT3      MET   1  13.709  -4.696   1.771
    4    HA   MET   1           HA       MET   1  12.092  -3.025   1.295
    5    HB2  MET   1           HB2      MET   1  12.689  -3.250   4.253
    6    HB3  MET   1           HB1      MET   1  11.173  -2.669   3.583
    7    HG2  MET   1           HG2      MET   1  10.828  -4.854   2.517
    8    HG3  MET   1           HG1      MET   1  12.325  -5.428   3.251
    9    HE1  MET   1           HE1      MET   1  10.962  -7.480   4.253
   10    HE2  MET   1           HE2      MET   1   9.454  -6.867   3.572
   11    HE3  MET   1           HE3      MET   1   9.535  -7.307   5.277
   12    H    LYS   2           HN       LYS   2  13.953  -1.419   0.450
   13    HA   LYS   2           HA       LYS   2  14.273   0.871   2.168
   14    HB2  LYS   2           HB2      LYS   2  15.973   0.258   0.452
   15    HB3  LYS   2           HB1      LYS   2  14.809   0.664  -0.802
   16    HG2  LYS   2           HG2      LYS   2  16.376   2.481  -0.474
   17    HG3  LYS   2           HG1      LYS   2  14.751   2.976   0.007
   18    HD2  LYS   2           HD2      LYS   2  15.331   2.534   2.357
   19    HD3  LYS   2           HD1      LYS   2  16.966   2.094   1.859
   20    HE2  LYS   2           HE2      LYS   2  17.271   4.362   0.949
   21    HE3  LYS   2           HE1      LYS   2  15.653   4.789   1.505
   22    HZ1  LYS   2           HZ1      LYS   2  17.314   5.543   3.071
   23    HZ2  LYS   2           HZ2      LYS   2  17.934   3.973   3.227
   24    HZ3  LYS   2           HZ3      LYS   2  16.369   4.328   3.783
   25    HA   PRO   3           HA       PRO   3  10.745   2.672  -0.534
   26    HB2  PRO   3           HB2      PRO   3   9.497   1.149  -2.348
   27    HB3  PRO   3           HB1      PRO   3  11.007   1.992  -2.743
   28    HG2  PRO   3           HG2      PRO   3  10.587  -0.874  -1.963
   29    HG3  PRO   3           HG1      PRO   3  11.576  -0.205  -3.272
   30    HD2  PRO   3           HD2      PRO   3  12.610  -0.965  -0.869
   31    HD3  PRO   3           HD1      PRO   3  13.309   0.330  -1.861
   32    H    TYR   4           HN       TYR   4   8.276   2.228  -0.654
   33    HA   TYR   4           HA       TYR   4   7.652   0.600   1.687
   34    HB2  TYR   4           HB2      TYR   4   6.048   2.772   0.290
   35    HB3  TYR   4           HB1      TYR   4   5.480   1.828   1.672
   36    HD1  TYR   4           HD2      TYR   4   6.555   2.082   3.890
   37    HD2  TYR   4           HD1      TYR   4   7.634   4.534   0.584
   38    HE1  TYR   4           HE2      TYR   4   7.622   3.681   5.428
   39    HE2  TYR   4           HE1      TYR   4   8.697   6.140   2.110
   40    HH   TYR   4           HH       TYR   4   9.492   5.458   5.246
   41    H    VAL   5           HN       VAL   5   6.966  -1.367   1.354
   42    HA   VAL   5           HA       VAL   5   5.712  -2.026  -1.197
   43    HB   VAL   5           HB       VAL   5   6.256  -4.350  -0.690
   44   HG11  VAL   5          HG11      VAL   5   8.612  -2.501  -0.366
   45   HG12  VAL   5          HG12      VAL   5   7.890  -3.015  -1.892
   46   HG13  VAL   5          HG13      VAL   5   8.693  -4.194  -0.855
   47   HG21  VAL   5          HG21      VAL   5   6.091  -4.323   1.727
   48   HG22  VAL   5          HG22      VAL   5   7.492  -3.257   1.834
   49   HG23  VAL   5          HG23      VAL   5   7.684  -4.908   1.244
   50    H    CYS   6           HN       CYS   6   3.789  -3.140  -1.307
   51    HA   CYS   6           HA       CYS   6   1.868  -2.602   0.682
   52    HB2  CYS   6           HB2      CYS   6   1.295  -2.945  -1.695
   53    HB3  CYS   6           HB1      CYS   6   1.714  -4.645  -1.543
   54    H    ILE   7           HN       ILE   7   1.296  -3.643   2.415
   55    HA   ILE   7           HA       ILE   7   2.920  -5.683   3.460
   56    HB   ILE   7           HB       ILE   7   0.305  -4.501   4.419
   57   HG12  ILE   7          HG12      ILE   7   1.865  -3.473   6.160
   58   HG13  ILE   7          HG11      ILE   7   3.193  -3.967   5.117
   59   HG21  ILE   7          HG21      ILE   7   0.783  -5.500   6.587
   60   HG22  ILE   7          HG22      ILE   7   2.178  -6.327   5.896
   61   HG23  ILE   7          HG23      ILE   7   0.555  -6.722   5.333
   62   HD11  ILE   7          HD11      ILE   7   2.522  -1.603   4.848
   63   HD12  ILE   7          HD12      ILE   7   0.949  -2.153   4.264
   64   HD13  ILE   7          HD13      ILE   7   2.412  -2.542   3.360
   65    H    HIS   8           HN       HIS   8  -0.030  -5.691   1.627
   66    HA   HIS   8           HA       HIS   8  -0.696  -8.364   2.616
   67    HB2  HIS   8           HB2      HIS   8  -2.407  -6.409   2.408
   68    HB3  HIS   8           HB1      HIS   8  -2.441  -6.858   0.698
   69    HD1  HIS   8           HD1      HIS   8  -3.732  -8.959   0.060
   70    HD2  HIS   8           HD2      HIS   8  -3.369  -8.437   4.175
   71    HE1  HIS   8           HE1      HIS   8  -5.247 -10.673   1.104
   72    HE2  HIS   8           HE2      HIS   8  -4.845 -10.478   3.586
   73    H    CYS   9           HN       CYS   9  -0.039  -6.714  -0.506
   74    HA   CYS   9           HA       CYS   9  -0.106  -9.400  -1.693
   75    HB2  CYS   9           HB2      CYS   9  -0.844  -8.460  -3.730
   76    HB3  CYS   9           HB1      CYS   9  -1.815  -7.721  -2.472
   77    H    GLN  10           HN       GLN  10   1.973  -7.088  -0.708
   78    HA   GLN  10           HA       GLN  10   4.196  -6.807  -0.856
   79    HB2  GLN  10           HB2      GLN  10   3.992  -9.514  -2.155
   80    HB3  GLN  10           HB1      GLN  10   5.534  -8.724  -1.813
   81    HG2  GLN  10           HG2      GLN  10   4.983  -8.654   0.555
   82    HG3  GLN  10           HG1      GLN  10   3.430  -9.421   0.226
   83   HE21  GLN  10          HE21      GLN  10   3.339 -11.591  -0.217
   84   HE22  GLN  10          HE22      GLN  10   4.702 -12.653   0.017
   85    H    ARG  11           HN       ARG  11   3.045  -5.226  -2.589
   86    HA   ARG  11           HA       ARG  11   4.697  -5.384  -5.006
   87    HB2  ARG  11           HB2      ARG  11   2.129  -3.942  -4.383
   88    HB3  ARG  11           HB1      ARG  11   3.159  -3.431  -5.715
   89    HG2  ARG  11           HG2      ARG  11   2.964  -5.742  -6.645
   90    HG3  ARG  11           HG1      ARG  11   1.764  -6.073  -5.390
   91    HD2  ARG  11           HD2      ARG  11   0.390  -4.226  -6.218
   92    HD3  ARG  11           HD1      ARG  11   1.589  -3.887  -7.463
   93    HE   ARG  11           HE       ARG  11   0.610  -6.581  -7.569
   94   HH11  ARG  11          HH11      ARG  11  -0.069  -3.267  -8.506
   95   HH12  ARG  11          HH12      ARG  11  -1.094  -3.714  -9.835
   96   HH21  ARG  11          HH21      ARG  11  -0.709  -7.174  -9.322
   97   HH22  ARG  11          HH22      ARG  11  -1.458  -5.945 -10.302
   98    H    GLN  12           HN       GLN  12   6.123  -3.717  -5.457
   99    HA   GLN  12           HA       GLN  12   6.923  -2.140  -3.163
  100    HB2  GLN  12           HB2      GLN  12   8.132  -2.464  -5.913
  101    HB3  GLN  12           HB1      GLN  12   8.865  -1.572  -4.591
  102    HG2  GLN  12           HG2      GLN  12   9.134  -3.534  -3.293
  103    HG3  GLN  12           HG1      GLN  12   8.140  -4.471  -4.402
  104   HE21  GLN  12          HE21      GLN  12  10.529  -2.161  -5.478
  105   HE22  GLN  12          HE22      GLN  12  11.652  -3.336  -6.119
  106    H    PHE  13           HN       PHE  13   6.537  -0.035  -2.862
  107    HA   PHE  13           HA       PHE  13   5.697   1.580  -5.180
  108    HB2  PHE  13           HB2      PHE  13   4.481   1.693  -2.402
  109    HB3  PHE  13           HB1      PHE  13   4.098   2.779  -3.742
  110    HD1  PHE  13           HD1      PHE  13   3.025   1.863  -5.788
  111    HD2  PHE  13           HD2      PHE  13   3.460  -0.420  -2.226
  112    HE1  PHE  13           HE1      PHE  13   1.302   0.299  -6.586
  113    HE2  PHE  13           HE2      PHE  13   1.742  -1.987  -3.018
  114    HZ   PHE  13           HZ       PHE  13   0.665  -1.629  -5.200
  115    H    ALA  14           HN       ALA  14   6.038   3.841  -4.959
  116    HA   ALA  14           HA       ALA  14   8.656   4.358  -3.846
  117    HB1  ALA  14           HB1      ALA  14   6.849   6.274  -5.300
  118    HB2  ALA  14           HB2      ALA  14   7.882   5.099  -6.133
  119    HB3  ALA  14           HB3      ALA  14   8.607   6.358  -5.128
  120    H    ASP  15           HN       ASP  15   5.371   5.020  -3.084
  121    HA   ASP  15           HA       ASP  15   6.165   7.232  -1.306
  122    HB2  ASP  15           HB2      ASP  15   3.587   6.934  -2.861
  123    HB3  ASP  15           HB1      ASP  15   4.019   8.275  -1.818
  124    HA   PRO  16           HA       PRO  16   4.059   4.855   1.868
  125    HB2  PRO  16           HB2      PRO  16   3.943   6.877   3.708
  126    HB3  PRO  16           HB1      PRO  16   5.378   5.880   3.447
  127    HG2  PRO  16           HG2      PRO  16   4.768   8.629   2.465
  128    HG3  PRO  16           HG1      PRO  16   6.305   7.957   3.035
  129    HD2  PRO  16           HD2      PRO  16   5.707   8.307   0.400
  130    HD3  PRO  16           HD1      PRO  16   6.796   7.032   0.987
  131    H    GLY  17           HN       GLY  17   3.182   7.981   0.613
  132    HA2  GLY  17           HA2      GLY  17   0.500   8.064   1.509
  133    HA3  GLY  17           HA1      GLY  17   1.162   8.936   0.130
  134    H    ALA  18           HN       ALA  18   2.102   6.434  -1.122
  135    HA   ALA  18           HA       ALA  18  -0.343   5.788  -2.487
  136    HB1  ALA  18           HB1      ALA  18   1.024   4.296  -3.849
  137    HB2  ALA  18           HB2      ALA  18   2.414   4.624  -2.810
  138    HB3  ALA  18           HB3      ALA  18   1.702   5.924  -3.771
  139    H    LEU  19           HN       LEU  19   1.556   4.384   0.078
  140    HA   LEU  19           HA       LEU  19   0.477   1.786  -0.145
  141    HB2  LEU  19           HB2      LEU  19   2.160   3.248   1.767
  142    HB3  LEU  19           HB1      LEU  19   1.115   2.036   2.505
  143    HG   LEU  19           HG       LEU  19   3.362   1.167   1.977
  144   HD11  LEU  19          HD11      LEU  19   1.495  -0.372   2.066
  145   HD12  LEU  19          HD12      LEU  19   2.608  -0.854   0.786
  146   HD13  LEU  19          HD13      LEU  19   1.100  -0.031   0.382
  147   HD21  LEU  19          HD21      LEU  19   4.028   0.816  -0.325
  148   HD22  LEU  19          HD22      LEU  19   3.780   2.537  -0.016
  149   HD23  LEU  19          HD23      LEU  19   2.559   1.613  -0.893
  150    H    GLN  20           HN       GLN  20  -0.474   4.745   1.474
  151    HA   GLN  20           HA       GLN  20  -2.513   3.412   2.874
  152    HB2  GLN  20           HB2      GLN  20  -3.214   5.535   3.737
  153    HB3  GLN  20           HB1      GLN  20  -1.460   5.519   3.688
  154    HG2  GLN  20           HG2      GLN  20  -1.487   6.808   1.637
  155    HG3  GLN  20           HG1      GLN  20  -3.248   6.827   1.668
  156   HE21  GLN  20          HE21      GLN  20  -3.344   9.058   1.769
  157   HE22  GLN  20          HE22      GLN  20  -2.927   9.942   3.197
  158    H    ARG  21           HN       ARG  21  -2.262   5.215   0.016
  159    HA   ARG  21           HA       ARG  21  -4.944   5.277  -0.842
  160    HB2  ARG  21           HB2      ARG  21  -2.838   6.369  -1.861
  161    HB3  ARG  21           HB1      ARG  21  -2.561   4.826  -2.635
  162    HG2  ARG  21           HG2      ARG  21  -3.624   6.184  -4.233
  163    HG3  ARG  21           HG1      ARG  21  -4.844   5.044  -3.664
  164    HD2  ARG  21           HD2      ARG  21  -4.581   7.731  -2.385
  165    HD3  ARG  21           HD1      ARG  21  -5.437   7.564  -3.912
  166    HE   ARG  21           HE       ARG  21  -6.581   5.663  -2.355
  167   HH11  ARG  21          HH11      ARG  21  -5.983   9.090  -1.880
  168   HH12  ARG  21          HH12      ARG  21  -7.419   9.333  -0.923
  169   HH21  ARG  21          HH21      ARG  21  -8.449   5.982  -1.111
  170   HH22  ARG  21          HH22      ARG  21  -8.816   7.558  -0.479
  171    H    HIS  22           HN       HIS  22  -2.376   2.953  -0.985
  172    HA   HIS  22           HA       HIS  22  -3.612   1.120  -2.771
  173    HB2  HIS  22           HB2      HIS  22  -1.141   1.359  -2.160
  174    HB3  HIS  22           HB1      HIS  22  -1.520   0.380  -0.754
  175    HD1  HIS  22           HD1      HIS  22  -1.741   0.138  -4.562
  176    HD2  HIS  22           HD2      HIS  22  -1.478  -2.234  -1.158
  177    HE1  HIS  22           HE1      HIS  22  -1.522  -2.246  -5.369
  178    H    VAL  23           HN       VAL  23  -3.316   1.212   0.766
  179    HA   VAL  23           HA       VAL  23  -4.326  -1.381   1.059
  180    HB   VAL  23           HB       VAL  23  -4.310   0.829   3.127
  181   HG11  VAL  23          HG11      VAL  23  -5.901  -0.906   3.722
  182   HG12  VAL  23          HG12      VAL  23  -4.482  -1.003   4.766
  183   HG13  VAL  23          HG13      VAL  23  -4.682  -2.148   3.437
  184   HG21  VAL  23          HG21      VAL  23  -2.288  -0.262   3.960
  185   HG22  VAL  23          HG22      VAL  23  -2.079   0.263   2.289
  186   HG23  VAL  23          HG23      VAL  23  -2.376  -1.438   2.648
  187    H    ARG  24           HN       ARG  24  -5.849   1.803   1.029
  188    HA   ARG  24           HA       ARG  24  -8.470   1.015   1.618
  189    HB2  ARG  24           HB2      ARG  24  -7.409   3.243  -0.115
  190    HB3  ARG  24           HB1      ARG  24  -9.097   3.084   0.364
  191    HG2  ARG  24           HG2      ARG  24  -6.911   3.147   2.400
  192    HG3  ARG  24           HG1      ARG  24  -7.579   4.628   1.725
  193    HD2  ARG  24           HD2      ARG  24  -9.796   4.020   2.480
  194    HD3  ARG  24           HD1      ARG  24  -9.204   2.456   3.037
  195    HE   ARG  24           HE       ARG  24  -7.691   4.182   4.447
  196   HH11  ARG  24          HH11      ARG  24 -11.140   3.931   3.934
  197   HH12  ARG  24          HH12      ARG  24 -11.557   4.619   5.471
  198   HH21  ARG  24          HH21      ARG  24  -8.225   5.062   6.477
  199   HH22  ARG  24          HH22      ARG  24  -9.886   5.230   6.937
  200    H    ILE  25           HN       ILE  25  -6.550   0.645  -1.243
  201    HA   ILE  25           HA       ILE  25  -8.628   0.109  -3.084
  202    HB   ILE  25           HB       ILE  25  -5.708  -0.656  -3.034
  203   HG12  ILE  25          HG12      ILE  25  -7.223   1.331  -4.731
  204   HG13  ILE  25          HG11      ILE  25  -6.275   1.727  -3.312
  205   HG21  ILE  25          HG21      ILE  25  -6.846  -2.334  -4.322
  206   HG22  ILE  25          HG22      ILE  25  -5.955  -1.252  -5.395
  207   HG23  ILE  25          HG23      ILE  25  -7.701  -1.089  -5.233
  208   HD11  ILE  25          HD11      ILE  25  -4.263   0.912  -4.412
  209   HD12  ILE  25          HD12      ILE  25  -5.041   2.197  -5.340
  210   HD13  ILE  25          HD13      ILE  25  -5.216   0.515  -5.844
  211    H    HIS  26           HN       HIS  26  -6.653  -1.983  -0.982
  212    HA   HIS  26           HA       HIS  26  -7.796  -4.418  -1.903
  213    HB2  HIS  26           HB2      HIS  26  -6.190  -3.694   0.529
  214    HB3  HIS  26           HB1      HIS  26  -6.922  -5.286   0.383
  215    HD1  HIS  26           HD1      HIS  26  -6.272  -5.941  -2.577
  216    HD2  HIS  26           HD2      HIS  26  -3.613  -4.199   0.113
  217    HE1  HIS  26           HE1      HIS  26  -3.935  -6.493  -3.412
  218    H    THR  27           HN       THR  27  -8.529  -2.302   0.853
  219    HA   THR  27           HA       THR  27 -10.521  -4.048   1.908
  220    HB   THR  27           HB       THR  27  -9.395  -2.441   3.363
  221    HG1  THR  27           HG1      THR  27 -11.447  -1.412   4.207
  222   HG21  THR  27          HG21      THR  27 -10.878  -0.307   1.836
  223   HG22  THR  27          HG22      THR  27  -9.141  -0.601   1.763
  224   HG23  THR  27          HG23      THR  27  -9.880  -0.060   3.269
  225    H    GLY  28           HN       GLY  28 -10.524  -1.482  -0.466
  226    HA2  GLY  28           HA2      GLY  28 -12.097  -1.316  -2.191
  227    HA3  GLY  28           HA1      GLY  28 -13.178  -2.354  -1.275
  228    H    GLU  29           HN       GLU  29 -12.430  -0.385   1.039
  229    HA   GLU  29           HA       GLU  29 -14.814   0.996   1.168
  230    HB2  GLU  29           HB2      GLU  29 -12.154   1.717   2.402
  231    HB3  GLU  29           HB1      GLU  29 -13.698   2.413   2.877
  232    HG2  GLU  29           HG2      GLU  29 -14.489   0.243   3.591
  233    HG3  GLU  29           HG1      GLU  29 -12.989  -0.505   3.045
  234    H    LYS  30           HN       LYS  30 -11.681   2.186   0.041
  235    HA   LYS  30           HA       LYS  30 -13.111   4.299  -1.408
  236    HB2  LYS  30           HB2      LYS  30 -10.593   4.537   0.219
  237    HB3  LYS  30           HB1      LYS  30 -10.885   5.622  -1.131
  238    HG2  LYS  30           HG2      LYS  30 -11.620   6.788   0.756
  239    HG3  LYS  30           HG1      LYS  30 -13.092   6.186  -0.003
  240    HD2  LYS  30           HD2      LYS  30 -13.217   4.376   1.610
  241    HD3  LYS  30           HD1      LYS  30 -11.685   4.878   2.327
  242    HE2  LYS  30           HE2      LYS  30 -13.473   5.681   3.712
  243    HE3  LYS  30           HE1      LYS  30 -12.731   7.058   2.902
  244    HZ1  LYS  30           HZ1      LYS  30 -15.062   7.337   2.790
  245    HZ2  LYS  30           HZ2      LYS  30 -15.317   5.754   2.240
  246    HZ3  LYS  30           HZ3      LYS  30 -14.568   6.894   1.231
  Start of MODEL   18
    1    H1   MET   1           HT1      MET   1  11.636  -2.754   2.530
    2    H2   MET   1           HT2      MET   1  12.464  -1.755   1.446
    3    H3   MET   1           HT3      MET   1  10.969  -1.266   2.075
    4    HA   MET   1           HA       MET   1  11.857  -1.104   4.266
    5    HB2  MET   1           HB2      MET   1  14.301  -1.332   4.633
    6    HB3  MET   1           HB1      MET   1  13.521  -2.844   4.202
    7    HG2  MET   1           HG2      MET   1  14.339  -2.594   1.905
    8    HG3  MET   1           HG1      MET   1  15.148  -1.097   2.364
    9    HE1  MET   1           HE1      MET   1  15.023  -4.995   2.790
   10    HE2  MET   1           HE2      MET   1  14.785  -4.430   4.443
   11    HE3  MET   1           HE3      MET   1  16.273  -5.268   4.004
   12    H    LYS   2           HN       LYS   2  13.825  -0.171   1.413
   13    HA   LYS   2           HA       LYS   2  13.955   2.542   2.402
   14    HB2  LYS   2           HB2      LYS   2  14.923   1.352  -0.201
   15    HB3  LYS   2           HB1      LYS   2  15.194   3.016   0.303
   16    HG2  LYS   2           HG2      LYS   2  16.454   2.238   2.238
   17    HG3  LYS   2           HG1      LYS   2  16.174   0.564   1.757
   18    HD2  LYS   2           HD2      LYS   2  17.417   0.937  -0.305
   19    HD3  LYS   2           HD1      LYS   2  17.655   2.632   0.130
   20    HE2  LYS   2           HE2      LYS   2  18.917   1.953   2.107
   21    HE3  LYS   2           HE1      LYS   2  18.669   0.259   1.694
   22    HZ1  LYS   2           HZ1      LYS   2  20.850   1.047   1.011
   23    HZ2  LYS   2           HZ2      LYS   2  20.142   2.240   0.038
   24    HZ3  LYS   2           HZ3      LYS   2  19.923   0.600  -0.336
   25    HA   PRO   3           HA       PRO   3  10.505   3.140  -0.816
   26    HB2  PRO   3           HB2      PRO   3   9.735   1.148  -2.422
   27    HB3  PRO   3           HB1      PRO   3  11.100   2.192  -2.863
   28    HG2  PRO   3           HG2      PRO   3  11.123  -0.551  -1.654
   29    HG3  PRO   3           HG1      PRO   3  12.110   0.100  -2.973
   30    HD2  PRO   3           HD2      PRO   3  12.979  -0.095  -0.384
   31    HD3  PRO   3           HD1      PRO   3  13.584   1.113  -1.534
   32    H    TYR   4           HN       TYR   4   8.185   2.196  -0.951
   33    HA   TYR   4           HA       TYR   4   7.796   0.642   1.507
   34    HB2  TYR   4           HB2      TYR   4   6.074   2.813   0.274
   35    HB3  TYR   4           HB1      TYR   4   5.546   1.771   1.600
   36    HD1  TYR   4           HD1      TYR   4   7.842   4.465   0.642
   37    HD2  TYR   4           HD2      TYR   4   6.457   2.023   3.843
   38    HE1  TYR   4           HE1      TYR   4   8.887   5.994   2.256
   39    HE2  TYR   4           HE2      TYR   4   7.503   3.550   5.462
   40    HH   TYR   4           HH       TYR   4   8.734   6.641   4.530
   41    H    VAL   5           HN       VAL   5   7.026  -1.314   1.259
   42    HA   VAL   5           HA       VAL   5   5.761  -1.994  -1.290
   43    HB   VAL   5           HB       VAL   5   6.364  -4.300  -0.816
   44   HG11  VAL   5          HG11      VAL   5   8.806  -4.094  -0.973
   45   HG12  VAL   5          HG12      VAL   5   8.679  -2.403  -0.487
   46   HG13  VAL   5          HG13      VAL   5   7.971  -2.939  -2.011
   47   HG21  VAL   5          HG21      VAL   5   7.790  -4.869   1.109
   48   HG22  VAL   5          HG22      VAL   5   6.195  -4.299   1.601
   49   HG23  VAL   5          HG23      VAL   5   7.590  -3.226   1.718
   50    H    CYS   6           HN       CYS   6   3.837  -3.084  -1.370
   51    HA   CYS   6           HA       CYS   6   1.950  -2.624   0.669
   52    HB2  CYS   6           HB2      CYS   6   1.362  -2.927  -1.727
   53    HB3  CYS   6           HB1      CYS   6   1.774  -4.629  -1.594
   54    H    ILE   7           HN       ILE   7   1.655  -3.666   2.500
   55    HA   ILE   7           HA       ILE   7   3.158  -5.969   3.187
   56    HB   ILE   7           HB       ILE   7   0.915  -4.509   4.607
   57   HG12  ILE   7          HG12      ILE   7   2.867  -3.829   6.126
   58   HG13  ILE   7          HG11      ILE   7   3.927  -4.403   4.845
   59   HG21  ILE   7          HG21      ILE   7   1.629  -5.711   6.630
   60   HG22  ILE   7          HG22      ILE   7   2.708  -6.694   5.639
   61   HG23  ILE   7          HG23      ILE   7   0.964  -6.775   5.393
   62   HD11  ILE   7          HD11      ILE   7   3.584  -1.977   4.789
   63   HD12  ILE   7          HD12      ILE   7   1.858  -2.242   4.535
   64   HD13  ILE   7          HD13      ILE   7   3.020  -2.771   3.317
   65    H    HIS   8           HN       HIS   8   0.063  -5.408   1.797
   66    HA   HIS   8           HA       HIS   8  -1.083  -7.859   2.820
   67    HB2  HIS   8           HB2      HIS   8  -2.374  -5.697   2.508
   68    HB3  HIS   8           HB1      HIS   8  -2.313  -6.016   0.772
   69    HD1  HIS   8           HD1      HIS   8  -3.855  -7.275   3.963
   70    HD2  HIS   8           HD2      HIS   8  -4.069  -7.981  -0.130
   71    HE1  HIS   8           HE1      HIS   8  -5.870  -8.736   3.630
   72    HE2  HIS   8           HE2      HIS   8  -5.828  -9.343   1.185
   73    H    CYS   9           HN       CYS   9   0.092  -6.664  -0.345
   74    HA   CYS   9           HA       CYS   9  -0.313  -9.412  -1.306
   75    HB2  CYS   9           HB2      CYS   9  -1.029  -8.616  -3.408
   76    HB3  CYS   9           HB1      CYS   9  -1.927  -7.701  -2.211
   77    H    GLN  10           HN       GLN  10   1.942  -7.072  -0.658
   78    HA   GLN  10           HA       GLN  10   4.176  -6.930  -0.966
   79    HB2  GLN  10           HB2      GLN  10   3.798  -9.617  -2.297
   80    HB3  GLN  10           HB1      GLN  10   5.373  -8.883  -2.001
   81    HG2  GLN  10           HG2      GLN  10   5.124  -9.046   0.333
   82    HG3  GLN  10           HG1      GLN  10   3.397  -9.375   0.206
   83   HE21  GLN  10          HE21      GLN  10   2.695 -11.410  -0.362
   84   HE22  GLN  10          HE22      GLN  10   3.743 -12.804  -0.316
   85    H    ARG  11           HN       ARG  11   3.639  -5.091  -2.344
   86    HA   ARG  11           HA       ARG  11   4.888  -5.432  -4.946
   87    HB2  ARG  11           HB2      ARG  11   2.369  -5.366  -5.216
   88    HB3  ARG  11           HB1      ARG  11   2.428  -3.728  -4.555
   89    HG2  ARG  11           HG2      ARG  11   4.035  -3.165  -6.371
   90    HG3  ARG  11           HG1      ARG  11   3.663  -4.730  -7.087
   91    HD2  ARG  11           HD2      ARG  11   1.720  -2.485  -6.560
   92    HD3  ARG  11           HD1      ARG  11   2.339  -2.987  -8.132
   93    HE   ARG  11           HE       ARG  11   1.028  -5.126  -6.765
   94   HH11  ARG  11          HH11      ARG  11   0.518  -2.283  -8.752
   95   HH12  ARG  11          HH12      ARG  11  -1.043  -2.802  -9.313
   96   HH21  ARG  11          HH21      ARG  11  -1.044  -5.796  -7.482
   97   HH22  ARG  11          HH22      ARG  11  -1.941  -4.780  -8.577
   98    H    GLN  12           HN       GLN  12   6.068  -3.572  -5.587
   99    HA   GLN  12           HA       GLN  12   6.888  -1.983  -3.296
  100    HB2  GLN  12           HB2      GLN  12   8.043  -2.252  -6.070
  101    HB3  GLN  12           HB1      GLN  12   8.767  -1.332  -4.764
  102    HG2  GLN  12           HG2      GLN  12   9.121  -3.302  -3.472
  103    HG3  GLN  12           HG1      GLN  12   8.200  -4.271  -4.616
  104   HE21  GLN  12          HE21      GLN  12  10.434  -1.779  -5.601
  105   HE22  GLN  12          HE22      GLN  12  11.641  -2.847  -6.257
  106    H    PHE  13           HN       PHE  13   6.420   0.079  -2.969
  107    HA   PHE  13           HA       PHE  13   5.600   1.732  -5.267
  108    HB2  PHE  13           HB2      PHE  13   4.353   1.666  -2.513
  109    HB3  PHE  13           HB1      PHE  13   4.046   2.944  -3.697
  110    HD1  PHE  13           HD1      PHE  13   2.930   2.369  -5.847
  111    HD2  PHE  13           HD2      PHE  13   3.271  -0.409  -2.640
  112    HE1  PHE  13           HE1      PHE  13   1.128   1.015  -6.829
  113    HE2  PHE  13           HE2      PHE  13   1.473  -1.766  -3.617
  114    HZ   PHE  13           HZ       PHE  13   0.432  -1.062  -5.766
  115    H    ALA  14           HN       ALA  14   5.694   4.139  -4.644
  116    HA   ALA  14           HA       ALA  14   8.451   4.489  -3.722
  117    HB1  ALA  14           HB1      ALA  14   8.448   6.512  -5.040
  118    HB2  ALA  14           HB2      ALA  14   6.722   6.327  -5.355
  119    HB3  ALA  14           HB3      ALA  14   7.871   5.155  -6.009
  120    H    ASP  15           HN       ASP  15   5.456   4.892  -2.377
  121    HA   ASP  15           HA       ASP  15   6.439   6.858  -0.480
  122    HB2  ASP  15           HB2      ASP  15   5.228   8.006  -2.564
  123    HB3  ASP  15           HB1      ASP  15   3.800   7.493  -1.708
  124    HA   PRO  16           HA       PRO  16   3.555   4.616   2.187
  125    HB2  PRO  16           HB2      PRO  16   3.374   7.154   3.688
  126    HB3  PRO  16           HB1      PRO  16   3.905   5.562   4.240
  127    HG2  PRO  16           HG2      PRO  16   5.647   7.567   3.889
  128    HG3  PRO  16           HG1      PRO  16   6.073   5.884   3.524
  129    HD2  PRO  16           HD2      PRO  16   5.298   8.090   1.647
  130    HD3  PRO  16           HD1      PRO  16   6.564   6.857   1.467
  131    H    GLY  17           HN       GLY  17   3.131   7.749   0.782
  132    HA2  GLY  17           HA2      GLY  17   0.402   8.194   1.057
  133    HA3  GLY  17           HA1      GLY  17   1.393   8.688  -0.322
  134    H    ALA  18           HN       ALA  18   2.124   6.370  -1.458
  135    HA   ALA  18           HA       ALA  18  -0.282   5.569  -2.758
  136    HB1  ALA  18           HB1      ALA  18   2.492   4.426  -2.992
  137    HB2  ALA  18           HB2      ALA  18   1.781   5.673  -4.020
  138    HB3  ALA  18           HB3      ALA  18   1.122   4.034  -4.030
  139    H    LEU  19           HN       LEU  19   1.567   4.336  -0.087
  140    HA   LEU  19           HA       LEU  19   0.564   1.679  -0.248
  141    HB2  LEU  19           HB2      LEU  19   2.240   3.239   1.599
  142    HB3  LEU  19           HB1      LEU  19   1.225   2.036   2.389
  143    HG   LEU  19           HG       LEU  19   3.507   1.220   1.842
  144   HD11  LEU  19          HD11      LEU  19   2.777  -0.904   0.892
  145   HD12  LEU  19          HD12      LEU  19   1.253  -0.166   0.396
  146   HD13  LEU  19          HD13      LEU  19   1.639  -0.328   2.110
  147   HD21  LEU  19          HD21      LEU  19   3.828   2.450  -0.238
  148   HD22  LEU  19          HD22      LEU  19   2.555   1.501  -1.003
  149   HD23  LEU  19          HD23      LEU  19   4.047   0.718  -0.485
  150    H    GLN  20           HN       GLN  20  -0.361   4.676   1.300
  151    HA   GLN  20           HA       GLN  20  -2.408   3.390   2.746
  152    HB2  GLN  20           HB2      GLN  20  -2.960   5.481   3.686
  153    HB3  GLN  20           HB1      GLN  20  -1.222   5.514   3.450
  154    HG2  GLN  20           HG2      GLN  20  -1.508   6.800   1.411
  155    HG3  GLN  20           HG1      GLN  20  -3.256   6.792   1.651
  156   HE21  GLN  20          HE21      GLN  20  -4.138   7.996   3.335
  157   HE22  GLN  20          HE22      GLN  20  -3.257   9.263   4.121
  158    H    ARG  21           HN       ARG  21  -2.131   5.116  -0.170
  159    HA   ARG  21           HA       ARG  21  -4.877   5.194  -0.892
  160    HB2  ARG  21           HB2      ARG  21  -2.387   5.871  -2.103
  161    HB3  ARG  21           HB1      ARG  21  -3.223   4.792  -3.211
  162    HG2  ARG  21           HG2      ARG  21  -3.799   7.010  -3.802
  163    HG3  ARG  21           HG1      ARG  21  -5.215   6.296  -3.026
  164    HD2  ARG  21           HD2      ARG  21  -4.525   7.373  -0.905
  165    HD3  ARG  21           HD1      ARG  21  -3.218   8.172  -1.777
  166    HE   ARG  21           HE       ARG  21  -5.737   8.663  -3.010
  167   HH11  ARG  21          HH11      ARG  21  -3.611   9.688  -0.428
  168   HH12  ARG  21          HH12      ARG  21  -4.425  11.205  -0.183
  169   HH21  ARG  21          HH21      ARG  21  -6.794  10.662  -2.726
  170   HH22  ARG  21          HH22      ARG  21  -6.220  11.777  -1.519
  171    H    HIS  22           HN       HIS  22  -2.334   2.837  -1.077
  172    HA   HIS  22           HA       HIS  22  -3.629   1.048  -2.886
  173    HB2  HIS  22           HB2      HIS  22  -1.145   1.256  -2.338
  174    HB3  HIS  22           HB1      HIS  22  -1.495   0.296  -0.917
  175    HD1  HIS  22           HD1      HIS  22  -2.027  -0.012  -4.699
  176    HD2  HIS  22           HD2      HIS  22  -1.286  -2.281  -1.297
  177    HE1  HIS  22           HE1      HIS  22  -1.696  -2.391  -5.491
  178    H    VAL  23           HN       VAL  23  -3.170   1.098   0.630
  179    HA   VAL  23           HA       VAL  23  -4.265  -1.453   0.957
  180    HB   VAL  23           HB       VAL  23  -3.972   0.763   2.999
  181   HG11  VAL  23          HG11      VAL  23  -5.714  -0.832   3.682
  182   HG12  VAL  23          HG12      VAL  23  -4.282  -0.952   4.703
  183   HG13  VAL  23          HG13      VAL  23  -4.576  -2.161   3.452
  184   HG21  VAL  23          HG21      VAL  23  -2.037  -0.542   3.756
  185   HG22  VAL  23          HG22      VAL  23  -1.857  -0.037   2.075
  186   HG23  VAL  23          HG23      VAL  23  -2.310  -1.700   2.455
  187    H    ARG  24           HN       ARG  24  -5.659   1.785   0.995
  188    HA   ARG  24           HA       ARG  24  -8.281   1.105   1.701
  189    HB2  ARG  24           HB2      ARG  24  -7.256   3.302  -0.098
  190    HB3  ARG  24           HB1      ARG  24  -8.914   3.187   0.481
  191    HG2  ARG  24           HG2      ARG  24  -8.025   3.266   2.805
  192    HG3  ARG  24           HG1      ARG  24  -6.431   3.578   2.128
  193    HD2  ARG  24           HD2      ARG  24  -7.741   5.611   2.869
  194    HD3  ARG  24           HD1      ARG  24  -7.092   5.651   1.230
  195    HE   ARG  24           HE       ARG  24  -9.365   5.048   0.467
  196   HH11  ARG  24          HH11      ARG  24  -8.984   6.516   3.635
  197   HH12  ARG  24          HH12      ARG  24 -10.580   7.198   3.634
  198   HH21  ARG  24          HH21      ARG  24 -11.456   5.911   0.492
  199   HH22  ARG  24          HH22      ARG  24 -11.990   6.860   1.850
  200    H    ILE  25           HN       ILE  25  -6.518   0.694  -1.275
  201    HA   ILE  25           HA       ILE  25  -8.739   0.183  -2.962
  202    HB   ILE  25           HB       ILE  25  -5.824  -0.550  -3.141
  203   HG12  ILE  25          HG12      ILE  25  -6.258   1.775  -3.472
  204   HG13  ILE  25          HG11      ILE  25  -5.887   1.069  -5.031
  205   HG21  ILE  25          HG21      ILE  25  -7.985  -1.138  -5.131
  206   HG22  ILE  25          HG22      ILE  25  -6.946  -2.298  -4.299
  207   HG23  ILE  25          HG23      ILE  25  -6.262  -1.184  -5.483
  208   HD11  ILE  25          HD11      ILE  25  -8.644   1.706  -4.013
  209   HD12  ILE  25          HD12      ILE  25  -8.246   1.037  -5.596
  210   HD13  ILE  25          HD13      ILE  25  -7.720   2.665  -5.169
  211    H    HIS  26           HN       HIS  26  -6.574  -1.921  -1.080
  212    HA   HIS  26           HA       HIS  26  -7.843  -4.362  -1.749
  213    HB2  HIS  26           HB2      HIS  26  -6.106  -3.523   0.559
  214    HB3  HIS  26           HB1      HIS  26  -6.820  -5.126   0.497
  215    HD1  HIS  26           HD1      HIS  26  -6.297  -5.823  -2.498
  216    HD2  HIS  26           HD2      HIS  26  -3.530  -4.077   0.085
  217    HE1  HIS  26           HE1      HIS  26  -3.985  -6.421  -3.392
  218    H    THR  27           HN       THR  27  -8.527  -1.882   0.596
  219    HA   THR  27           HA       THR  27 -10.532  -3.541   1.910
  220    HB   THR  27           HB       THR  27  -9.988  -0.661   2.591
  221    HG1  THR  27           HG1      THR  27  -7.949  -1.708   2.582
  222   HG21  THR  27          HG21      THR  27 -11.883  -1.788   3.675
  223   HG22  THR  27          HG22      THR  27 -10.611  -1.413   4.839
  224   HG23  THR  27          HG23      THR  27 -10.798  -3.061   4.239
  225    H    GLY  28           HN       GLY  28 -10.914  -2.814  -0.851
  226    HA2  GLY  28           HA2      GLY  28 -12.948  -0.746  -0.885
  227    HA3  GLY  28           HA1      GLY  28 -12.425  -1.726  -2.249
  228    H    GLU  29           HN       GLU  29 -13.946  -2.242   0.909
  229    HA   GLU  29           HA       GLU  29 -15.498  -4.443  -0.179
  230    HB2  GLU  29           HB2      GLU  29 -15.191  -3.353   2.621
  231    HB3  GLU  29           HB1      GLU  29 -16.196  -4.736   2.208
  232    HG2  GLU  29           HG2      GLU  29 -14.270  -5.970   1.455
  233    HG3  GLU  29           HG1      GLU  29 -13.232  -4.569   1.710
  234    H    LYS  30           HN       LYS  30 -15.871  -1.127   0.531
  235    HA   LYS  30           HA       LYS  30 -18.780  -1.366   0.154
  236    HB2  LYS  30           HB2      LYS  30 -17.246   0.771   1.646
  237    HB3  LYS  30           HB1      LYS  30 -18.983   0.783   1.367
  238    HG2  LYS  30           HG2      LYS  30 -19.239  -1.222   2.703
  239    HG3  LYS  30           HG1      LYS  30 -17.491  -1.315   2.930
  240    HD2  LYS  30           HD2      LYS  30 -17.524   0.831   4.098
  241    HD3  LYS  30           HD1      LYS  30 -19.268   0.941   3.860
  242    HE2  LYS  30           HE2      LYS  30 -17.815  -1.174   5.445
  243    HE3  LYS  30           HE1      LYS  30 -18.739   0.173   6.111
  244    HZ1  LYS  30           HZ1      LYS  30 -20.136  -1.698   6.179
  245    HZ2  LYS  30           HZ2      LYS  30 -19.755  -2.164   4.596
  246    HZ3  LYS  30           HZ3      LYS  30 -20.695  -0.774   4.868
  Start of MODEL   19
    1    H1   MET   1           HT1      MET   1  15.631   5.425  -2.678
    2    H2   MET   1           HT2      MET   1  14.420   4.530  -3.452
    3    H3   MET   1           HT3      MET   1  15.988   4.563  -4.095
    4    HA   MET   1           HA       MET   1  15.575   2.481  -2.980
    5    HB2  MET   1           HB2      MET   1  17.479   4.295  -1.475
    6    HB3  MET   1           HB1      MET   1  17.474   2.539  -1.375
    7    HG2  MET   1           HG2      MET   1  18.008   2.394  -3.748
    8    HG3  MET   1           HG1      MET   1  17.997   4.153  -3.863
    9    HE1  MET   1           HE1      MET   1  20.392   4.150  -4.943
   10    HE2  MET   1           HE2      MET   1  20.437   2.387  -4.865
   11    HE3  MET   1           HE3      MET   1  21.790   3.332  -4.245
   12    H    LYS   2           HN       LYS   2  15.492   1.459  -0.746
   13    HA   LYS   2           HA       LYS   2  14.103   0.953   0.979
   14    HB2  LYS   2           HB2      LYS   2  14.551   3.891   1.494
   15    HB3  LYS   2           HB1      LYS   2  13.610   2.879   2.581
   16    HG2  LYS   2           HG2      LYS   2  16.470   2.339   1.814
   17    HG3  LYS   2           HG1      LYS   2  15.968   3.191   3.276
   18    HD2  LYS   2           HD2      LYS   2  14.707   1.205   3.981
   19    HD3  LYS   2           HD1      LYS   2  15.248   0.357   2.529
   20    HE2  LYS   2           HE2      LYS   2  17.564   0.563   3.256
   21    HE3  LYS   2           HE1      LYS   2  17.047   1.454   4.689
   22    HZ1  LYS   2           HZ1      LYS   2  16.271  -1.338   4.043
   23    HZ2  LYS   2           HZ2      LYS   2  15.861  -0.482   5.450
   24    HZ3  LYS   2           HZ3      LYS   2  17.476  -0.895   5.154
   25    HA   PRO   3           HA       PRO   3  10.437   2.507  -1.380
   26    HB2  PRO   3           HB2      PRO   3   9.520   0.151  -2.269
   27    HB3  PRO   3           HB1      PRO   3  10.863   0.981  -3.077
   28    HG2  PRO   3           HG2      PRO   3  10.931  -1.288  -1.128
   29    HG3  PRO   3           HG1      PRO   3  11.843  -1.071  -2.629
   30    HD2  PRO   3           HD2      PRO   3  12.862  -0.540  -0.145
   31    HD3  PRO   3           HD1      PRO   3  13.416   0.267  -1.625
   32    H    TYR   4           HN       TYR   4   8.138   1.810  -1.175
   33    HA   TYR   4           HA       TYR   4   7.611   0.827   1.540
   34    HB2  TYR   4           HB2      TYR   4   6.013   2.814  -0.119
   35    HB3  TYR   4           HB1      TYR   4   5.597   2.244   1.498
   36    HD1  TYR   4           HD1      TYR   4   7.872   4.357  -0.440
   37    HD2  TYR   4           HD2      TYR   4   6.795   3.024   3.454
   38    HE1  TYR   4           HE1      TYR   4   9.194   6.181   0.543
   39    HE2  TYR   4           HE2      TYR   4   8.115   4.842   4.450
   40    HH   TYR   4           HH       TYR   4   9.275   7.470   2.638
   41    H    VAL   5           HN       VAL   5   7.110  -1.253   1.275
   42    HA   VAL   5           HA       VAL   5   5.809  -2.103  -1.172
   43    HB   VAL   5           HB       VAL   5   6.410  -4.332  -0.581
   44   HG11  VAL   5          HG11      VAL   5   8.820  -4.160  -0.460
   45   HG12  VAL   5          HG12      VAL   5   8.693  -2.507   0.141
   46   HG13  VAL   5          HG13      VAL   5   8.171  -2.889  -1.499
   47   HG21  VAL   5          HG21      VAL   5   7.315  -3.271   2.097
   48   HG22  VAL   5          HG22      VAL   5   7.499  -4.929   1.520
   49   HG23  VAL   5          HG23      VAL   5   5.889  -4.269   1.811
   50    H    CYS   6           HN       CYS   6   3.880  -3.061  -1.330
   51    HA   CYS   6           HA       CYS   6   1.868  -2.646   0.598
   52    HB2  CYS   6           HB2      CYS   6   1.569  -2.968  -1.895
   53    HB3  CYS   6           HB1      CYS   6   1.839  -4.681  -1.635
   54    H    ILE   7           HN       ILE   7   1.560  -3.732   2.429
   55    HA   ILE   7           HA       ILE   7   2.984  -6.099   3.068
   56    HB   ILE   7           HB       ILE   7   0.729  -4.670   4.499
   57   HG12  ILE   7          HG12      ILE   7   2.662  -4.061   6.076
   58   HG13  ILE   7          HG11      ILE   7   3.732  -4.563   4.773
   59   HG21  ILE   7          HG21      ILE   7   2.532  -6.839   5.530
   60   HG22  ILE   7          HG22      ILE   7   0.820  -7.003   5.149
   61   HG23  ILE   7          HG23      ILE   7   1.330  -5.951   6.467
   62   HD11  ILE   7          HD11      ILE   7   2.855  -2.853   3.333
   63   HD12  ILE   7          HD12      ILE   7   3.351  -2.130   4.867
   64   HD13  ILE   7          HD13      ILE   7   1.643  -2.413   4.537
   65    H    HIS   8           HN       HIS   8   0.009  -5.445   1.517
   66    HA   HIS   8           HA       HIS   8  -1.298  -7.846   2.489
   67    HB2  HIS   8           HB2      HIS   8  -2.440  -5.586   2.113
   68    HB3  HIS   8           HB1      HIS   8  -2.382  -5.973   0.393
   69    HD1  HIS   8           HD1      HIS   8  -4.352  -6.492   3.418
   70    HD2  HIS   8           HD2      HIS   8  -3.927  -8.376  -0.270
   71    HE1  HIS   8           HE1      HIS   8  -6.389  -7.948   3.156
   72    HE2  HIS   8           HE2      HIS   8  -6.058  -9.164   0.968
   73    H    CYS   9           HN       CYS   9   0.186  -6.701  -0.547
   74    HA   CYS   9           HA       CYS   9  -0.290  -9.408  -1.591
   75    HB2  CYS   9           HB2      CYS   9  -0.801  -8.537  -3.740
   76    HB3  CYS   9           HB1      CYS   9  -1.746  -7.609  -2.598
   77    H    GLN  10           HN       GLN  10   1.956  -7.156  -0.712
   78    HA   GLN  10           HA       GLN  10   4.200  -7.114  -0.721
   79    HB2  GLN  10           HB2      GLN  10   3.893  -9.815  -2.022
   80    HB3  GLN  10           HB1      GLN  10   5.448  -9.131  -1.543
   81    HG2  GLN  10           HG2      GLN  10   4.650  -9.001   0.777
   82    HG3  GLN  10           HG1      GLN  10   3.128  -9.734   0.279
   83   HE21  GLN  10          HE21      GLN  10   6.196 -10.700  -1.071
   84   HE22  GLN  10          HE22      GLN  10   6.251 -12.267  -0.314
   85    H    ARG  11           HN       ARG  11   3.270  -5.464  -2.464
   86    HA   ARG  11           HA       ARG  11   5.137  -5.680  -4.698
   87    HB2  ARG  11           HB2      ARG  11   2.246  -4.885  -4.728
   88    HB3  ARG  11           HB1      ARG  11   3.363  -4.232  -5.920
   89    HG2  ARG  11           HG2      ARG  11   3.894  -6.433  -6.715
   90    HG3  ARG  11           HG1      ARG  11   2.944  -7.167  -5.424
   91    HD2  ARG  11           HD2      ARG  11   0.907  -6.250  -6.357
   92    HD3  ARG  11           HD1      ARG  11   1.832  -5.391  -7.592
   93    HE   ARG  11           HE       ARG  11   2.374  -7.495  -8.595
   94   HH11  ARG  11          HH11      ARG  11  -0.037  -7.665  -6.058
   95   HH12  ARG  11          HH12      ARG  11  -0.653  -9.200  -6.572
   96   HH21  ARG  11          HH21      ARG  11   1.553  -9.510  -9.281
   97   HH22  ARG  11          HH22      ARG  11   0.261 -10.266  -8.387
   98    H    GLN  12           HN       GLN  12   6.228  -3.762  -5.215
   99    HA   GLN  12           HA       GLN  12   6.448  -2.088  -2.860
  100    HB2  GLN  12           HB2      GLN  12   8.207  -2.018  -5.300
  101    HB3  GLN  12           HB1      GLN  12   8.597  -1.530  -3.660
  102    HG2  GLN  12           HG2      GLN  12   8.340  -3.923  -2.975
  103    HG3  GLN  12           HG1      GLN  12   8.195  -4.323  -4.683
  104   HE21  GLN  12          HE21      GLN  12  10.166  -5.180  -2.761
  105   HE22  GLN  12          HE22      GLN  12  11.712  -4.686  -3.398
  106    H    PHE  13           HN       PHE  13   6.060   0.021  -2.715
  107    HA   PHE  13           HA       PHE  13   5.471   1.535  -5.174
  108    HB2  PHE  13           HB2      PHE  13   4.084   1.629  -2.493
  109    HB3  PHE  13           HB1      PHE  13   3.972   2.957  -3.658
  110    HD1  PHE  13           HD2      PHE  13   3.051  -0.505  -2.942
  111    HD2  PHE  13           HD1      PHE  13   2.726   2.711  -5.709
  112    HE1  PHE  13           HE2      PHE  13   1.210  -1.677  -4.080
  113    HE2  PHE  13           HE1      PHE  13   0.881   1.552  -6.846
  114    HZ   PHE  13           HZ       PHE  13   0.164  -0.652  -6.092
  115    H    ALA  14           HN       ALA  14   5.650   3.986  -4.695
  116    HA   ALA  14           HA       ALA  14   8.398   4.317  -3.762
  117    HB1  ALA  14           HB1      ALA  14   8.390   6.374  -5.008
  118    HB2  ALA  14           HB2      ALA  14   6.648   6.256  -5.258
  119    HB3  ALA  14           HB3      ALA  14   7.732   5.084  -6.018
  120    H    ASP  15           HN       ASP  15   5.165   5.488  -3.068
  121    HA   ASP  15           HA       ASP  15   6.271   7.293  -1.006
  122    HB2  ASP  15           HB2      ASP  15   4.644   8.027  -3.056
  123    HB3  ASP  15           HB1      ASP  15   3.468   7.562  -1.861
  124    HA   PRO  16           HA       PRO  16   3.868   4.992   2.032
  125    HB2  PRO  16           HB2      PRO  16   3.740   7.501   3.554
  126    HB3  PRO  16           HB1      PRO  16   4.565   5.995   3.970
  127    HG2  PRO  16           HG2      PRO  16   5.922   8.232   3.318
  128    HG3  PRO  16           HG1      PRO  16   6.519   6.615   2.895
  129    HD2  PRO  16           HD2      PRO  16   5.046   8.598   1.191
  130    HD3  PRO  16           HD1      PRO  16   6.473   7.631   0.774
  131    H    GLY  17           HN       GLY  17   3.148   8.078   0.664
  132    HA2  GLY  17           HA2      GLY  17   0.432   8.387   1.239
  133    HA3  GLY  17           HA1      GLY  17   1.269   8.974  -0.204
  134    H    ALA  18           HN       ALA  18   2.093   6.548  -1.275
  135    HA   ALA  18           HA       ALA  18  -0.356   5.832  -2.574
  136    HB1  ALA  18           HB1      ALA  18   0.994   4.451  -4.016
  137    HB2  ALA  18           HB2      ALA  18   2.396   4.693  -2.977
  138    HB3  ALA  18           HB3      ALA  18   1.708   6.056  -3.862
  139    H    LEU  19           HN       LEU  19   1.586   4.449  -0.013
  140    HA   LEU  19           HA       LEU  19   0.589   1.816  -0.369
  141    HB2  LEU  19           HB2      LEU  19   2.137   3.229   1.736
  142    HB3  LEU  19           HB1      LEU  19   1.250   1.790   2.219
  143    HG   LEU  19           HG       LEU  19   3.507   2.007   0.241
  144   HD11  LEU  19          HD11      LEU  19   3.062   0.397   2.747
  145   HD12  LEU  19          HD12      LEU  19   4.128   1.792   2.569
  146   HD13  LEU  19          HD13      LEU  19   4.482   0.294   1.704
  147   HD21  LEU  19          HD21      LEU  19   3.150  -0.412  -0.175
  148   HD22  LEU  19          HD22      LEU  19   1.863   0.602  -0.816
  149   HD23  LEU  19          HD23      LEU  19   1.612  -0.297   0.679
  150    H    GLN  20           HN       GLN  20  -0.333   4.659   1.474
  151    HA   GLN  20           HA       GLN  20  -2.344   3.196   2.785
  152    HB2  GLN  20           HB2      GLN  20  -1.899   6.161   2.672
  153    HB3  GLN  20           HB1      GLN  20  -3.107   5.384   3.689
  154    HG2  GLN  20           HG2      GLN  20  -1.187   4.063   4.694
  155    HG3  GLN  20           HG1      GLN  20  -0.121   5.202   3.874
  156   HE21  GLN  20          HE21      GLN  20  -1.911   7.466   4.253
  157   HE22  GLN  20          HE22      GLN  20  -1.824   7.887   5.932
  158    H    ARG  21           HN       ARG  21  -2.157   5.181   0.027
  159    HA   ARG  21           HA       ARG  21  -4.918   5.262  -0.610
  160    HB2  ARG  21           HB2      ARG  21  -2.470   6.051  -1.831
  161    HB3  ARG  21           HB1      ARG  21  -3.313   5.024  -2.981
  162    HG2  ARG  21           HG2      ARG  21  -4.459   7.472  -1.657
  163    HG3  ARG  21           HG1      ARG  21  -3.835   7.386  -3.305
  164    HD2  ARG  21           HD2      ARG  21  -5.553   5.862  -3.948
  165    HD3  ARG  21           HD1      ARG  21  -6.089   5.676  -2.279
  166    HE   ARG  21           HE       ARG  21  -6.213   8.375  -3.299
  167   HH11  ARG  21          HH11      ARG  21  -7.904   5.338  -2.973
  168   HH12  ARG  21          HH12      ARG  21  -9.485   6.059  -2.994
  169   HH21  ARG  21          HH21      ARG  21  -8.270   9.345  -3.361
  170   HH22  ARG  21          HH22      ARG  21  -9.699   8.352  -3.239
  171    H    HIS  22           HN       HIS  22  -2.323   2.987  -1.059
  172    HA   HIS  22           HA       HIS  22  -3.680   1.288  -2.912
  173    HB2  HIS  22           HB2      HIS  22  -1.194   1.479  -2.602
  174    HB3  HIS  22           HB1      HIS  22  -1.372   0.547  -1.132
  175    HD1  HIS  22           HD1      HIS  22  -2.281   0.157  -4.820
  176    HD2  HIS  22           HD2      HIS  22  -1.177  -2.056  -1.488
  177    HE1  HIS  22           HE1      HIS  22  -2.109  -2.241  -5.593
  178    H    VAL  23           HN       VAL  23  -3.020   1.110   0.566
  179    HA   VAL  23           HA       VAL  23  -4.005  -1.497   0.753
  180    HB   VAL  23           HB       VAL  23  -3.685   0.563   2.942
  181   HG11  VAL  23          HG11      VAL  23  -4.178  -2.408   3.162
  182   HG12  VAL  23          HG12      VAL  23  -5.313  -1.135   3.609
  183   HG13  VAL  23          HG13      VAL  23  -3.808  -1.324   4.505
  184   HG21  VAL  23          HG21      VAL  23  -1.602  -0.083   1.816
  185   HG22  VAL  23          HG22      VAL  23  -1.962  -1.781   2.129
  186   HG23  VAL  23          HG23      VAL  23  -1.649  -0.685   3.474
  187    H    ARG  24           HN       ARG  24  -5.517   1.643   0.951
  188    HA   ARG  24           HA       ARG  24  -8.063   0.653   1.792
  189    HB2  ARG  24           HB2      ARG  24  -7.346   3.275   0.474
  190    HB3  ARG  24           HB1      ARG  24  -8.911   2.887   1.179
  191    HG2  ARG  24           HG2      ARG  24  -7.552   2.407   3.327
  192    HG3  ARG  24           HG1      ARG  24  -6.296   3.362   2.541
  193    HD2  ARG  24           HD2      ARG  24  -9.115   4.252   3.130
  194    HD3  ARG  24           HD1      ARG  24  -7.662   4.750   3.995
  195    HE   ARG  24           HE       ARG  24  -6.985   5.638   1.667
  196   HH11  ARG  24          HH11      ARG  24 -10.230   5.575   2.952
  197   HH12  ARG  24          HH12      ARG  24 -10.750   6.991   2.091
  198   HH21  ARG  24          HH21      ARG  24  -7.645   7.494   0.514
  199   HH22  ARG  24          HH22      ARG  24  -9.271   8.082   0.693
  200    H    ILE  25           HN       ILE  25  -6.365   0.450  -1.103
  201    HA   ILE  25           HA       ILE  25  -8.649   0.190  -2.822
  202    HB   ILE  25           HB       ILE  25  -5.758  -0.615  -3.114
  203   HG12  ILE  25          HG12      ILE  25  -7.426   1.447  -4.565
  204   HG13  ILE  25          HG11      ILE  25  -6.304   1.775  -3.260
  205   HG21  ILE  25          HG21      ILE  25  -6.278  -1.138  -5.459
  206   HG22  ILE  25          HG22      ILE  25  -7.995  -0.991  -5.077
  207   HG23  ILE  25          HG23      ILE  25  -7.022  -2.253  -4.310
  208   HD11  ILE  25          HD11      ILE  25  -4.461   0.941  -4.639
  209   HD12  ILE  25          HD12      ILE  25  -5.298   2.307  -5.384
  210   HD13  ILE  25          HD13      ILE  25  -5.601   0.668  -5.959
  211    H    HIS  26           HN       HIS  26  -6.385  -2.070  -1.243
  212    HA   HIS  26           HA       HIS  26  -7.775  -4.434  -1.967
  213    HB2  HIS  26           HB2      HIS  26  -5.865  -3.849   0.297
  214    HB3  HIS  26           HB1      HIS  26  -6.570  -5.432   0.043
  215    HD1  HIS  26           HD1      HIS  26  -6.103  -5.778  -3.024
  216    HD2  HIS  26           HD2      HIS  26  -3.343  -4.234  -0.311
  217    HE1  HIS  26           HE1      HIS  26  -3.772  -6.294  -3.966
  218    H    THR  27           HN       THR  27  -7.735  -2.505   1.011
  219    HA   THR  27           HA       THR  27 -10.033  -4.061   1.986
  220    HB   THR  27           HB       THR  27  -8.165  -2.472   3.739
  221    HG1  THR  27           HG1      THR  27  -7.874  -5.133   2.738
  222   HG21  THR  27          HG21      THR  27  -9.891  -4.904   4.251
  223   HG22  THR  27          HG22      THR  27 -10.288  -3.250   4.717
  224   HG23  THR  27          HG23      THR  27  -8.905  -4.062   5.448
  225    H    GLY  28           HN       GLY  28 -10.684  -2.085   0.277
  226    HA2  GLY  28           HA2      GLY  28 -11.296   0.345   1.742
  227    HA3  GLY  28           HA1      GLY  28 -11.729  -0.013   0.073
  228    H    GLU  29           HN       GLU  29 -12.382  -1.512   3.214
  229    HA   GLU  29           HA       GLU  29 -14.846  -2.596   2.557
  230    HB2  GLU  29           HB2      GLU  29 -13.920  -1.695   5.278
  231    HB3  GLU  29           HB1      GLU  29 -15.193  -2.863   4.949
  232    HG2  GLU  29           HG2      GLU  29 -12.283  -3.192   4.258
  233    HG3  GLU  29           HG1      GLU  29 -13.124  -3.940   5.608
  234    H    LYS  30           HN       LYS  30 -14.116   0.446   4.198
  235    HA   LYS  30           HA       LYS  30 -16.759   1.439   3.403
  236    HB2  LYS  30           HB2      LYS  30 -15.414   1.835   6.083
  237    HB3  LYS  30           HB1      LYS  30 -16.807   2.759   5.542
  238    HG2  LYS  30           HG2      LYS  30 -18.109   0.685   5.388
  239    HG3  LYS  30           HG1      LYS  30 -16.712  -0.220   5.977
  240    HD2  LYS  30           HD2      LYS  30 -16.754   1.073   8.054
  241    HD3  LYS  30           HD1      LYS  30 -18.145   1.980   7.465
  242    HE2  LYS  30           HE2      LYS  30 -18.857   0.239   8.997
  243    HE3  LYS  30           HE1      LYS  30 -19.448  -0.096   7.370
  244    HZ1  LYS  30           HZ1      LYS  30 -17.756  -1.734   7.072
  245    HZ2  LYS  30           HZ2      LYS  30 -18.526  -2.058   8.545
  246    HZ3  LYS  30           HZ3      LYS  30 -17.005  -1.318   8.534
  Start of MODEL   20
    1    H1   MET   1           HT1      MET   1  13.206  -2.358   3.672
    2    H2   MET   1           HT2      MET   1  12.218  -2.961   4.908
    3    H3   MET   1           HT3      MET   1  13.606  -2.065   5.293
    4    HA   MET   1           HA       MET   1  11.198  -1.070   3.888
    5    HB2  MET   1           HB2      MET   1  12.212  -0.666   6.696
    6    HB3  MET   1           HB1      MET   1  11.055   0.423   5.951
    7    HG2  MET   1           HG2      MET   1   9.552  -1.537   5.611
    8    HG3  MET   1           HG1      MET   1  10.686  -2.497   6.556
    9    HE1  MET   1           HE1      MET   1  10.573  -0.593  10.008
   10    HE2  MET   1           HE2      MET   1  11.646  -0.235   8.655
   11    HE3  MET   1           HE3      MET   1  11.320  -1.910   9.103
   12    H    LYS   2           HN       LYS   2  12.855  -0.434   2.227
   13    HA   LYS   2           HA       LYS   2  13.710   2.285   2.968
   14    HB2  LYS   2           HB2      LYS   2  15.622   0.860   2.249
   15    HB3  LYS   2           HB1      LYS   2  14.836   0.641   0.689
   16    HG2  LYS   2           HG2      LYS   2  14.980   3.010   0.243
   17    HG3  LYS   2           HG1      LYS   2  15.669   3.295   1.841
   18    HD2  LYS   2           HD2      LYS   2  17.601   1.894   1.230
   19    HD3  LYS   2           HD1      LYS   2  16.917   1.687  -0.385
   20    HE2  LYS   2           HE2      LYS   2  17.015   4.110  -0.730
   21    HE3  LYS   2           HE1      LYS   2  17.705   4.309   0.881
   22    HZ1  LYS   2           HZ1      LYS   2  18.963   2.759  -1.318
   23    HZ2  LYS   2           HZ2      LYS   2  19.631   3.075   0.210
   24    HZ3  LYS   2           HZ3      LYS   2  19.381   4.346  -0.882
   25    HA   PRO   3           HA       PRO   3  10.843   2.601  -0.826
   26    HB2  PRO   3           HB2      PRO   3   9.967   0.394  -2.067
   27    HB3  PRO   3           HB1      PRO   3  11.511   1.143  -2.523
   28    HG2  PRO   3           HG2      PRO   3  11.002  -1.234  -0.775
   29    HG3  PRO   3           HG1      PRO   3  12.217  -1.018  -2.045
   30    HD2  PRO   3           HD2      PRO   3  12.745  -0.724   0.626
   31    HD3  PRO   3           HD1      PRO   3  13.646   0.120  -0.650
   32    H    TYR   4           HN       TYR   4   8.414   1.905  -1.088
   33    HA   TYR   4           HA       TYR   4   7.560   1.012   1.575
   34    HB2  TYR   4           HB2      TYR   4   6.108   2.947  -0.261
   35    HB3  TYR   4           HB1      TYR   4   5.704   2.541   1.407
   36    HD1  TYR   4           HD2      TYR   4   7.309   3.147   3.248
   37    HD2  TYR   4           HD1      TYR   4   7.737   4.626  -0.718
   38    HE1  TYR   4           HE2      TYR   4   8.835   4.889   4.071
   39    HE2  TYR   4           HE1      TYR   4   9.279   6.360   0.088
   40    HH   TYR   4           HH       TYR   4   9.884   7.508   2.076
   41    H    VAL   5           HN       VAL   5   7.024  -1.041   1.371
   42    HA   VAL   5           HA       VAL   5   5.804  -1.953  -1.112
   43    HB   VAL   5           HB       VAL   5   6.405  -4.196  -0.415
   44   HG11  VAL   5          HG11      VAL   5   8.692  -2.258  -0.103
   45   HG12  VAL   5          HG12      VAL   5   8.049  -2.867  -1.627
   46   HG13  VAL   5          HG13      VAL   5   8.836  -3.970  -0.499
   47   HG21  VAL   5          HG21      VAL   5   7.483  -2.889   2.084
   48   HG22  VAL   5          HG22      VAL   5   7.750  -4.570   1.621
   49   HG23  VAL   5          HG23      VAL   5   6.120  -4.005   1.986
   50    H    CYS   6           HN       CYS   6   3.999  -3.239  -1.174
   51    HA   CYS   6           HA       CYS   6   1.975  -2.722   0.787
   52    HB2  CYS   6           HB2      CYS   6   1.579  -2.975  -1.699
   53    HB3  CYS   6           HB1      CYS   6   1.872  -4.693  -1.506
   54    H    ILE   7           HN       ILE   7   1.465  -3.922   2.488
   55    HA   ILE   7           HA       ILE   7   2.992  -6.260   3.122
   56    HB   ILE   7           HB       ILE   7   0.742  -4.835   4.568
   57   HG12  ILE   7          HG12      ILE   7   2.684  -4.279   6.159
   58   HG13  ILE   7          HG11      ILE   7   3.747  -4.783   4.850
   59   HG21  ILE   7          HG21      ILE   7   2.507  -7.056   5.574
   60   HG22  ILE   7          HG22      ILE   7   0.795  -7.184   5.180
   61   HG23  ILE   7          HG23      ILE   7   1.316  -6.165   6.522
   62   HD11  ILE   7          HD11      ILE   7   3.480  -2.378   4.878
   63   HD12  ILE   7          HD12      ILE   7   1.729  -2.553   4.742
   64   HD13  ILE   7          HD13      ILE   7   2.772  -3.061   3.413
   65    H    HIS   8           HN       HIS   8   0.002  -5.539   1.633
   66    HA   HIS   8           HA       HIS   8  -1.325  -7.981   2.447
   67    HB2  HIS   8           HB2      HIS   8  -2.498  -5.777   2.115
   68    HB3  HIS   8           HB1      HIS   8  -2.243  -5.975   0.381
   69    HD1  HIS   8           HD1      HIS   8  -4.807  -6.328   2.718
   70    HD2  HIS   8           HD2      HIS   8  -3.407  -8.792  -0.329
   71    HE1  HIS   8           HE1      HIS   8  -6.714  -7.871   2.155
   72    HE2  HIS   8           HE2      HIS   8  -5.831  -9.396   0.350
   73    H    CYS   9           HN       CYS   9   0.113  -6.703  -0.579
   74    HA   CYS   9           HA       CYS   9  -0.326  -9.382  -1.695
   75    HB2  CYS   9           HB2      CYS   9  -0.800  -8.411  -3.818
   76    HB3  CYS   9           HB1      CYS   9  -1.794  -7.594  -2.628
   77    H    GLN  10           HN       GLN  10   1.974  -7.215  -0.741
   78    HA   GLN  10           HA       GLN  10   4.225  -7.231  -0.784
   79    HB2  GLN  10           HB2      GLN  10   3.859  -9.833  -2.270
   80    HB3  GLN  10           HB1      GLN  10   5.415  -9.217  -1.706
   81    HG2  GLN  10           HG2      GLN  10   4.508  -9.252   0.612
   82    HG3  GLN  10           HG1      GLN  10   3.055 -10.025  -0.023
   83   HE21  GLN  10          HE21      GLN  10   6.250 -10.644  -1.282
   84   HE22  GLN  10          HE22      GLN  10   6.379 -12.275  -0.695
   85    H    ARG  11           HN       ARG  11   3.353  -5.451  -2.431
   86    HA   ARG  11           HA       ARG  11   5.052  -5.712  -4.810
   87    HB2  ARG  11           HB2      ARG  11   2.487  -4.168  -4.417
   88    HB3  ARG  11           HB1      ARG  11   3.583  -3.872  -5.760
   89    HG2  ARG  11           HG2      ARG  11   2.167  -6.470  -5.195
   90    HG3  ARG  11           HG1      ARG  11   1.691  -5.279  -6.406
   91    HD2  ARG  11           HD2      ARG  11   4.185  -5.630  -7.205
   92    HD3  ARG  11           HD1      ARG  11   3.975  -7.183  -6.393
   93    HE   ARG  11           HE       ARG  11   2.074  -6.282  -8.453
   94   HH11  ARG  11          HH11      ARG  11   4.299  -8.688  -7.218
   95   HH12  ARG  11          HH12      ARG  11   3.951  -9.832  -8.481
   96   HH21  ARG  11          HH21      ARG  11   1.649  -7.772 -10.138
   97   HH22  ARG  11          HH22      ARG  11   2.471  -9.304 -10.146
   98    H    GLN  12           HN       GLN  12   6.046  -3.579  -5.455
   99    HA   GLN  12           HA       GLN  12   6.808  -2.162  -2.998
  100    HB2  GLN  12           HB2      GLN  12   8.325  -2.400  -5.605
  101    HB3  GLN  12           HB1      GLN  12   8.900  -1.658  -4.127
  102    HG2  GLN  12           HG2      GLN  12   8.704  -3.872  -3.009
  103    HG3  GLN  12           HG1      GLN  12   8.310  -4.565  -4.579
  104   HE21  GLN  12          HE21      GLN  12   9.902  -4.629  -6.189
  105   HE22  GLN  12          HE22      GLN  12  11.593  -4.528  -5.786
  106    H    PHE  13           HN       PHE  13   6.418  -0.011  -2.823
  107    HA   PHE  13           HA       PHE  13   5.568   1.422  -5.250
  108    HB2  PHE  13           HB2      PHE  13   4.281   1.561  -2.512
  109    HB3  PHE  13           HB1      PHE  13   3.863   2.595  -3.885
  110    HD1  PHE  13           HD1      PHE  13   2.869   1.572  -5.930
  111    HD2  PHE  13           HD2      PHE  13   3.431  -0.628  -2.331
  112    HE1  PHE  13           HE1      PHE  13   1.234  -0.092  -6.701
  113    HE2  PHE  13           HE2      PHE  13   1.801  -2.303  -3.103
  114    HZ   PHE  13           HZ       PHE  13   0.819  -2.110  -5.363
  115    H    ALA  14           HN       ALA  14   5.453   3.844  -4.818
  116    HA   ALA  14           HA       ALA  14   8.216   4.465  -4.195
  117    HB1  ALA  14           HB1      ALA  14   6.115   6.152  -5.534
  118    HB2  ALA  14           HB2      ALA  14   7.254   5.085  -6.356
  119    HB3  ALA  14           HB3      ALA  14   7.844   6.489  -5.468
  120    H    ASP  15           HN       ASP  15   5.062   5.209  -2.885
  121    HA   ASP  15           HA       ASP  15   6.358   6.946  -0.891
  122    HB2  ASP  15           HB2      ASP  15   4.952   8.148  -2.828
  123    HB3  ASP  15           HB1      ASP  15   3.620   7.662  -1.811
  124    HA   PRO  16           HA       PRO  16   3.687   4.723   1.997
  125    HB2  PRO  16           HB2      PRO  16   3.706   7.216   3.573
  126    HB3  PRO  16           HB1      PRO  16   4.281   5.608   4.022
  127    HG2  PRO  16           HG2      PRO  16   5.975   7.646   3.536
  128    HG3  PRO  16           HG1      PRO  16   6.381   5.965   3.140
  129    HD2  PRO  16           HD2      PRO  16   5.462   8.172   1.342
  130    HD3  PRO  16           HD1      PRO  16   6.676   6.911   1.043
  131    H    GLY  17           HN       GLY  17   3.238   7.927   0.749
  132    HA2  GLY  17           HA2      GLY  17   0.529   8.371   1.236
  133    HA3  GLY  17           HA1      GLY  17   1.442   8.959  -0.157
  134    H    ALA  18           HN       ALA  18   2.139   6.447  -1.227
  135    HA   ALA  18           HA       ALA  18  -0.339   5.855  -2.558
  136    HB1  ALA  18           HB1      ALA  18   0.989   4.280  -3.894
  137    HB2  ALA  18           HB2      ALA  18   2.401   4.668  -2.908
  138    HB3  ALA  18           HB3      ALA  18   1.650   5.918  -3.903
  139    H    LEU  19           HN       LEU  19   1.605   4.409  -0.028
  140    HA   LEU  19           HA       LEU  19   0.412   1.843  -0.263
  141    HB2  LEU  19           HB2      LEU  19   2.031   3.191   1.870
  142    HB3  LEU  19           HB1      LEU  19   1.223   1.662   2.196
  143    HG   LEU  19           HG       LEU  19   3.415   2.193   0.201
  144   HD11  LEU  19          HD11      LEU  19   3.166   0.436   2.634
  145   HD12  LEU  19          HD12      LEU  19   4.191   1.860   2.449
  146   HD13  LEU  19          HD13      LEU  19   4.524   0.403   1.511
  147   HD21  LEU  19          HD21      LEU  19   3.206  -0.159  -0.442
  148   HD22  LEU  19          HD22      LEU  19   1.744   0.744  -0.836
  149   HD23  LEU  19          HD23      LEU  19   1.774  -0.313   0.577
  150    H    GLN  20           HN       GLN  20  -0.367   4.832   1.341
  151    HA   GLN  20           HA       GLN  20  -2.307   3.592   2.944
  152    HB2  GLN  20           HB2      GLN  20  -2.933   5.740   3.752
  153    HB3  GLN  20           HB1      GLN  20  -1.194   5.752   3.532
  154    HG2  GLN  20           HG2      GLN  20  -1.446   6.936   1.430
  155    HG3  GLN  20           HG1      GLN  20  -3.197   6.928   1.632
  156   HE21  GLN  20          HE21      GLN  20  -1.369   9.189   1.400
  157   HE22  GLN  20          HE22      GLN  20  -1.596  10.133   2.829
  158    H    ARG  21           HN       ARG  21  -2.308   5.291  -0.019
  159    HA   ARG  21           HA       ARG  21  -5.128   5.153  -0.444
  160    HB2  ARG  21           HB2      ARG  21  -2.963   6.349  -1.738
  161    HB3  ARG  21           HB1      ARG  21  -3.630   5.209  -2.904
  162    HG2  ARG  21           HG2      ARG  21  -5.806   6.197  -2.719
  163    HG3  ARG  21           HG1      ARG  21  -5.258   7.253  -1.416
  164    HD2  ARG  21           HD2      ARG  21  -3.583   8.165  -3.062
  165    HD3  ARG  21           HD1      ARG  21  -4.488   7.322  -4.319
  166    HE   ARG  21           HE       ARG  21  -5.845   9.238  -2.548
  167   HH11  ARG  21          HH11      ARG  21  -4.882   8.231  -5.772
  168   HH12  ARG  21          HH12      ARG  21  -5.801   9.478  -6.555
  169   HH21  ARG  21          HH21      ARG  21  -7.033  10.877  -3.587
  170   HH22  ARG  21          HH22      ARG  21  -7.001  10.992  -5.329
  171    H    HIS  22           HN       HIS  22  -2.437   3.064  -0.881
  172    HA   HIS  22           HA       HIS  22  -3.605   1.280  -2.782
  173    HB2  HIS  22           HB2      HIS  22  -1.142   1.552  -2.247
  174    HB3  HIS  22           HB1      HIS  22  -1.441   0.593  -0.810
  175    HD1  HIS  22           HD1      HIS  22  -2.054   0.217  -4.577
  176    HD2  HIS  22           HD2      HIS  22  -1.069  -1.974  -1.182
  177    HE1  HIS  22           HE1      HIS  22  -1.699  -2.162  -5.343
  178    H    VAL  23           HN       VAL  23  -3.157   1.166   0.737
  179    HA   VAL  23           HA       VAL  23  -4.176  -1.435   0.910
  180    HB   VAL  23           HB       VAL  23  -3.946   0.648   3.094
  181   HG11  VAL  23          HG11      VAL  23  -4.132  -1.215   4.674
  182   HG12  VAL  23          HG12      VAL  23  -4.432  -2.323   3.336
  183   HG13  VAL  23          HG13      VAL  23  -5.595  -1.050   3.704
  184   HG21  VAL  23          HG21      VAL  23  -1.935  -0.600   3.741
  185   HG22  VAL  23          HG22      VAL  23  -1.807   0.030   2.097
  186   HG23  VAL  23          HG23      VAL  23  -2.163  -1.677   2.362
  187    H    ARG  24           HN       ARG  24  -5.639   1.743   0.992
  188    HA   ARG  24           HA       ARG  24  -8.260   1.024   1.678
  189    HB2  ARG  24           HB2      ARG  24  -7.236   3.176  -0.169
  190    HB3  ARG  24           HB1      ARG  24  -8.921   3.024   0.307
  191    HG2  ARG  24           HG2      ARG  24  -8.053   3.169   2.711
  192    HG3  ARG  24           HG1      ARG  24  -6.552   3.750   1.986
  193    HD2  ARG  24           HD2      ARG  24  -7.687   5.580   0.937
  194    HD3  ARG  24           HD1      ARG  24  -9.256   4.957   1.439
  195    HE   ARG  24           HE       ARG  24  -7.225   5.998   3.324
  196   HH11  ARG  24          HH11      ARG  24 -10.538   5.536   2.297
  197   HH12  ARG  24          HH12      ARG  24 -11.221   6.487   3.578
  198   HH21  ARG  24          HH21      ARG  24  -8.105   7.297   5.001
  199   HH22  ARG  24          HH22      ARG  24  -9.827   7.508   5.115
  200    H    ILE  25           HN       ILE  25  -6.513   0.807  -1.375
  201    HA   ILE  25           HA       ILE  25  -8.657   0.158  -3.058
  202    HB   ILE  25           HB       ILE  25  -5.730  -0.551  -3.198
  203   HG12  ILE  25          HG12      ILE  25  -6.191   1.800  -3.454
  204   HG13  ILE  25          HG11      ILE  25  -5.710   1.136  -5.004
  205   HG21  ILE  25          HG21      ILE  25  -6.900  -2.246  -4.421
  206   HG22  ILE  25          HG22      ILE  25  -6.115  -1.136  -5.546
  207   HG23  ILE  25          HG23      ILE  25  -7.849  -1.022  -5.263
  208   HD11  ILE  25          HD11      ILE  25  -8.059   1.076  -5.692
  209   HD12  ILE  25          HD12      ILE  25  -7.540   2.704  -5.259
  210   HD13  ILE  25          HD13      ILE  25  -8.525   1.765  -4.137
  211    H    HIS  26           HN       HIS  26  -6.458  -1.907  -1.174
  212    HA   HIS  26           HA       HIS  26  -7.680  -4.356  -1.892
  213    HB2  HIS  26           HB2      HIS  26  -5.945  -3.540   0.424
  214    HB3  HIS  26           HB1      HIS  26  -6.632  -5.154   0.324
  215    HD1  HIS  26           HD1      HIS  26  -6.121  -5.681  -2.744
  216    HD2  HIS  26           HD2      HIS  26  -3.372  -4.091  -0.048
  217    HE1  HIS  26           HE1      HIS  26  -3.798  -6.290  -3.619
  218    H    THR  27           HN       THR  27  -8.110  -2.177   0.864
  219    HA   THR  27           HA       THR  27 -10.278  -3.780   1.914
  220    HB   THR  27           HB       THR  27  -9.504  -1.024   2.867
  221    HG1  THR  27           HG1      THR  27  -7.572  -2.134   2.884
  222   HG21  THR  27          HG21      THR  27 -10.252  -1.895   5.033
  223   HG22  THR  27          HG22      THR  27 -10.592  -3.459   4.291
  224   HG23  THR  27          HG23      THR  27 -11.528  -2.038   3.824
  225    H    GLY  28           HN       GLY  28 -10.865  -3.090  -0.629
  226    HA2  GLY  28           HA2      GLY  28 -12.314  -0.605  -0.790
  227    HA3  GLY  28           HA1      GLY  28 -12.205  -1.838  -2.036
  228    H    GLU  29           HN       GLU  29 -13.109  -3.056   0.987
  229    HA   GLU  29           HA       GLU  29 -15.683  -3.839   0.209
  230    HB2  GLU  29           HB2      GLU  29 -14.478  -3.558   2.959
  231    HB3  GLU  29           HB1      GLU  29 -15.995  -4.377   2.614
  232    HG2  GLU  29           HG2      GLU  29 -13.306  -5.165   1.519
  233    HG3  GLU  29           HG1      GLU  29 -14.131  -5.930   2.870
  234    H    LYS  30           HN       LYS  30 -14.533  -1.203   2.239
  235    HA   LYS  30           HA       LYS  30 -16.662   0.506   1.398
  236    HB2  LYS  30           HB2      LYS  30 -17.807  -0.764   3.181
  237    HB3  LYS  30           HB1      LYS  30 -16.543  -0.304   4.314
  238    HG2  LYS  30           HG2      LYS  30 -17.176   2.020   4.126
  239    HG3  LYS  30           HG1      LYS  30 -18.389   1.616   2.908
  240    HD2  LYS  30           HD2      LYS  30 -19.620   0.304   4.523
  241    HD3  LYS  30           HD1      LYS  30 -18.371   0.580   5.739
  242    HE2  LYS  30           HE2      LYS  30 -18.844   2.970   5.695
  243    HE3  LYS  30           HE1      LYS  30 -20.073   2.712   4.456
  244    HZ1  LYS  30           HZ1      LYS  30 -20.157   1.489   7.157
  245    HZ2  LYS  30           HZ2      LYS  30 -21.386   1.467   5.983
  246    HZ3  LYS  30           HZ3      LYS  30 -20.958   2.926   6.742