*HEADER    METAL BINDING PROTEIN                   31-JAN-08   2K0A              
*TITLE     1H, 15N AND 13C CHEMICAL SHIFT ASSIGNMENTS FOR RDS3 PROTEIN           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PRE-MRNA-SPLICING FACTOR RDS3;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: REGULATOR OF DRUG SENSITIVITY 3;                            
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: BAKER'S YEAST;                                      
*SOURCE   4 GENE: RDS3;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR: PRK172;                                    
*SOURCE   8 OTHER_DETAILS: PROTEIN WAS EXPRESSED AS AN N-TERMINAL                
*SOURCE   9 GLUTATHIONE-S-TRANSFERASE FUSION PROTEIN                             
*KEYWDS    ZINC FINGER, TOPOLOGICAL KNOT, MRNA PROCESSING, MRNA                  
*KEYWDS   2 SPLICING, NUCLEUS, SPLICEOSOME, RNA BINDING PROTEIN, METAL           
*KEYWDS   3 BINDING PROTEIN                                                      
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    N.LOENING, A.VAN ROON, J.YANG, K.NAGAI, D.NEUHAUS                     
*REVDAT   1   22-JUL-08 2K0A    0                                                


assign ( resid 74 and name HN
  )
       ( resid 74 and name HB3
  ) 3.2 0.6 0.6 volume=1.098 peak=1 ppm1=9.050 ppm2=3.357

assign ( resid 74 and name HN
  )
       ( resid 74 and name HB2
  ) 3.1 0.6 0.6 volume=1.258 peak=2 ppm1=9.048 ppm2=3.456

assign ( resid 74 and name HD1
  or resid 74 and name HH2
  )
       ( resid 74 and name HB3
  ) 3.4 0.7 0.7 volume=0.671 peak=3 ppm1=7.271 ppm2=3.358

assign ( resid 74 and name HD1
  or resid 74 and name HH2
  )
       ( resid 74 and name HB2
  ) 3.6 0.7 0.7 volume=0.534 peak=4 ppm1=7.271 ppm2=3.458

assign ( resid 74 and name HN
  )
       ( resid 74 and name HA
  ) 3.3 0.7 0.7 volume=0.771 peak=5 ppm1=9.051 ppm2=3.799

assign ( resid 74 and name HD1
  )
       ( resid 74 and name HA
  ) 3.8 0.8 0.8 volume=0.369 peak=6 ppm1=7.272 ppm2=3.795

assign ( resid 74 and name HD1
  )
       ( resid 74 and name HE1
  ) 3.8 0.8 0.8 volume=0.345 peak=7 ppm1=7.272 ppm2=10.205

assign ( resid 74 and name HD1
  )
       ( resid 74 and name HN
  ) 3.6 0.7 0.7 volume=0.501 peak=8 ppm1=7.270 ppm2=9.052

assign ( resid 74 and name HB2
  )
       ( resid 74 and name HA
  ) 3.5 0.7 0.7 volume=0.550 peak=9 ppm1=3.459 ppm2=3.796

assign ( resid 74 and name HA
  )
       ( resid 74 and name HB3
  ) 3.6 0.7 0.7 volume=0.458 peak=10 ppm1=3.796 ppm2=3.356

assign ( resid 74 and name HA
  )
       ( resid 74 and name HB2
  ) 3.7 0.7 0.7 volume=0.435 peak=11 ppm1=3.789 ppm2=3.463

assign ( resid 74 and name HB3
  )
       ( resid 74 and name HA
  ) 3.4 0.7 0.7 volume=0.746 peak=12 ppm1=3.355 ppm2=3.797

assign ( resid 74 and name HE3
  )
       ( resid 74 and name HB2
  ) 3.4 0.7 0.7 volume=0.712 peak=13 ppm1=7.506 ppm2=3.455

assign ( resid 74 and name HE3
  )
       ( resid 74 and name HA
  ) 3.6 0.7 0.7 volume=0.479 peak=14 ppm1=7.507 ppm2=3.797

assign ( resid 74 and name HE3
  )
       ( resid 74 and name HB3
  ) 3.5 0.7 0.7 volume=0.601 peak=15 ppm1=7.506 ppm2=3.353

assign ( resid 74 and name HH2
  )
       ( resid 74 and name HZ2
  ) 2.8 0.6 0.6 volume=2.028 peak=16 ppm1=7.271 ppm2=7.548

assign ( resid 74 and name HZ3
  )
       ( resid 74 and name HE3
  ) 2.8 0.6 0.6 volume=2.277 peak=17 ppm1=7.224 ppm2=7.509

assign ( resid 74 and name HZ2
  )
       ( resid 74 and name HH2
  ) 2.8 0.6 0.6 volume=2.367 peak=18 ppm1=7.542 ppm2=7.278

assign ( resid 74 and name HE3
  )
       ( resid 74 and name HZ3
  ) 2.8 0.6 0.6 volume=2.412 peak=19 ppm1=7.511 ppm2=7.230

assign ( resid 72 and name HB3
  )
       ( resid 72 and name HD#
  ) 3.7 0.7 0.7 volume=0.888 peak=20 ppm1=3.002 ppm2=6.972

assign ( resid 62 and name HB3
  or resid 62 and name HB2
  )
       ( resid 62 and name HD22
  ) 3.6 0.7 0.7 volume=0.534 peak=21 ppm1=2.999 ppm2=6.760

assign ( resid 62 and name HD22
  )
       ( resid 62 and name HB3
  or resid 62 and name HB2
  ) 3.3 0.7 0.7 volume=0.798 peak=22 ppm1=6.760 ppm2=3.000

assign ( resid 43 and name HN
  )
       ( resid 43 and name HG2#
  ) 3.7 0.7 0.7 volume=1.249 peak=23 ppm1=8.135 ppm2=-0.121

assign ( resid 72 and name HN
  )
       ( resid 43 and name HG2#
  ) 4.0 0.8 0.8 volume=0.764 peak=24 ppm1=9.337 ppm2=-0.122

assign ( resid 43 and name HG2#
  )
       ( resid 43 and name HN
  ) 3.7 0.7 0.7 volume=1.205 peak=25 ppm1=-0.118 ppm2=8.135

assign ( resid 43 and name HG2#
  )
       ( resid 43 and name HA
  ) 3.7 0.7 0.7 volume=1.273 peak=26 ppm1=-0.119 ppm2=3.602

assign ( resid 36 and name HB2
  )
       ( resid 36 and name HA
  ) 3.2 0.6 0.6 volume=0.918 peak=27 ppm1=2.731 ppm2=4.938

assign ( resid 36 and name HB3
  )
       ( resid 36 and name HA
  ) 3.5 0.7 0.7 volume=0.538 peak=28 ppm1=3.318 ppm2=4.943

assign ( resid 36 and name HB2
  )
       ( resid 36 and name HN
  ) 3.8 0.8 0.8 volume=0.380 peak=29 ppm1=2.726 ppm2=8.724

assign ( resid 36 and name HB2
  )
       ( resid 36 and name HD#
  ) 3.4 0.7 0.7 volume=1.359 peak=30 ppm1=2.730 ppm2=7.150

assign ( resid 36 and name HB3
  )
       ( resid 36 and name HD#
  ) 3.5 0.7 0.7 volume=1.096 peak=31 ppm1=3.320 ppm2=7.151

assign ( resid 36 and name HD#
  )
       ( resid 36 and name HE#
  ) 2.7 0.5 0.5 volume=11.289 peak=32 ppm1=7.152 ppm2=6.903

assign ( resid 36 and name HE#
  )
       ( resid 36 and name HD#
  ) 2.7 0.5 0.5 volume=10.162 peak=33 ppm1=6.901 ppm2=7.149

assign ( resid 36 and name HD#
  )
       ( resid 36 and name HB3
  ) 3.3 0.7 0.7 volume=1.788 peak=34 ppm1=7.149 ppm2=3.314

assign ( resid 36 and name HD#
  )
       ( resid 36 and name HB2
  ) 3.3 0.7 0.7 volume=1.589 peak=35 ppm1=7.149 ppm2=2.726

assign ( resid 36 and name HD#
  )
       ( resid 36 and name HA
  ) 3.4 0.7 0.7 volume=1.517 peak=36 ppm1=7.150 ppm2=4.939

assign ( resid 36 and name HN
  )
       ( resid 36 and name HD#
  ) 3.8 0.8 0.8 volume=0.758 peak=37 ppm1=8.722 ppm2=7.148

assign ( resid 36 and name HN
  )
       ( resid 36 and name HA
  ) 3.5 0.7 0.7 volume=0.591 peak=38 ppm1=8.720 ppm2=4.937

assign ( resid 36 and name HN
  )
       ( resid 36 and name HB2
  ) 3.4 0.7 0.7 volume=0.658 peak=39 ppm1=8.724 ppm2=2.729

assign ( resid 36 and name HN
  )
       ( resid 36 and name HB3
  ) 3.5 0.7 0.7 volume=0.587 peak=40 ppm1=8.721 ppm2=3.312

assign ( resid 36 and name HB3
  )
       ( resid 36 and name HN
  ) 3.8 0.8 0.8 volume=0.373 peak=41 ppm1=3.319 ppm2=8.724

assign ( resid 63 and name HN
  )
       ( resid 64 and name HN
  ) 3.0 0.6 0.6 volume=1.528 peak=42 ppm1=8.401 ppm2=6.907

assign ( resid 36 and name HE#
  )
       ( resid 36 and name HB3
  ) 4.2 0.8 0.8 volume=0.407 peak=43 ppm1=6.898 ppm2=3.312

assign ( resid 36 and name HE#
  )
       ( resid 36 and name HB2
  ) 4.2 0.8 0.8 volume=0.410 peak=44 ppm1=6.904 ppm2=2.726

assign ( resid 36 and name HE#
  )
       ( resid 36 and name HA
  ) 4.4 0.9 0.9 volume=0.301 peak=45 ppm1=6.903 ppm2=4.948

assign ( resid 23 and name HN
  )
       ( resid 22 and name HA
  ) 3.1 0.6 0.6 volume=1.272 peak=46 ppm1=9.601 ppm2=6.024

assign ( resid 22 and name HA
  )
       ( resid 23 and name HN
  ) 3.3 0.7 0.7 volume=0.843 peak=47 ppm1=6.029 ppm2=9.602

assign ( resid 22 and name HA
  )
       ( resid 22 and name HN
  ) 3.8 0.8 0.8 volume=0.361 peak=48 ppm1=6.023 ppm2=9.290

assign ( resid 22 and name HN
  )
       ( resid 22 and name HA
  ) 3.7 0.7 0.7 volume=0.422 peak=49 ppm1=9.287 ppm2=6.027

assign ( resid 54 and name HE22
  )
       ( resid 54 and name HE21
  ) 2.3 0.5 0.5 volume=7.446 peak=50 ppm1=7.508 ppm2=6.903

assign ( resid 64 and name HN
  )
       ( resid 63 and name HN
  ) 3.0 0.6 0.6 volume=1.583 peak=51 ppm1=6.907 ppm2=8.400

assign ( resid 54 and name HE21
  )
       ( resid 54 and name HE22
  ) 2.3 0.5 0.5 volume=6.425 peak=52 ppm1=6.902 ppm2=7.508

assign ( resid 72 and name HB2
  )
       ( resid 72 and name HB3
  ) 3.3 0.7 0.7 volume=0.787 peak=53 ppm1=2.599 ppm2=3.005

assign ( resid 72 and name HB3
  )
       ( resid 72 and name HA
  ) 3.6 0.7 0.7 volume=0.509 peak=54 ppm1=2.998 ppm2=5.369

assign ( resid 72 and name HB2
  )
       ( resid 72 and name HA
  ) 3.8 0.8 0.8 volume=0.350 peak=55 ppm1=2.598 ppm2=5.370

assign ( resid 71 and name HB3
  or resid 72 and name HB2
  )
       ( resid 72 and name HN
  ) 3.4 0.7 0.7 volume=0.645 peak=56 ppm1=2.606 ppm2=9.336

assign ( resid 72 and name HN
  )
       ( resid 72 and name HA
  ) 3.7 0.7 0.7 volume=0.451 peak=57 ppm1=9.339 ppm2=5.371

assign ( resid 72 and name HN
  )
       ( resid 40 and name HE2
  or resid 71 and name HB3
  or resid 72 and name HB2
  ) 3.3 0.7 0.7 volume=0.881 peak=58 ppm1=9.335 ppm2=2.609

assign ( resid 72 and name HN
  )
       ( resid 72 and name HB3
  ) 4.0 0.8 0.8 volume=0.260 peak=59 ppm1=9.333 ppm2=2.998

assign ( resid 72 and name HA
  )
       ( resid 72 and name HD#
  ) 4.2 0.8 0.8 volume=0.380 peak=60 ppm1=5.370 ppm2=6.974

assign ( resid 72 and name HB2
  )
       ( resid 72 and name HD#
  ) 3.6 0.7 0.7 volume=0.990 peak=61 ppm1=2.601 ppm2=6.971

assign ( resid 72 and name HN
  )
       ( resid 72 and name HD#
  ) 3.7 0.7 0.7 volume=0.784 peak=62 ppm1=9.334 ppm2=6.973

assign ( resid 72 and name HD#
  )
       ( resid 72 and name HA
  ) 3.6 0.7 0.7 volume=0.984 peak=63 ppm1=6.974 ppm2=5.371

assign ( resid 72 and name HD#
  )
       ( resid 72 and name HB3
  ) 3.5 0.7 0.7 volume=1.225 peak=64 ppm1=6.969 ppm2=3.006

assign ( resid 72 and name HD#
  )
       ( resid 72 and name HB2
  ) 3.5 0.7 0.7 volume=1.168 peak=65 ppm1=6.971 ppm2=2.600

assign ( resid 72 and name HE#
  )
       ( resid 72 and name HB3
  ) 3.7 0.7 0.7 volume=0.841 peak=66 ppm1=6.875 ppm2=3.006

assign ( resid 72 and name HE#
  )
       ( resid 72 and name HB2
  ) 4.4 0.9 0.9 volume=0.300 peak=67 ppm1=6.888 ppm2=2.605

assign ( resid 51 and name HB2
  )
       ( resid 51 and name HD#
  ) 3.5 0.7 0.7 volume=1.108 peak=68 ppm1=3.214 ppm2=7.332

assign ( resid 51 and name HB3
  )
       ( resid 51 and name HD#
  ) 3.5 0.7 0.7 volume=1.120 peak=69 ppm1=3.115 ppm2=7.331

assign ( resid 51 and name HN
  )
       ( resid 50 and name HA
  ) 3.5 0.7 0.7 volume=0.575 peak=70 ppm1=7.343 ppm2=4.230

assign ( resid 6 and name HE#
  )
       ( resid 6 and name HB2
  ) 3.7 0.7 0.7 volume=0.888 peak=71 ppm1=7.342 ppm2=3.211

assign ( resid 101 and name HE#
  )
       ( resid 101 and name HB2
  ) 3.5 0.7 0.7 volume=1.193 peak=72 ppm1=7.342 ppm2=3.121

assign ( resid 71 and name HB2
  )
       ( resid 71 and name HD#
  ) 3.5 0.7 0.7 volume=1.080 peak=73 ppm1=2.847 ppm2=6.927

assign ( resid 71 and name HB3
  )
       ( resid 71 and name HD#
  ) 3.4 0.7 0.7 volume=1.289 peak=74 ppm1=2.614 ppm2=6.929

assign ( resid 71 and name HD#
  )
       ( resid 71 and name HN
  ) 3.6 0.7 0.7 volume=0.997 peak=75 ppm1=6.932 ppm2=8.874

assign ( resid 71 and name HD#
  )
       ( resid 71 and name HA
  ) 3.8 0.8 0.8 volume=0.729 peak=76 ppm1=6.931 ppm2=5.003

assign ( resid 71 and name HD#
  )
       ( resid 71 and name HB2
  ) 3.3 0.7 0.7 volume=1.565 peak=77 ppm1=6.931 ppm2=2.842

assign ( resid 71 and name HD#
  )
       ( resid 71 and name HB3
  ) 3.3 0.7 0.7 volume=1.754 peak=78 ppm1=6.931 ppm2=2.615

assign ( resid 71 and name HE#
  )
       ( resid 71 and name HD#
  ) 3.0 0.6 0.6 volume=5.779 peak=79 ppm1=7.281 ppm2=6.931

assign ( resid 71 and name HD#
  )
       ( resid 71 and name HE#
  ) 3.0 0.6 0.6 volume=6.448 peak=80 ppm1=6.930 ppm2=7.278

assign ( resid 71 and name HE#
  )
       ( resid 42 and name HE3
  or resid 71 and name HB2
  ) 3.9 0.8 0.8 volume=0.628 peak=81 ppm1=7.277 ppm2=2.868

assign ( resid 101 and name HB2
  )
       ( resid 101 and name HD#
  ) 3.7 0.7 0.7 volume=0.890 peak=82 ppm1=3.127 ppm2=7.229

assign ( resid 51 and name HB3
  )
       ( resid 51 and name HE#
  ) 3.7 0.7 0.7 volume=0.851 peak=83 ppm1=3.117 ppm2=7.229

assign ( resid 101 and name HB3
  )
       ( resid 101 and name HD#
  ) 3.5 0.7 0.7 volume=1.123 peak=84 ppm1=3.020 ppm2=7.227

assign ( resid 101 and name HD#
  )
       ( resid 101 and name HB3
  ) 3.2 0.6 0.6 volume=2.096 peak=85 ppm1=7.231 ppm2=3.018

assign ( resid 101 and name HD#
  )
       ( resid 101 and name HB2
  ) 3.2 0.6 0.6 volume=2.186 peak=86 ppm1=7.231 ppm2=3.119

assign ( resid 101 and name HD#
  )
       ( resid 101 and name HA
  ) 3.5 0.7 0.7 volume=1.212 peak=87 ppm1=7.230 ppm2=4.544

assign ( resid 4 and name HD2
  )
       ( resid 4 and name HB2
  ) 3.6 0.7 0.7 volume=0.456 peak=88 ppm1=6.876 ppm2=2.983

assign ( resid 5 and name HE21
  )
       ( resid 5 and name HE22
  ) 2.2 0.4 0.4 volume=8.600 peak=89 ppm1=7.485 ppm2=6.816

assign ( resid 5 and name HE22
  )
       ( resid 5 and name HE21
  ) 2.3 0.5 0.5 volume=7.183 peak=90 ppm1=6.820 ppm2=7.484

assign ( resid 5 and name HG3
  or resid 5 and name HG2
  )
       ( resid 5 and name HE21
  ) 3.6 0.7 0.7 volume=0.460 peak=91 ppm1=2.120 ppm2=7.481

assign ( resid 33 and name HN
  or resid 57 and name HN
  )
       ( resid 33 and name HB3
  or resid 57 and name HB3
  ) 3.4 0.7 0.7 volume=0.751 peak=92 ppm1=7.652 ppm2=2.483

assign ( resid 14 and name HE21
  )
       ( resid 14 and name HE22
  ) 2.4 0.5 0.5 volume=5.869 peak=93 ppm1=7.672 ppm2=6.937

assign ( resid 14 and name HE22
  )
       ( resid 14 and name HE21
  ) 2.4 0.5 0.5 volume=5.584 peak=94 ppm1=6.938 ppm2=7.671

assign ( resid 10 and name HE#
  or resid 14 and name HB2
  )
       ( resid 10 and name HN
  or resid 14 and name HN
  ) 3.4 0.7 0.7 volume=0.965 peak=95 ppm1=2.127 ppm2=8.389

assign ( resid 14 and name HB3
  )
       ( resid 14 and name HN
  ) 3.2 0.6 0.6 volume=0.977 peak=96 ppm1=1.972 ppm2=8.387

assign ( resid 33 and name HB3
  or resid 57 and name HB3
  )
       ( resid 33 and name HN
  or resid 57 and name HN
  ) 3.4 0.7 0.7 volume=0.648 peak=97 ppm1=2.479 ppm2=7.655

assign ( resid 18 and name HN
  )
       ( resid 18 and name HB3
  ) 3.1 0.6 0.6 volume=1.226 peak=98 ppm1=8.623 ppm2=1.987

assign ( resid 18 and name HN
  )
       ( resid 18 and name HB2
  ) 3.3 0.7 0.7 volume=0.794 peak=99 ppm1=8.626 ppm2=2.075

assign ( resid 18 and name HE21
  )
       ( resid 18 and name HE22
  ) 2.1 0.4 0.4 volume=13.438 peak=100 ppm1=7.715 ppm2=6.836

assign ( resid 18 and name HE22
  )
       ( resid 18 and name HE21
  ) 2.2 0.4 0.4 volume=8.280 peak=101 ppm1=6.837 ppm2=7.716

assign ( resid 65 and name HB
  )
       ( resid 65 and name HN
  ) 3.0 0.6 0.6 volume=1.628 peak=102 ppm1=1.995 ppm2=8.603

assign ( resid 48 and name HB2
  or resid 49 and name HB3
  )
       ( resid 49 and name HN
  ) 3.3 0.7 0.7 volume=0.883 peak=103 ppm1=3.009 ppm2=9.185

assign ( resid 48 and name HB3
  )
       ( resid 49 and name HN
  ) 3.7 0.7 0.7 volume=0.444 peak=104 ppm1=2.865 ppm2=9.180

assign ( resid 57 and name HD21
  )
       ( resid 57 and name HD22
  ) 2.4 0.5 0.5 volume=5.678 peak=105 ppm1=7.196 ppm2=6.627

assign ( resid 57 and name HD22
  )
       ( resid 57 and name HD21
  ) 2.3 0.5 0.5 volume=6.668 peak=106 ppm1=6.623 ppm2=7.198

assign ( resid 57 and name HD22
  )
       ( resid 57 and name HB3
  ) 3.6 0.7 0.7 volume=0.464 peak=107 ppm1=6.627 ppm2=2.485

assign ( resid 57 and name HD22
  )
       ( resid 57 and name HB2
  ) 3.6 0.7 0.7 volume=0.463 peak=108 ppm1=6.628 ppm2=2.843

assign ( resid 57 and name HB2
  )
       ( resid 57 and name HN
  ) 3.4 0.7 0.7 volume=0.705 peak=109 ppm1=2.851 ppm2=7.653

assign ( resid 62 and name HD22
  )
       ( resid 62 and name HD21
  ) 2.5 0.5 0.5 volume=4.906 peak=110 ppm1=6.758 ppm2=7.364

assign ( resid 62 and name HD21
  )
       ( resid 62 and name HD22
  ) 2.4 0.5 0.5 volume=5.173 peak=111 ppm1=7.365 ppm2=6.755

assign ( resid 62 and name HN
  )
       ( resid 62 and name HA
  ) 2.7 0.5 0.5 volume=2.581 peak=112 ppm1=7.842 ppm2=4.670

assign ( resid 62 and name HD21
  )
       ( resid 62 and name HB3
  or resid 62 and name HB2
  ) 3.2 0.6 0.6 volume=1.047 peak=113 ppm1=7.366 ppm2=3.002

assign ( resid 64 and name HD22
  )
       ( resid 64 and name HD21
  ) 2.9 0.6 0.6 volume=1.636 peak=114 ppm1=7.092 ppm2=7.947

assign ( resid 64 and name HD21
  )
       ( resid 64 and name HB2
  ) 3.9 0.8 0.8 volume=0.326 peak=115 ppm1=7.949 ppm2=2.864

assign ( resid 64 and name HD21
  )
       ( resid 64 and name HB3
  ) 3.6 0.7 0.7 volume=0.481 peak=116 ppm1=7.948 ppm2=2.796

assign ( resid 64 and name HD22
  )
       ( resid 64 and name HB3
  ) 3.7 0.7 0.7 volume=0.452 peak=117 ppm1=7.089 ppm2=2.804

assign ( resid 64 and name HD22
  )
       ( resid 64 and name HB2
  ) 4.0 0.8 0.8 volume=0.262 peak=118 ppm1=7.092 ppm2=2.864

assign ( resid 68 and name HB2
  )
       ( resid 68 and name HB3
  ) 2.7 0.5 0.5 volume=2.686 peak=119 ppm1=2.673 ppm2=2.959

assign ( resid 68 and name HB3
  )
       ( resid 68 and name HA
  ) 3.1 0.6 0.6 volume=1.230 peak=120 ppm1=2.964 ppm2=5.185

assign ( resid 68 and name HB3
  )
       ( resid 68 and name HD22
  ) 3.9 0.8 0.8 volume=0.289 peak=121 ppm1=2.955 ppm2=7.003

assign ( resid 68 and name HB2
  )
       ( resid 68 and name HD22
  ) 3.9 0.8 0.8 volume=0.308 peak=122 ppm1=2.677 ppm2=7.001

assign ( resid 68 and name HB2
  )
       ( resid 68 and name HN
  ) 3.4 0.7 0.7 volume=0.637 peak=123 ppm1=2.676 ppm2=8.169

assign ( resid 68 and name HD22
  )
       ( resid 68 and name HD21
  ) 2.1 0.4 0.4 volume=11.136 peak=124 ppm1=7.000 ppm2=7.749

assign ( resid 68 and name HD21
  )
       ( resid 68 and name HD22
  ) 2.3 0.5 0.5 volume=6.542 peak=125 ppm1=7.750 ppm2=7.002

assign ( resid 68 and name HN
  )
       ( resid 68 and name HA
  ) 3.4 0.7 0.7 volume=0.723 peak=126 ppm1=8.163 ppm2=5.179

assign ( resid 91 and name HD21
  )
       ( resid 91 and name HD22
  ) 2.7 0.5 0.5 volume=2.580 peak=127 ppm1=7.571 ppm2=6.967

assign ( resid 95 and name HB2
  )
       ( resid 95 and name HA
  ) 3.2 0.6 0.6 volume=0.986 peak=128 ppm1=2.823 ppm2=4.706

assign ( resid 95 and name HB3
  )
       ( resid 95 and name HA
  ) 3.5 0.7 0.7 volume=0.622 peak=129 ppm1=2.785 ppm2=4.707

assign ( resid 55 and name HB#
  )
       ( resid 55 and name HN
  ) 3.3 0.7 0.7 volume=2.468 peak=130 ppm1=1.336 ppm2=7.318

assign ( resid 21 and name HD1#
  )
       ( resid 22 and name HN
  ) 4.0 0.8 0.8 volume=0.754 peak=131 ppm1=0.594 ppm2=9.289

assign ( resid 12 and name HD1#
  )
       ( resid 12 and name HN
  ) 3.9 0.8 0.8 volume=0.961 peak=132 ppm1=0.617 ppm2=9.516

assign ( resid 59 and name HG2#
  )
       ( resid 59 and name HN
  ) 3.6 0.7 0.7 volume=1.479 peak=133 ppm1=1.070 ppm2=8.885

assign ( resid 89 and name HG2#
  )
       ( resid 90 and name HN
  ) 4.0 0.8 0.8 volume=0.835 peak=134 ppm1=0.921 ppm2=8.888

assign ( resid 90 and name HD1#
  )
       ( resid 90 and name HN
  ) 4.1 0.8 0.8 volume=0.678 peak=135 ppm1=0.739 ppm2=8.892

assign ( resid 67 and name HG2#
  )
       ( resid 24 and name HN
  ) 3.8 0.8 0.8 volume=1.043 peak=136 ppm1=0.907 ppm2=9.009

assign ( resid 65 and name HG1#
  )
       ( resid 66 and name HN
  ) 4.1 0.8 0.8 volume=0.656 peak=137 ppm1=1.044 ppm2=9.066

assign ( resid 65 and name HG2#
  )
       ( resid 66 and name HN
  ) 3.9 0.8 0.8 volume=0.913 peak=138 ppm1=0.969 ppm2=9.067

assign ( resid 45 and name HG1#
  )
       ( resid 19 and name HN
  or resid 45 and name HN
  ) 3.4 0.7 0.7 volume=2.180 peak=139 ppm1=0.637 ppm2=8.139

assign ( resid 21 and name HD1#
  )
       ( resid 70 and name HN
  ) 3.9 0.8 0.8 volume=0.853 peak=140 ppm1=0.594 ppm2=8.246

assign ( resid 21 and name HD1#
  )
       ( resid 21 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  ) 3.8 0.8 0.8 volume=1.075 peak=141 ppm1=0.592 ppm2=8.492

assign ( resid 70 and name HB#
  )
       ( resid 70 and name HN
  ) 3.5 0.7 0.7 volume=1.648 peak=142 ppm1=1.011 ppm2=8.240

assign ( resid 12 and name HD2#
  )
       ( resid 10 and name HN
  ) 3.6 0.7 0.7 volume=1.595 peak=143 ppm1=0.873 ppm2=8.341

assign ( resid 37 and name HG2#
  )
       ( resid 38 and name HN
  ) 3.7 0.7 0.7 volume=1.161 peak=144 ppm1=1.087 ppm2=8.486

assign ( resid 59 and name HG2#
  )
       ( resid 21 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  ) 3.7 0.7 0.7 volume=1.234 peak=145 ppm1=1.071 ppm2=8.497

assign ( resid 65 and name HG1#
  )
       ( resid 65 and name HN
  ) 3.5 0.7 0.7 volume=1.759 peak=146 ppm1=1.042 ppm2=8.601

assign ( resid 65 and name HG2#
  )
       ( resid 65 and name HN
  ) 3.8 0.8 0.8 volume=1.040 peak=147 ppm1=0.968 ppm2=8.603

assign ( resid 21 and name HD2#
  )
       ( resid 21 and name HN
  ) 4.0 0.8 0.8 volume=0.786 peak=148 ppm1=0.722 ppm2=8.496

assign ( resid 25 and name HG2
  or resid 63 and name HB3
  )
       ( resid 25 and name HN
  or resid 63 and name HN
  ) 3.3 0.7 0.7 volume=0.899 peak=149 ppm1=1.611 ppm2=8.403

assign ( resid 63 and name HG
  or resid 63 and name HB2
  )
       ( resid 63 and name HN
  ) 3.1 0.6 0.6 volume=1.169 peak=150 ppm1=1.741 ppm2=8.401

assign ( resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  )
       ( resid 25 and name HN
  ) 2.9 0.6 0.6 volume=1.949 peak=151 ppm1=2.098 ppm2=8.403

assign ( resid 24 and name HB3
  or resid 24 and name HB2
  )
       ( resid 24 and name HN
  ) 3.0 0.6 0.6 volume=1.592 peak=152 ppm1=2.100 ppm2=9.007

assign ( resid 60 and name HB
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  ) 3.4 0.7 0.7 volume=0.734 peak=153 ppm1=2.124 ppm2=8.895

assign ( resid 47 and name HB2
  or resid 47 and name HB3
  )
       ( resid 47 and name HN
  ) 3.0 0.6 0.6 volume=1.505 peak=154 ppm1=2.069 ppm2=8.812

assign ( resid 45 and name HG1#
  )
       ( resid 46 and name HN
  ) 4.5 0.9 0.9 volume=0.401 peak=155 ppm1=0.637 ppm2=9.746

assign ( resid 43 and name HG2#
  )
       ( resid 72 and name HN
  ) 4.1 0.8 0.8 volume=0.655 peak=156 ppm1=-0.120 ppm2=9.336

assign ( resid 43 and name HG1#
  )
       ( resid 44 and name HN
  ) 4.2 0.8 0.8 volume=0.608 peak=157 ppm1=0.449 ppm2=7.604

assign ( resid 43 and name HG1#
  )
       ( resid 72 and name HE#
  ) 5.0 1.0 1.0 volume=0.408 peak=158 ppm1=0.451 ppm2=6.887

assign ( resid 11 and name HB3
  or resid 86 and name HB3
  )
       ( resid 12 and name HN
  ) 3.4 0.7 0.7 volume=0.649 peak=159 ppm1=2.733 ppm2=9.515

assign ( resid 11 and name HB2
  )
       ( resid 12 and name HN
  ) 3.6 0.7 0.7 volume=0.465 peak=160 ppm1=2.875 ppm2=9.516

assign ( resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  )
       ( resid 76 and name HN
  ) 3.5 0.7 0.7 volume=0.620 peak=161 ppm1=2.670 ppm2=9.436

assign ( resid 66 and name HA1
  )
       ( resid 66 and name HN
  ) 3.4 0.7 0.7 volume=0.660 peak=162 ppm1=3.196 ppm2=9.070

assign ( resid 46 and name HB2
  )
       ( resid 47 and name HN
  ) 3.5 0.7 0.7 volume=0.546 peak=163 ppm1=3.226 ppm2=8.814

assign ( resid 86 and name HB2
  )
       ( resid 86 and name HN
  ) 3.5 0.7 0.7 volume=0.573 peak=164 ppm1=3.130 ppm2=8.831

assign ( resid 66 and name HA2
  or resid 74 and name HB2
  )
       ( resid 66 and name HN
  or resid 74 and name HN
  ) 3.2 0.6 0.6 volume=1.097 peak=165 ppm1=3.458 ppm2=9.052

assign ( resid 23 and name HB3
  )
       ( resid 24 and name HN
  ) 3.2 0.6 0.6 volume=0.945 peak=166 ppm1=3.483 ppm2=9.008

assign ( resid 12 and name HA
  )
       ( resid 12 and name HN
  ) 3.3 0.7 0.7 volume=0.844 peak=167 ppm1=3.744 ppm2=9.516

assign ( resid 76 and name HA
  )
       ( resid 76 and name HN
  ) 3.5 0.7 0.7 volume=0.594 peak=168 ppm1=3.876 ppm2=9.434

assign ( resid 24 and name HA
  )
       ( resid 24 and name HN
  ) 3.6 0.7 0.7 volume=0.517 peak=169 ppm1=4.122 ppm2=9.009

assign ( resid 88 and name HA
  )
       ( resid 11 and name HN
  or resid 89 and name HN
  ) 3.4 0.7 0.7 volume=0.678 peak=170 ppm1=4.046 ppm2=8.769

assign ( resid 11 and name HA
  )
       ( resid 11 and name HN
  ) 3.6 0.7 0.7 volume=0.490 peak=171 ppm1=3.839 ppm2=8.761

assign ( resid 37 and name HA
  )
       ( resid 38 and name HN
  ) 3.0 0.6 0.6 volume=1.451 peak=172 ppm1=3.996 ppm2=8.485

assign ( resid 78 and name HA
  )
       ( resid 78 and name HN
  ) 3.4 0.7 0.7 volume=0.705 peak=173 ppm1=3.834 ppm2=8.207

assign ( resid 74 and name HA
  )
       ( resid 78 and name HN
  ) 3.4 0.7 0.7 volume=0.660 peak=174 ppm1=3.803 ppm2=8.217

assign ( resid 26 and name HB2
  )
       ( resid 26 and name HN
  ) 3.6 0.7 0.7 volume=0.456 peak=175 ppm1=3.262 ppm2=8.294

assign ( resid 20 and name HA1
  )
       ( resid 21 and name HN
  ) 3.3 0.7 0.7 volume=0.782 peak=176 ppm1=2.918 ppm2=8.500

assign ( resid 48 and name HB3
  )
       ( resid 48 and name HN
  ) 3.5 0.7 0.7 volume=0.570 peak=177 ppm1=2.864 ppm2=8.393

assign ( resid 11 and name HB3
  )
       ( resid 11 and name HN
  ) 3.2 0.6 0.6 volume=0.952 peak=178 ppm1=2.736 ppm2=8.759

assign ( resid 11 and name HB2
  )
       ( resid 11 and name HN
  ) 3.6 0.7 0.7 volume=0.481 peak=179 ppm1=2.861 ppm2=8.758

assign ( resid 11 and name HB3
  or resid 86 and name HB3
  )
       ( resid 86 and name HN
  ) 3.3 0.7 0.7 volume=0.785 peak=180 ppm1=2.736 ppm2=8.829

assign ( resid 11 and name HB3
  or resid 86 and name HB3
  )
       ( resid 13 and name HN
  ) 3.5 0.7 0.7 volume=0.557 peak=181 ppm1=2.734 ppm2=8.548

assign ( resid 68 and name HB3
  )
       ( resid 68 and name HN
  ) 3.5 0.7 0.7 volume=0.540 peak=182 ppm1=2.966 ppm2=8.165

assign ( resid 20 and name HA1
  )
       ( resid 20 and name HN
  ) 3.5 0.7 0.7 volume=0.602 peak=183 ppm1=2.917 ppm2=7.989

assign ( resid 84 and name HB2
  or resid 84 and name HB3
  )
       ( resid 84 and name HN
  ) 3.1 0.6 0.6 volume=1.192 peak=184 ppm1=2.668 ppm2=7.559

assign ( resid 27 and name HB2
  )
       ( resid 27 and name HN
  ) 2.9 0.6 0.6 volume=1.629 peak=185 ppm1=2.946 ppm2=7.178

assign ( resid 82 and name HA
  )
       ( resid 72 and name HE#
  ) 4.1 0.8 0.8 volume=0.473 peak=186 ppm1=3.228 ppm2=6.886

assign ( resid 43 and name HA
  )
       ( resid 72 and name HD#
  ) 4.0 0.8 0.8 volume=0.519 peak=187 ppm1=3.608 ppm2=6.971

assign ( resid 27 and name HN
  )
       ( resid 25 and name HN
  ) 3.6 0.7 0.7 volume=0.491 peak=188 ppm1=7.180 ppm2=8.403

assign ( resid 50 and name HN
  or resid 56 and name HN
  )
       ( resid 49 and name HN
  ) 3.3 0.7 0.7 volume=0.819 peak=189 ppm1=7.854 ppm2=9.179

assign ( resid 62 and name HN
  )
       ( resid 63 and name HN
  ) 3.5 0.7 0.7 volume=0.584 peak=190 ppm1=7.843 ppm2=8.401

assign ( resid 17 and name HN
  )
       ( resid 18 and name HN
  ) 3.3 0.7 0.7 volume=0.902 peak=191 ppm1=8.223 ppm2=8.624

assign ( resid 75 and name HN
  )
       ( resid 76 and name HN
  ) 3.0 0.6 0.6 volume=1.393 peak=192 ppm1=8.143 ppm2=9.435

assign ( resid 77 and name HN
  )
       ( resid 76 and name HN
  ) 3.2 0.6 0.6 volume=1.005 peak=193 ppm1=8.057 ppm2=9.435

assign ( resid 68 and name HN
  )
       ( resid 22 and name HN
  ) 3.5 0.7 0.7 volume=0.563 peak=194 ppm1=8.165 ppm2=9.289

assign ( resid 81 and name HN
  )
       ( resid 82 and name HN
  ) 3.1 0.6 0.6 volume=1.105 peak=195 ppm1=8.442 ppm2=9.251

assign ( resid 25 and name HN
  )
       ( resid 24 and name HN
  ) 3.3 0.7 0.7 volume=0.825 peak=196 ppm1=8.403 ppm2=9.008

assign ( resid 25 and name HN
  or resid 48 and name HN
  )
       ( resid 49 and name HN
  ) 3.6 0.7 0.7 volume=0.535 peak=197 ppm1=8.393 ppm2=9.178

assign ( resid 58 and name HN
  )
       ( resid 66 and name HN
  ) 3.6 0.7 0.7 volume=0.466 peak=198 ppm1=8.557 ppm2=9.072

assign ( resid 13 and name HN
  )
       ( resid 12 and name HN
  ) 3.5 0.7 0.7 volume=0.554 peak=199 ppm1=8.547 ppm2=9.516

assign ( resid 83 and name HN
  )
       ( resid 82 and name HN
  ) 3.1 0.6 0.6 volume=1.125 peak=200 ppm1=7.196 ppm2=9.252

assign ( resid 72 and name HA
  )
       ( resid 73 and name HN
  ) 3.6 0.7 0.7 volume=0.480 peak=201 ppm1=5.375 ppm2=9.569

assign ( resid 37 and name HB
  )
       ( resid 37 and name HN
  ) 3.2 0.6 0.6 volume=1.044 peak=202 ppm1=2.169 ppm2=8.058

assign ( resid 22 and name HD1#
  )
       ( resid 29 and name HN
  ) 3.9 0.8 0.8 volume=0.901 peak=203 ppm1=1.355 ppm2=7.529

assign ( resid 22 and name HD1#
  )
       ( resid 28 and name HN
  ) 3.7 0.7 0.7 volume=1.170 peak=204 ppm1=1.355 ppm2=7.917

assign ( resid 9 and name HB
  )
       ( resid 9 and name HN
  ) 3.4 0.7 0.7 volume=0.726 peak=205 ppm1=1.766 ppm2=8.550

assign ( resid 38 and name HB2
  )
       ( resid 38 and name HN
  ) 3.6 0.7 0.7 volume=0.530 peak=206 ppm1=1.919 ppm2=8.486

assign ( resid 25 and name HB3
  )
       ( resid 25 and name HN
  ) 3.2 0.6 0.6 volume=1.095 peak=207 ppm1=1.993 ppm2=8.398

assign ( resid 43 and name HB
  )
       ( resid 43 and name HN
  ) 3.2 0.6 0.6 volume=1.037 peak=208 ppm1=1.525 ppm2=8.134

assign ( resid 8 and name HB2
  )
       ( resid 8 and name HN
  ) 3.3 0.7 0.7 volume=0.908 peak=209 ppm1=1.697 ppm2=7.946

assign ( resid 8 and name HG
  )
       ( resid 8 and name HN
  ) 3.4 0.7 0.7 volume=0.702 peak=210 ppm1=1.632 ppm2=7.947

assign ( resid 73 and name HN
  )
       ( resid 72 and name HA
  ) 3.1 0.6 0.6 volume=1.286 peak=211 ppm1=9.565 ppm2=5.374

assign ( resid 46 and name HN
  )
       ( resid 45 and name HA
  ) 3.0 0.6 0.6 volume=1.416 peak=212 ppm1=9.750 ppm2=5.262

assign ( resid 22 and name HN
  )
       ( resid 21 and name HA
  ) 3.0 0.6 0.6 volume=1.464 peak=213 ppm1=9.291 ppm2=5.240

assign ( resid 72 and name HN
  )
       ( resid 71 and name HA
  ) 3.1 0.6 0.6 volume=1.253 peak=214 ppm1=9.337 ppm2=5.001

assign ( resid 24 and name HN
  )
       ( resid 23 and name HA
  ) 3.0 0.6 0.6 volume=1.505 peak=215 ppm1=9.009 ppm2=5.162

assign ( resid 74 and name HN
  )
       ( resid 73 and name HA
  ) 3.0 0.6 0.6 volume=1.344 peak=216 ppm1=9.050 ppm2=5.086

assign ( resid 40 and name HN
  or resid 42 and name HN
  )
       ( resid 41 and name HA
  ) 3.0 0.6 0.6 volume=1.567 peak=217 ppm1=9.003 ppm2=5.064

assign ( resid 47 and name HN
  )
       ( resid 46 and name HA
  ) 3.1 0.6 0.6 volume=1.268 peak=218 ppm1=8.811 ppm2=4.949

assign ( resid 11 and name HN
  )
       ( resid 10 and name HA
  or resid 46 and name HA
  ) 3.0 0.6 0.6 volume=1.464 peak=219 ppm1=8.759 ppm2=4.922

assign ( resid 67 and name HN
  or resid 69 and name HN
  )
       ( resid 68 and name HA
  ) 2.6 0.5 0.5 volume=3.797 peak=220 ppm1=8.492 ppm2=5.183

assign ( resid 65 and name HN
  )
       ( resid 64 and name HA
  ) 2.8 0.6 0.6 volume=2.424 peak=221 ppm1=8.601 ppm2=5.047

assign ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  )
       ( resid 19 and name HA
  ) 2.9 0.6 0.6 volume=1.683 peak=222 ppm1=8.133 ppm2=4.996

assign ( resid 20 and name HN
  )
       ( resid 19 and name HA
  ) 3.0 0.6 0.6 volume=1.626 peak=223 ppm1=7.985 ppm2=4.991

assign ( resid 16 and name HN
  )
       ( resid 46 and name HA
  ) 3.1 0.6 0.6 volume=1.260 peak=224 ppm1=8.258 ppm2=4.949

assign ( resid 37 and name HN
  )
       ( resid 36 and name HA
  ) 3.3 0.7 0.7 volume=0.779 peak=225 ppm1=8.056 ppm2=4.938

assign ( resid 45 and name HN
  )
       ( resid 44 and name HA
  ) 2.9 0.6 0.6 volume=1.728 peak=226 ppm1=8.139 ppm2=5.142

assign ( resid 70 and name HN
  )
       ( resid 21 and name HA
  ) 3.4 0.7 0.7 volume=0.753 peak=227 ppm1=8.241 ppm2=5.241

assign ( resid 86 and name HN
  )
       ( resid 86 and name HA
  ) 3.1 0.6 0.6 volume=1.138 peak=228 ppm1=8.833 ppm2=4.362

assign ( resid 86 and name HN
  )
       ( resid 85 and name HA2
  ) 3.4 0.7 0.7 volume=0.727 peak=229 ppm1=8.832 ppm2=4.307

assign ( resid 60 and name HN
  )
       ( resid 60 and name HA
  ) 3.4 0.7 0.7 volume=0.666 peak=230 ppm1=8.888 ppm2=4.262

assign ( resid 59 and name HN
  )
       ( resid 58 and name HA
  ) 3.0 0.6 0.6 volume=1.601 peak=231 ppm1=8.885 ppm2=4.226

assign ( resid 16 and name HN
  )
       ( resid 16 and name HA2
  ) 3.3 0.7 0.7 volume=0.824 peak=232 ppm1=8.255 ppm2=4.563

assign ( resid 17 and name HN
  )
       ( resid 16 and name HA2
  ) 3.3 0.7 0.7 volume=0.883 peak=233 ppm1=8.225 ppm2=4.564

assign ( resid 19 and name HN
  )
       ( resid 18 and name HA
  ) 2.5 0.5 0.5 volume=4.223 peak=234 ppm1=8.122 ppm2=4.372

assign ( resid 92 and name HN
  or resid 97 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  )
       ( resid 92 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  ) 3.3 0.7 0.7 volume=0.782 peak=235 ppm1=8.249 ppm2=4.316

assign ( resid 26 and name HN
  )
       ( resid 25 and name HA
  ) 3.4 0.7 0.7 volume=0.710 peak=236 ppm1=8.294 ppm2=4.294

assign ( resid 19 and name HN
  )
       ( resid 19 and name HB
  ) 3.2 0.6 0.6 volume=1.024 peak=237 ppm1=8.123 ppm2=4.182

assign ( resid 26 and name HN
  )
       ( resid 26 and name HA
  ) 3.3 0.7 0.7 volume=0.868 peak=238 ppm1=8.294 ppm2=4.061

assign ( resid 65 and name HN
  )
       ( resid 65 and name HA
  ) 3.3 0.7 0.7 volume=0.804 peak=239 ppm1=8.600 ppm2=4.000

assign ( resid 58 and name HN
  )
       ( resid 65 and name HA
  ) 3.4 0.7 0.7 volume=0.725 peak=240 ppm1=8.557 ppm2=4.000

assign ( resid 38 and name HN
  )
       ( resid 37 and name HA
  ) 2.7 0.5 0.5 volume=2.826 peak=241 ppm1=8.486 ppm2=3.994

assign ( resid 66 and name HN
  )
       ( resid 65 and name HA
  ) 2.7 0.5 0.5 volume=2.929 peak=242 ppm1=9.069 ppm2=3.999

assign ( resid 49 and name HN
  )
       ( resid 49 and name HA
  ) 3.4 0.7 0.7 volume=0.675 peak=243 ppm1=9.182 ppm2=3.945

assign ( resid 12 and name HN
  )
       ( resid 12 and name HA
  ) 3.0 0.6 0.6 volume=1.477 peak=244 ppm1=9.516 ppm2=3.743

assign ( resid 11 and name HN
  )
       ( resid 11 and name HA
  ) 3.2 0.6 0.6 volume=0.912 peak=245 ppm1=8.762 ppm2=3.841

assign ( resid 86 and name HN
  )
       ( resid 12 and name HA
  ) 3.4 0.7 0.7 volume=0.693 peak=246 ppm1=8.832 ppm2=3.744

assign ( resid 78 and name HN
  )
       ( resid 78 and name HA
  ) 3.0 0.6 0.6 volume=1.589 peak=247 ppm1=8.205 ppm2=3.831

assign ( resid 17 and name HN
  )
       ( resid 16 and name HA1
  ) 3.2 0.6 0.6 volume=1.097 peak=248 ppm1=8.222 ppm2=3.816

assign ( resid 16 and name HN
  )
       ( resid 15 and name HA
  ) 3.0 0.6 0.6 volume=1.603 peak=249 ppm1=8.259 ppm2=3.696

assign ( resid 58 and name HN
  )
       ( resid 58 and name HB3
  ) 3.3 0.7 0.7 volume=0.801 peak=250 ppm1=8.557 ppm2=3.347

assign ( resid 86 and name HN
  )
       ( resid 85 and name HA1
  ) 3.4 0.7 0.7 volume=0.714 peak=251 ppm1=8.833 ppm2=3.362

assign ( resid 24 and name HN
  )
       ( resid 23 and name HB3
  ) 3.1 0.6 0.6 volume=1.201 peak=252 ppm1=9.009 ppm2=3.478

assign ( resid 66 and name HN
  )
       ( resid 66 and name HA1
  ) 3.2 0.6 0.6 volume=1.044 peak=253 ppm1=9.070 ppm2=3.199

assign ( resid 49 and name HN
  )
       ( resid 49 and name HB3
  ) 3.2 0.6 0.6 volume=1.033 peak=254 ppm1=9.181 ppm2=3.003

assign ( resid 86 and name HN
  )
       ( resid 86 and name HB2
  ) 3.4 0.7 0.7 volume=0.739 peak=255 ppm1=8.832 ppm2=3.131

assign ( resid 47 and name HN
  )
       ( resid 46 and name HB2
  ) 3.3 0.7 0.7 volume=0.814 peak=256 ppm1=8.812 ppm2=3.217

assign ( resid 11 and name HN
  )
       ( resid 11 and name HB2
  ) 3.4 0.7 0.7 volume=0.712 peak=257 ppm1=8.760 ppm2=2.869

assign ( resid 86 and name HN
  )
       ( resid 11 and name HB3
  or resid 49 and name HB2
  or resid 86 and name HB3
  ) 3.2 0.6 0.6 volume=1.019 peak=258 ppm1=8.833 ppm2=2.731

assign ( resid 11 and name HN
  )
       ( resid 11 and name HB3
  ) 3.1 0.6 0.6 volume=1.189 peak=259 ppm1=8.760 ppm2=2.734

assign ( resid 24 and name HN
  or resid 40 and name HN
  )
       ( resid 23 and name HB2
  or resid 40 and name HE2
  or resid 71 and name HB3
  ) 3.4 0.7 0.7 volume=0.748 peak=260 ppm1=9.007 ppm2=2.615

assign ( resid 12 and name HN
  )
       ( resid 11 and name HB3
  or resid 86 and name HB3
  ) 3.3 0.7 0.7 volume=0.793 peak=261 ppm1=9.516 ppm2=2.731

assign ( resid 76 and name HN
  )
       ( resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  ) 3.3 0.7 0.7 volume=0.894 peak=262 ppm1=9.434 ppm2=2.675

assign ( resid 46 and name HN
  )
       ( resid 18 and name HG2
  or resid 45 and name HB
  or resid 46 and name HB3
  ) 3.0 0.6 0.6 volume=1.461 peak=263 ppm1=9.749 ppm2=2.417

assign ( resid 60 and name HN
  )
       ( resid 60 and name HB
  ) 3.2 0.6 0.6 volume=0.915 peak=264 ppm1=8.887 ppm2=2.125

assign ( resid 24 and name HN
  )
       ( resid 24 and name HB3
  or resid 24 and name HB2
  ) 2.8 0.6 0.6 volume=2.407 peak=265 ppm1=9.010 ppm2=2.098

assign ( resid 65 and name HN
  )
       ( resid 64 and name HB2
  ) 3.4 0.7 0.7 volume=0.751 peak=266 ppm1=8.601 ppm2=2.864

assign ( resid 30 and name HN
  )
       ( resid 30 and name HB3
  or resid 76 and name HB2
  ) 3.4 0.7 0.7 volume=0.725 peak=267 ppm1=8.015 ppm2=3.171

assign ( resid 30 and name HN
  )
       ( resid 30 and name HB2
  ) 3.3 0.7 0.7 volume=0.813 peak=268 ppm1=8.014 ppm2=3.480

assign ( resid 85 and name HN
  )
       ( resid 85 and name HA1
  ) 3.3 0.7 0.7 volume=0.868 peak=269 ppm1=7.783 ppm2=3.354

assign ( resid 28 and name HN
  )
       ( resid 28 and name HA2
  ) 3.1 0.6 0.6 volume=1.128 peak=270 ppm1=7.917 ppm2=3.732

assign ( resid 58 and name HN
  )
       ( resid 58 and name HB2
  ) 3.3 0.7 0.7 volume=0.872 peak=271 ppm1=8.557 ppm2=2.657

assign ( resid 38 and name HN
  )
       ( resid 38 and name HB3
  ) 3.4 0.7 0.7 volume=0.649 peak=272 ppm1=8.486 ppm2=1.883

assign ( resid 10 and name HN
  )
       ( resid 10 and name HB3
  ) 3.1 0.6 0.6 volume=1.176 peak=273 ppm1=8.342 ppm2=1.799

assign ( resid 75 and name HN
  )
       ( resid 75 and name HB3
  ) 3.0 0.6 0.6 volume=1.470 peak=274 ppm1=8.144 ppm2=2.257

assign ( resid 61 and name HN
  )
       ( resid 60 and name HB
  ) 3.3 0.7 0.7 volume=0.881 peak=275 ppm1=8.173 ppm2=2.127

assign ( resid 19 and name HN
  )
       ( resid 18 and name HB2
  ) 3.3 0.7 0.7 volume=0.813 peak=276 ppm1=8.122 ppm2=2.070

assign ( resid 26 and name HN
  )
       ( resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  ) 3.4 0.7 0.7 volume=0.752 peak=277 ppm1=8.294 ppm2=2.094

assign ( resid 10 and name HN
  )
       ( resid 10 and name HB2
  ) 3.5 0.7 0.7 volume=0.633 peak=278 ppm1=8.342 ppm2=1.963

assign ( resid 74 and name HN
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  ) 3.5 0.7 0.7 volume=0.812 peak=279 ppm1=9.050 ppm2=1.244

assign ( resid 38 and name HN
  )
       ( resid 37 and name HG1#
  ) 3.5 0.7 0.7 volume=1.670 peak=280 ppm1=8.487 ppm2=1.244

assign ( resid 75 and name HN
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  ) 3.3 0.7 0.7 volume=1.344 peak=281 ppm1=8.144 ppm2=1.244

assign ( resid 38 and name HN
  )
       ( resid 37 and name HG2#
  ) 3.6 0.7 0.7 volume=1.512 peak=282 ppm1=8.489 ppm2=1.082

assign ( resid 66 and name HN
  )
       ( resid 65 and name HG1#
  ) 3.9 0.8 0.8 volume=0.934 peak=283 ppm1=9.070 ppm2=1.041

assign ( resid 65 and name HN
  )
       ( resid 65 and name HG1#
  ) 3.3 0.7 0.7 volume=2.659 peak=284 ppm1=8.600 ppm2=1.040

assign ( resid 66 and name HN
  )
       ( resid 65 and name HG2#
  ) 3.8 0.8 0.8 volume=1.158 peak=285 ppm1=9.069 ppm2=0.968

assign ( resid 65 and name HN
  )
       ( resid 65 and name HG2#
  ) 3.6 0.7 0.7 volume=1.465 peak=286 ppm1=8.603 ppm2=0.962

assign ( resid 17 and name HN
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  ) 3.2 0.6 0.6 volume=2.986 peak=287 ppm1=8.223 ppm2=0.939

assign ( resid 63 and name HN
  )
       ( resid 63 and name HD1#
  ) 4.1 0.8 0.8 volume=0.652 peak=288 ppm1=8.406 ppm2=0.920

assign ( resid 63 and name HN
  )
       ( resid 63 and name HD2#
  ) 3.9 0.8 0.8 volume=0.880 peak=289 ppm1=8.402 ppm2=0.882

assign ( resid 11 and name HN
  )
       ( resid 12 and name HD2#
  or resid 90 and name HD2#
  ) 4.0 0.8 0.8 volume=0.775 peak=290 ppm1=8.762 ppm2=0.870

assign ( resid 46 and name HN
  )
       ( resid 45 and name HG2#
  ) 4.1 0.8 0.8 volume=0.689 peak=291 ppm1=9.749 ppm2=0.792

assign ( resid 46 and name HN
  )
       ( resid 45 and name HG1#
  ) 4.1 0.8 0.8 volume=0.714 peak=292 ppm1=9.750 ppm2=0.634

assign ( resid 12 and name HN
  )
       ( resid 12 and name HD1#
  ) 3.8 0.8 0.8 volume=1.150 peak=293 ppm1=9.517 ppm2=0.616

assign ( resid 22 and name HN
  )
       ( resid 21 and name HD1#
  ) 4.0 0.8 0.8 volume=0.754 peak=294 ppm1=9.290 ppm2=0.591

assign ( resid 21 and name HN
  )
       ( resid 21 and name HD2#
  ) 3.8 0.8 0.8 volume=1.010 peak=295 ppm1=8.493 ppm2=0.720

assign ( resid 21 and name HN
  or resid 69 and name HN
  )
       ( resid 21 and name HD1#
  or resid 59 and name HD1#
  ) 3.6 0.7 0.7 volume=1.432 peak=296 ppm1=8.494 ppm2=0.589

assign ( resid 43 and name HN
  or resid 45 and name HN
  )
       ( resid 42 and name HG3
  or resid 45 and name HG2#
  ) 3.4 0.7 0.7 volume=1.113 peak=297 ppm1=8.139 ppm2=0.791

assign ( resid 19 and name HN
  or resid 45 and name HN
  )
       ( resid 45 and name HG1#
  ) 3.3 0.7 0.7 volume=2.375 peak=298 ppm1=8.140 ppm2=0.635

assign ( resid 70 and name HN
  )
       ( resid 21 and name HD1#
  or resid 59 and name HD1#
  ) 4.0 0.8 0.8 volume=0.809 peak=299 ppm1=8.242 ppm2=0.590

assign ( resid 8 and name HN
  )
       ( resid 8 and name HD1#
  or resid 89 and name HG2#
  ) 3.9 0.8 0.8 volume=0.860 peak=300 ppm1=7.947 ppm2=0.913

assign ( resid 8 and name HN
  )
       ( resid 8 and name HD2#
  ) 3.9 0.8 0.8 volume=0.895 peak=301 ppm1=7.947 ppm2=0.833

assign ( resid 37 and name HN
  )
       ( resid 37 and name HG1#
  ) 3.9 0.8 0.8 volume=0.960 peak=302 ppm1=8.059 ppm2=1.243

assign ( resid 37 and name HN
  )
       ( resid 37 and name HG2#
  ) 3.2 0.6 0.6 volume=2.934 peak=303 ppm1=8.058 ppm2=1.087

assign ( resid 43 and name HN
  )
       ( resid 43 and name HG1#
  ) 4.1 0.8 0.8 volume=0.717 peak=304 ppm1=8.138 ppm2=0.451

assign ( resid 86 and name HN
  )
       ( resid 12 and name HD1#
  ) 4.4 0.9 0.9 volume=0.446 peak=305 ppm1=8.831 ppm2=0.616

assign ( resid 59 and name HN
  )
       ( resid 59 and name HD1#
  ) 4.2 0.8 0.8 volume=0.566 peak=306 ppm1=8.888 ppm2=0.578

assign ( resid 11 and name HN
  )
       ( resid 90 and name HD1#
  ) 4.2 0.8 0.8 volume=0.565 peak=307 ppm1=8.761 ppm2=0.737

assign ( resid 60 and name HN
  or resid 71 and name HN
  )
       ( resid 42 and name HG3
  or resid 60 and name HD1#
  ) 3.9 0.8 0.8 volume=0.492 peak=308 ppm1=8.890 ppm2=0.779

assign ( resid 90 and name HN
  )
       ( resid 90 and name HD1#
  ) 4.2 0.8 0.8 volume=0.597 peak=309 ppm1=8.885 ppm2=0.738

assign ( resid 66 and name HN
  )
       ( resid 21 and name HD2#
  ) 4.2 0.8 0.8 volume=0.553 peak=310 ppm1=9.071 ppm2=0.717

assign ( resid 12 and name HN
  )
       ( resid 12 and name HD2#
  ) 4.4 0.9 0.9 volume=0.449 peak=311 ppm1=9.520 ppm2=0.875

assign ( resid 22 and name HN
  )
       ( resid 21 and name HB3
  ) 3.5 0.7 0.7 volume=0.568 peak=312 ppm1=9.290 ppm2=1.086

assign ( resid 12 and name HN
  )
       ( resid 12 and name HG
  ) 3.7 0.7 0.7 volume=0.394 peak=313 ppm1=9.516 ppm2=1.295

assign ( resid 12 and name HN
  )
       ( resid 12 and name HB3
  ) 3.7 0.7 0.7 volume=0.410 peak=314 ppm1=9.517 ppm2=1.757

assign ( resid 36 and name HN
  )
       ( resid 37 and name HG2#
  ) 4.3 0.9 0.9 volume=0.483 peak=315 ppm1=8.720 ppm2=1.084

assign ( resid 50 and name HN
  )
       ( resid 45 and name HG1#
  ) 4.2 0.8 0.8 volume=0.596 peak=316 ppm1=7.853 ppm2=0.634

assign ( resid 85 and name HN
  )
       ( resid 12 and name HD1#
  ) 4.3 0.9 0.9 volume=0.486 peak=317 ppm1=7.787 ppm2=0.615

assign ( resid 44 and name HN
  )
       ( resid 43 and name HG1#
  ) 4.0 0.8 0.8 volume=0.773 peak=318 ppm1=7.601 ppm2=0.450

assign ( resid 20 and name HN
  )
       ( resid 43 and name HG1#
  ) 4.3 0.9 0.9 volume=0.483 peak=319 ppm1=7.984 ppm2=0.448

assign ( resid 8 and name HN
  )
       ( resid 8 and name HB3
  ) 3.2 0.6 0.6 volume=0.953 peak=320 ppm1=7.948 ppm2=1.447

assign ( resid 18 and name HE21
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  ) 4.2 0.8 0.8 volume=0.562 peak=321 ppm1=7.718 ppm2=0.937

assign ( resid 79 and name HN
  )
       ( resid 79 and name HD1#
  ) 3.9 0.8 0.8 volume=0.895 peak=322 ppm1=7.626 ppm2=0.919

assign ( resid 79 and name HN
  )
       ( resid 79 and name HD2#
  ) 3.9 0.8 0.8 volume=0.879 peak=323 ppm1=7.627 ppm2=0.871

assign ( resid 91 and name HD22
  )
       ( resid 8 and name HD2#
  ) 4.1 0.8 0.8 volume=0.689 peak=324 ppm1=6.963 ppm2=0.825

assign ( resid 27 and name HN
  )
       ( resid 22 and name HD1#
  ) 4.4 0.9 0.9 volume=0.449 peak=325 ppm1=7.181 ppm2=1.353

assign ( resid 55 and name HN
  )
       ( resid 55 and name HB#
  ) 3.0 0.6 0.6 volume=4.645 peak=326 ppm1=7.320 ppm2=1.333

assign ( resid 83 and name HN
  )
       ( resid 83 and name HG3
  ) 3.4 0.7 0.7 volume=0.751 peak=327 ppm1=7.197 ppm2=1.286

assign ( resid 74 and name HD1
  or resid 74 and name HH2
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  ) 3.8 0.8 0.8 volume=0.550 peak=328 ppm1=7.270 ppm2=1.241

assign ( resid 83 and name HN
  )
       ( resid 83 and name HG2
  ) 3.5 0.7 0.7 volume=0.613 peak=329 ppm1=7.195 ppm2=1.198

assign ( resid 71 and name HE#
  )
       ( resid 42 and name HG3
  ) 4.1 0.8 0.8 volume=0.439 peak=330 ppm1=7.277 ppm2=0.776

assign ( resid 45 and name HN
  )
       ( resid 45 and name HA
  ) 3.7 0.7 0.7 volume=0.450 peak=331 ppm1=8.139 ppm2=5.261

assign ( resid 21 and name HN
  )
       ( resid 21 and name HA
  ) 3.6 0.7 0.7 volume=0.530 peak=332 ppm1=8.496 ppm2=5.242

assign ( resid 30 and name HN
  )
       ( resid 30 and name HA
  ) 3.6 0.7 0.7 volume=0.531 peak=333 ppm1=8.016 ppm2=5.219

assign ( resid 23 and name HN
  )
       ( resid 23 and name HA
  ) 3.6 0.7 0.7 volume=0.512 peak=334 ppm1=9.604 ppm2=5.161

assign ( resid 88 and name HN
  )
       ( resid 87 and name HA
  ) 3.7 0.7 0.7 volume=0.451 peak=335 ppm1=7.800 ppm2=5.098

assign ( resid 73 and name HN
  )
       ( resid 73 and name HA
  ) 3.6 0.7 0.7 volume=0.532 peak=336 ppm1=9.565 ppm2=5.087

assign ( resid 41 and name HN
  )
       ( resid 41 and name HA
  ) 3.5 0.7 0.7 volume=0.551 peak=337 ppm1=7.645 ppm2=5.065

assign ( resid 71 and name HD#
  )
       ( resid 41 and name HA
  ) 3.8 0.8 0.8 volume=0.662 peak=338 ppm1=6.929 ppm2=5.059

assign ( resid 64 and name HN
  )
       ( resid 64 and name HA
  ) 3.5 0.7 0.7 volume=0.608 peak=339 ppm1=6.914 ppm2=5.048

assign ( resid 46 and name HN
  )
       ( resid 46 and name HA
  ) 3.7 0.7 0.7 volume=0.441 peak=340 ppm1=9.748 ppm2=4.950

assign ( resid 90 and name HN
  )
       ( resid 10 and name HA
  ) 3.6 0.7 0.7 volume=0.494 peak=341 ppm1=8.893 ppm2=4.926

assign ( resid 10 and name HN
  )
       ( resid 10 and name HA
  ) 3.6 0.7 0.7 volume=0.519 peak=342 ppm1=8.341 ppm2=4.922

assign ( resid 33 and name HN
  )
       ( resid 33 and name HA
  ) 3.4 0.7 0.7 volume=0.681 peak=343 ppm1=7.654 ppm2=4.874

assign ( resid 36 and name HD#
  )
       ( resid 35 and name HA
  ) 4.1 0.8 0.8 volume=0.461 peak=344 ppm1=7.151 ppm2=4.619

assign ( resid 8 and name HN
  )
       ( resid 7 and name HA
  ) 2.7 0.5 0.5 volume=2.811 peak=345 ppm1=7.947 ppm2=4.598

assign ( resid 84 and name HN
  )
       ( resid 84 and name HA
  ) 3.4 0.7 0.7 volume=0.714 peak=346 ppm1=7.560 ppm2=4.463

assign ( resid 85 and name HN
  )
       ( resid 84 and name HA
  ) 3.5 0.7 0.7 volume=0.586 peak=347 ppm1=7.782 ppm2=4.457

assign ( resid 28 and name HN
  )
       ( resid 28 and name HA1
  ) 3.3 0.7 0.7 volume=0.833 peak=348 ppm1=7.917 ppm2=4.426

assign ( resid 29 and name HN
  )
       ( resid 28 and name HA1
  ) 3.6 0.7 0.7 volume=0.464 peak=349 ppm1=7.531 ppm2=4.419

assign ( resid 36 and name HD#
  )
       ( resid 28 and name HA1
  ) 3.9 0.8 0.8 volume=0.654 peak=350 ppm1=7.152 ppm2=4.422

assign ( resid 36 and name HE#
  )
       ( resid 28 and name HA1
  ) 3.9 0.8 0.8 volume=0.576 peak=351 ppm1=6.903 ppm2=4.422

assign ( resid 85 and name HN
  )
       ( resid 85 and name HA2
  ) 3.3 0.7 0.7 volume=0.826 peak=352 ppm1=7.784 ppm2=4.313

assign ( resid 74 and name HN
  )
       ( resid 39 and name HA
  ) 3.7 0.7 0.7 volume=0.452 peak=353 ppm1=9.050 ppm2=4.304

assign ( resid 36 and name HN
  )
       ( resid 35 and name HB2
  ) 3.6 0.7 0.7 volume=0.491 peak=354 ppm1=8.721 ppm2=4.305

assign ( resid 56 and name HN
  )
       ( resid 56 and name HA
  ) 3.4 0.7 0.7 volume=0.687 peak=355 ppm1=7.852 ppm2=4.282

assign ( resid 84 and name HN
  )
       ( resid 83 and name HA
  ) 3.6 0.7 0.7 volume=0.519 peak=356 ppm1=7.560 ppm2=4.277

assign ( resid 27 and name HN
  )
       ( resid 27 and name HA
  ) 3.1 0.6 0.6 volume=1.331 peak=357 ppm1=7.183 ppm2=4.262

assign ( resid 50 and name HN
  )
       ( resid 50 and name HA
  ) 3.1 0.6 0.6 volume=1.195 peak=358 ppm1=7.854 ppm2=4.237

assign ( resid 82 and name HN
  )
       ( resid 81 and name HA
  ) 3.6 0.7 0.7 volume=0.510 peak=359 ppm1=9.252 ppm2=4.180

assign ( resid 37 and name HN
  )
       ( resid 37 and name HA
  ) 3.2 0.6 0.6 volume=1.050 peak=360 ppm1=8.057 ppm2=3.996

assign ( resid 81 and name HN
  )
       ( resid 80 and name HA1
  ) 3.6 0.7 0.7 volume=0.463 peak=361 ppm1=8.440 ppm2=3.977

assign ( resid 80 and name HN
  )
       ( resid 80 and name HA1
  ) 3.0 0.6 0.6 volume=1.524 peak=362 ppm1=7.719 ppm2=3.977

assign ( resid 12 and name HN
  )
       ( resid 11 and name HA
  ) 3.6 0.7 0.7 volume=0.475 peak=363 ppm1=9.521 ppm2=3.842

assign ( resid 79 and name HN
  )
       ( resid 78 and name HA
  ) 3.7 0.7 0.7 volume=0.447 peak=364 ppm1=7.627 ppm2=3.829

assign ( resid 16 and name HN
  )
       ( resid 16 and name HA1
  ) 3.5 0.7 0.7 volume=0.621 peak=365 ppm1=8.255 ppm2=3.815

assign ( resid 29 and name HN
  )
       ( resid 28 and name HA2
  ) 3.6 0.7 0.7 volume=0.460 peak=366 ppm1=7.530 ppm2=3.739

assign ( resid 72 and name HE#
  )
       ( resid 43 and name HA
  ) 3.3 0.7 0.7 volume=1.768 peak=367 ppm1=6.888 ppm2=3.602

assign ( resid 74 and name HN
  )
       ( resid 73 and name HB3
  ) 3.5 0.7 0.7 volume=0.598 peak=368 ppm1=9.050 ppm2=3.398

assign ( resid 75 and name HN
  )
       ( resid 74 and name HB3
  ) 3.6 0.7 0.7 volume=0.507 peak=369 ppm1=8.142 ppm2=3.355

assign ( resid 23 and name HN
  )
       ( resid 58 and name HB3
  ) 3.6 0.7 0.7 volume=0.523 peak=370 ppm1=9.603 ppm2=3.345

assign ( resid 62 and name HN
  )
       ( resid 58 and name HB3
  ) 3.7 0.7 0.7 volume=0.440 peak=371 ppm1=7.841 ppm2=3.347

assign ( resid 26 and name HN
  )
       ( resid 26 and name HB2
  ) 3.4 0.7 0.7 volume=0.696 peak=372 ppm1=8.294 ppm2=3.265

assign ( resid 6 and name HD#
  )
       ( resid 6 and name HB2
  ) 3.3 0.7 0.7 volume=1.590 peak=373 ppm1=7.235 ppm2=3.226

assign ( resid 51 and name HD#
  )
       ( resid 51 and name HB2
  ) 3.3 0.7 0.7 volume=1.593 peak=374 ppm1=7.326 ppm2=3.208

assign ( resid 61 and name HN
  or resid 68 and name HN
  )
       ( resid 61 and name HB2
  or resid 66 and name HA1
  ) 3.5 0.7 0.7 volume=0.576 peak=375 ppm1=8.172 ppm2=3.197

assign ( resid 77 and name HN
  )
       ( resid 76 and name HB2
  ) 3.5 0.7 0.7 volume=0.565 peak=376 ppm1=8.054 ppm2=3.173

assign ( resid 73 and name HN
  )
       ( resid 32 and name HB
  or resid 73 and name HB2
  ) 3.5 0.7 0.7 volume=0.587 peak=377 ppm1=9.567 ppm2=3.131

assign ( resid 74 and name HN
  )
       ( resid 73 and name HB2
  ) 3.7 0.7 0.7 volume=0.436 peak=378 ppm1=9.047 ppm2=3.134

assign ( resid 13 and name HN
  )
       ( resid 86 and name HB2
  ) 3.5 0.7 0.7 volume=0.547 peak=379 ppm1=8.545 ppm2=3.125

assign ( resid 51 and name HD#
  )
       ( resid 51 and name HB3
  ) 3.4 0.7 0.7 volume=1.447 peak=380 ppm1=7.325 ppm2=3.109

assign ( resid 4 and name HD2
  )
       ( resid 4 and name HB3
  ) 3.4 0.7 0.7 volume=0.689 peak=381 ppm1=6.875 ppm2=3.047

assign ( resid 71 and name HZ
  )
       ( resid 42 and name HE2
  ) 3.4 0.7 0.7 volume=0.749 peak=382 ppm1=7.326 ppm2=2.992

assign ( resid 71 and name HE#
  )
       ( resid 42 and name HE2
  ) 4.1 0.8 0.8 volume=0.459 peak=383 ppm1=7.280 ppm2=2.990

assign ( resid 6 and name HD#
  )
       ( resid 6 and name HB3
  ) 3.2 0.6 0.6 volume=1.995 peak=384 ppm1=7.235 ppm2=2.981

assign ( resid 20 and name HN
  )
       ( resid 20 and name HA1
  ) 3.3 0.7 0.7 volume=0.764 peak=385 ppm1=7.986 ppm2=2.925

assign ( resid 12 and name HN
  )
       ( resid 11 and name HB2
  ) 3.6 0.7 0.7 volume=0.530 peak=386 ppm1=9.517 ppm2=2.865

assign ( resid 71 and name HZ
  )
       ( resid 42 and name HE3
  or resid 71 and name HB2
  ) 3.5 0.7 0.7 volume=0.597 peak=387 ppm1=7.325 ppm2=2.862

assign ( resid 26 and name HN
  )
       ( resid 26 and name HB3
  ) 3.3 0.7 0.7 volume=0.768 peak=388 ppm1=8.296 ppm2=2.831

assign ( resid 91 and name HD21
  )
       ( resid 91 and name HB2
  ) 3.6 0.7 0.7 volume=0.491 peak=389 ppm1=7.571 ppm2=2.767

assign ( resid 49 and name HN
  )
       ( resid 11 and name HB3
  or resid 49 and name HB2
  or resid 86 and name HB3
  ) 3.6 0.7 0.7 volume=0.513 peak=390 ppm1=9.180 ppm2=2.753

assign ( resid 46 and name HN
  )
       ( resid 11 and name HB3
  or resid 49 and name HB2
  or resid 86 and name HB3
  ) 3.6 0.7 0.7 volume=0.522 peak=391 ppm1=9.748 ppm2=2.734

assign ( resid 13 and name HN
  )
       ( resid 11 and name HB3
  or resid 86 and name HB3
  ) 3.6 0.7 0.7 volume=0.533 peak=392 ppm1=8.548 ppm2=2.726

assign ( resid 61 and name HN
  )
       ( resid 61 and name HB3
  ) 3.4 0.7 0.7 volume=0.675 peak=393 ppm1=8.177 ppm2=2.721

assign ( resid 84 and name HN
  )
       ( resid 84 and name HB2
  or resid 84 and name HB3
  ) 2.9 0.6 0.6 volume=1.744 peak=394 ppm1=7.560 ppm2=2.667

assign ( resid 23 and name HN
  )
       ( resid 58 and name HB2
  ) 3.6 0.7 0.7 volume=0.478 peak=395 ppm1=9.604 ppm2=2.656

assign ( resid 77 and name HN
  )
       ( resid 77 and name HB2
  or resid 77 and name HB3
  ) 3.1 0.6 0.6 volume=1.224 peak=396 ppm1=8.057 ppm2=2.642

assign ( resid 8 and name HN
  )
       ( resid 7 and name HB2
  ) 3.6 0.7 0.7 volume=0.502 peak=397 ppm1=7.944 ppm2=2.643

assign ( resid 23 and name HN
  )
       ( resid 23 and name HB2
  ) 3.6 0.7 0.7 volume=0.491 peak=398 ppm1=9.605 ppm2=2.608

assign ( resid 8 and name HN
  )
       ( resid 7 and name HB3
  ) 3.7 0.7 0.7 volume=0.433 peak=399 ppm1=7.944 ppm2=2.610

assign ( resid 18 and name HN
  )
       ( resid 18 and name HG2
  or resid 45 and name HB
  ) 3.7 0.7 0.7 volume=0.449 peak=400 ppm1=8.623 ppm2=2.428

assign ( resid 19 and name HN
  )
       ( resid 18 and name HG2
  ) 3.5 0.7 0.7 volume=0.583 peak=401 ppm1=8.125 ppm2=2.432

assign ( resid 47 and name HN
  )
       ( resid 46 and name HB3
  ) 3.6 0.7 0.7 volume=0.473 peak=402 ppm1=8.812 ppm2=2.420

assign ( resid 45 and name HN
  or resid 75 and name HN
  )
       ( resid 45 and name HB
  or resid 75 and name HG3
  ) 3.4 0.7 0.7 volume=0.651 peak=403 ppm1=8.144 ppm2=2.418

assign ( resid 24 and name HN
  )
       ( resid 24 and name HG2
  ) 3.6 0.7 0.7 volume=0.489 peak=404 ppm1=9.010 ppm2=2.376

assign ( resid 75 and name HN
  )
       ( resid 75 and name HG2
  ) 3.6 0.7 0.7 volume=0.463 peak=405 ppm1=8.142 ppm2=2.375

assign ( resid 17 and name HN
  )
       ( resid 17 and name HB
  ) 3.5 0.7 0.7 volume=0.568 peak=406 ppm1=8.219 ppm2=2.258

assign ( resid 70 and name HN
  )
       ( resid 69 and name HB3
  ) 3.5 0.7 0.7 volume=0.539 peak=407 ppm1=8.244 ppm2=2.160

assign ( resid 71 and name HE#
  )
       ( resid 69 and name HB3
  ) 3.9 0.8 0.8 volume=0.651 peak=408 ppm1=7.281 ppm2=2.158

assign ( resid 66 and name HN
  )
       ( resid 65 and name HB
  ) 3.6 0.7 0.7 volume=0.463 peak=409 ppm1=9.070 ppm2=1.995

assign ( resid 65 and name HN
  )
       ( resid 65 and name HB
  ) 2.8 0.6 0.6 volume=2.283 peak=410 ppm1=8.601 ppm2=1.992

assign ( resid 26 and name HN
  )
       ( resid 25 and name HB3
  ) 3.6 0.7 0.7 volume=0.530 peak=411 ppm1=8.293 ppm2=1.993

assign ( resid 19 and name HN
  )
       ( resid 18 and name HB3
  ) 3.5 0.7 0.7 volume=0.561 peak=412 ppm1=8.123 ppm2=1.989

assign ( resid 83 and name HN
  )
       ( resid 83 and name HB2
  ) 3.2 0.6 0.6 volume=0.936 peak=413 ppm1=7.195 ppm2=1.986

assign ( resid 16 and name HN
  )
       ( resid 15 and name HB2
  ) 3.6 0.7 0.7 volume=0.484 peak=414 ppm1=8.260 ppm2=1.977

!assign ( resid 62 and name HD22
!  )
!       ( resid 59 and name HB
!  or resid 88 and name HG2
!  ) 3.7 0.7 0.7 volume=0.425 peak=415 ppm1=6.757 ppm2=1.943

! Commented out DN  2/12/07


assign ( resid 38 and name HN
  )
       ( resid 38 and name HB2
  ) 3.7 0.7 0.7 volume=0.435 peak=416 ppm1=8.484 ppm2=1.921

assign ( resid 72 and name HD#
  )
       ( resid 41 and name HB3
  or resid 82 and name HB2
  ) 3.8 0.8 0.8 volume=0.736 peak=417 ppm1=6.972 ppm2=1.872

assign ( resid 89 and name HN
  )
       ( resid 89 and name HG12
  ) 3.6 0.7 0.7 volume=0.458 peak=418 ppm1=8.772 ppm2=1.766

assign ( resid 64 and name HN
  )
       ( resid 63 and name HB2
  ) 3.3 0.7 0.7 volume=0.858 peak=419 ppm1=6.908 ppm2=1.742

assign ( resid 8 and name HN
  )
       ( resid 8 and name HB2
  ) 3.0 0.6 0.6 volume=1.352 peak=420 ppm1=7.947 ppm2=1.694

assign ( resid 32 and name HN
  )
       ( resid 32 and name HG12
  ) 3.5 0.7 0.7 volume=0.576 peak=421 ppm1=8.619 ppm2=1.662

assign ( resid 83 and name HN
  )
       ( resid 83 and name HB3
  ) 3.1 0.6 0.6 volume=1.108 peak=422 ppm1=7.196 ppm2=1.662

assign ( resid 72 and name HD#
  )
       ( resid 32 and name HG12
  ) 3.9 0.8 0.8 volume=0.656 peak=423 ppm1=6.973 ppm2=1.658

assign ( resid 8 and name HN
  )
       ( resid 8 and name HG
  ) 3.1 0.6 0.6 volume=1.214 peak=424 ppm1=7.948 ppm2=1.634

assign ( resid 64 and name HN
  )
       ( resid 63 and name HB3
  ) 3.5 0.7 0.7 volume=0.612 peak=425 ppm1=6.901 ppm2=1.612

assign ( resid 72 and name HD#
  )
       ( resid 32 and name HG13
  ) 3.7 0.7 0.7 volume=0.889 peak=426 ppm1=6.974 ppm2=1.555

assign ( resid 71 and name HE#
  )
       ( resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  ) 4.1 0.8 0.8 volume=0.453 peak=427 ppm1=7.277 ppm2=1.511

assign ( resid 22 and name HA
  )
       ( resid 22 and name HB3
  ) 3.7 0.7 0.7 volume=0.426 peak=428 ppm1=6.019 ppm2=1.508

assign ( resid 44 and name HN
  )
       ( resid 42 and name HB2
  or resid 44 and name HG3
  ) 3.6 0.7 0.7 volume=0.456 peak=429 ppm1=7.601 ppm2=1.464

assign ( resid 22 and name HA
  )
       ( resid 22 and name HD2#
  ) 3.7 0.7 0.7 volume=1.349 peak=430 ppm1=6.028 ppm2=1.034

assign ( resid 62 and name HD22
  )
       ( resid 63 and name HD1#
  ) 4.3 0.9 0.9 volume=0.505 peak=431 ppm1=6.759 ppm2=0.913

assign ( resid 91 and name HN
  )
       ( resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  ) 4.2 0.8 0.8 volume=0.615 peak=432 ppm1=8.244 ppm2=0.907

assign ( resid 21 and name HN
  )
       ( resid 45 and name HG2#
  ) 4.4 0.9 0.9 volume=0.431 peak=433 ppm1=8.501 ppm2=0.792

assign ( resid 20 and name HN
  )
       ( resid 45 and name HG2#
  ) 4.4 0.9 0.9 volume=0.422 peak=434 ppm1=7.986 ppm2=0.795

assign ( resid 61 and name HN
  )
       ( resid 60 and name HD1#
  ) 4.3 0.9 0.9 volume=0.485 peak=435 ppm1=8.173 ppm2=0.775

assign ( resid 71 and name HD#
  or resid 72 and name HE#
  )
       ( resid 43 and name HG1#
  ) 4.4 0.9 0.9 volume=0.849 peak=436 ppm1=6.888 ppm2=0.450

assign ( resid 36 and name HE#
  )
       ( resid 29 and name HG3
  ) 4.1 0.8 0.8 volume=0.455 peak=437 ppm1=6.902 ppm2=0.392

assign ( resid 44 and name HN
  )
       ( resid 43 and name HG2#
  ) 4.4 0.9 0.9 volume=0.455 peak=438 ppm1=7.604 ppm2=-0.124

assign ( resid 72 and name HD#
  )
       ( resid 43 and name HG2#
  ) 4.5 0.9 0.9 volume=0.761 peak=439 ppm1=6.972 ppm2=-0.121

assign ( resid 72 and name HE#
  )
       ( resid 43 and name HG2#
  ) 4.4 0.9 0.9 volume=0.931 peak=440 ppm1=6.890 ppm2=-0.123

assign ( resid 72 and name HD#
  )
       ( resid 43 and name HG1#
  ) 5.0 1.0 1.0 volume=0.398 peak=441 ppm1=6.974 ppm2=0.452

assign ( resid 29 and name HN
  )
       ( resid 29 and name HG3
  ) 3.7 0.7 0.7 volume=0.402 peak=442 ppm1=7.528 ppm2=0.393

assign ( resid 30 and name HN
  )
       ( resid 29 and name HG3
  ) 3.9 0.8 0.8 volume=0.290 peak=443 ppm1=8.018 ppm2=0.384

assign ( resid 20 and name HN
  )
       ( resid 59 and name HD1#
  ) 4.5 0.9 0.9 volume=0.371 peak=444 ppm1=7.984 ppm2=0.579

assign ( resid 29 and name HN
  )
       ( resid 60 and name HD1#
  ) 4.6 0.9 0.9 volume=0.360 peak=445 ppm1=7.537 ppm2=0.770

assign ( resid 22 and name HA
  )
       ( resid 22 and name HB2
  ) 3.8 0.8 0.8 volume=0.340 peak=446 ppm1=6.027 ppm2=1.747

assign ( resid 22 and name HA
  )
       ( resid 22 and name HG
  ) 3.8 0.8 0.8 volume=0.347 peak=447 ppm1=6.032 ppm2=1.573

assign ( resid 22 and name HA
  )
       ( resid 22 and name HD1#
  ) 4.6 0.9 0.9 volume=0.355 peak=448 ppm1=6.023 ppm2=1.356

assign ( resid 72 and name HE#
  )
       ( resid 41 and name HB3
  or resid 82 and name HB2
  ) 4.3 0.9 0.9 volume=0.357 peak=449 ppm1=6.887 ppm2=1.872

assign ( resid 16 and name HN
  )
       ( resid 15 and name HB3
  ) 3.7 0.7 0.7 volume=0.398 peak=450 ppm1=8.256 ppm2=1.854

assign ( resid 32 and name HN
  )
       ( resid 32 and name HG13
  ) 3.7 0.7 0.7 volume=0.399 peak=451 ppm1=8.619 ppm2=1.558

assign ( resid 11 and name HN
  )
       ( resid 10 and name HG2
  ) 3.8 0.8 0.8 volume=0.381 peak=452 ppm1=8.761 ppm2=2.431

assign ( resid 86 and name HN
  )
       ( resid 45 and name HB
  or resid 46 and name HB3
  ) 3.7 0.7 0.7 volume=0.415 peak=453 ppm1=8.830 ppm2=2.416

assign ( resid 23 and name HN
  )
       ( resid 26 and name HB3
  ) 3.7 0.7 0.7 volume=0.394 peak=454 ppm1=9.603 ppm2=2.828

assign ( resid 46 and name HN
  )
       ( resid 46 and name HB2
  ) 3.8 0.8 0.8 volume=0.385 peak=455 ppm1=9.749 ppm2=3.219

assign ( resid 73 and name HN
  )
       ( resid 73 and name HB3
  ) 3.7 0.7 0.7 volume=0.419 peak=456 ppm1=9.571 ppm2=3.400

assign ( resid 44 and name HN
  )
       ( resid 44 and name HA
  ) 3.7 0.7 0.7 volume=0.391 peak=457 ppm1=7.601 ppm2=5.143

assign ( resid 25 and name HN
  )
       ( resid 27 and name HN
  ) 3.7 0.7 0.7 volume=0.396 peak=458 ppm1=8.398 ppm2=7.186

assign ( resid 49 and name HN
  )
       ( resid 50 and name HN
  ) 3.4 0.7 0.7 volume=0.692 peak=459 ppm1=9.179 ppm2=7.852

assign ( resid 60 and name HN
  )
       ( resid 62 and name HN
  ) 3.8 0.8 0.8 volume=0.340 peak=460 ppm1=8.888 ppm2=7.841

assign ( resid 63 and name HN
  )
       ( resid 62 and name HN
  ) 3.6 0.7 0.7 volume=0.519 peak=461 ppm1=8.401 ppm2=7.842

assign ( resid 86 and name HN
  )
       ( resid 85 and name HN
  ) 3.7 0.7 0.7 volume=0.404 peak=462 ppm1=8.833 ppm2=7.785

assign ( resid 78 and name HN
  )
       ( resid 79 and name HN
  ) 3.2 0.6 0.6 volume=1.047 peak=463 ppm1=8.204 ppm2=7.626

assign ( resid 61 and name HN
  )
       ( resid 62 and name HN
  ) 3.2 0.6 0.6 volume=0.988 peak=464 ppm1=8.176 ppm2=7.845

assign ( resid 22 and name HN
  )
       ( resid 68 and name HN
  ) 3.5 0.7 0.7 volume=0.562 peak=465 ppm1=9.291 ppm2=8.161

assign ( resid 74 and name HN
  )
       ( resid 75 and name HN
  ) 3.7 0.7 0.7 volume=0.439 peak=466 ppm1=9.049 ppm2=8.142

assign ( resid 47 and name HN
  )
       ( resid 48 and name HN
  ) 3.7 0.7 0.7 volume=0.429 peak=467 ppm1=8.810 ppm2=8.392

assign ( resid 24 and name HN
  )
       ( resid 25 and name HN
  ) 3.3 0.7 0.7 volume=0.831 peak=468 ppm1=9.010 ppm2=8.403

assign ( resid 49 and name HN
  )
       ( resid 48 and name HN
  ) 3.5 0.7 0.7 volume=0.588 peak=469 ppm1=9.177 ppm2=8.388

assign ( resid 12 and name HN
  )
       ( resid 13 and name HN
  ) 3.6 0.7 0.7 volume=0.467 peak=470 ppm1=9.518 ppm2=8.546

assign ( resid 12 and name HN
  )
       ( resid 11 and name HN
  ) 3.8 0.8 0.8 volume=0.384 peak=471 ppm1=9.516 ppm2=8.763

assign ( resid 66 and name HN
  )
       ( resid 58 and name HN
  ) 3.7 0.7 0.7 volume=0.392 peak=472 ppm1=9.066 ppm2=8.557

assign ( resid 86 and name HN
  )
       ( resid 13 and name HN
  ) 3.6 0.7 0.7 volume=0.459 peak=473 ppm1=8.832 ppm2=8.549

assign ( resid 13 and name HN
  )
       ( resid 86 and name HN
  ) 3.8 0.8 0.8 volume=0.354 peak=474 ppm1=8.547 ppm2=8.836

assign ( resid 86 and name HN
  )
       ( resid 12 and name HN
  ) 3.8 0.8 0.8 volume=0.369 peak=475 ppm1=8.830 ppm2=9.516

assign ( resid 11 and name HN
  )
       ( resid 12 and name HN
  ) 3.7 0.7 0.7 volume=0.427 peak=476 ppm1=8.760 ppm2=9.518

assign ( resid 62 and name HN
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  ) 3.8 0.8 0.8 volume=0.344 peak=477 ppm1=7.842 ppm2=8.888

assign ( resid 85 and name HN
  )
       ( resid 86 and name HN
  ) 3.8 0.8 0.8 volume=0.359 peak=478 ppm1=7.785 ppm2=8.829

assign ( resid 75 and name HN
  )
       ( resid 74 and name HN
  ) 3.6 0.7 0.7 volume=0.467 peak=479 ppm1=8.145 ppm2=9.051

assign ( resid 14 and name HA
  )
       ( resid 14 and name HN
  ) 3.7 0.7 0.7 volume=0.437 peak=480 ppm1=4.373 ppm2=8.381

assign ( resid 61 and name HB2
  )
       ( resid 61 and name HN
  ) 3.8 0.8 0.8 volume=0.365 peak=481 ppm1=3.203 ppm2=8.170

assign ( resid 65 and name HA
  )
       ( resid 65 and name HN
  ) 3.7 0.7 0.7 volume=0.442 peak=482 ppm1=4.004 ppm2=8.600

assign ( resid 65 and name HA
  )
       ( resid 58 and name HN
  ) 3.8 0.8 0.8 volume=0.379 peak=483 ppm1=4.000 ppm2=8.552

assign ( resid 74 and name HA
  )
       ( resid 74 and name HN
  ) 3.5 0.7 0.7 volume=0.580 peak=484 ppm1=3.794 ppm2=9.048

assign ( resid 73 and name HB2
  )
       ( resid 73 and name HN
  ) 3.6 0.7 0.7 volume=0.474 peak=485 ppm1=3.128 ppm2=9.563

assign ( resid 86 and name HB2
  )
       ( resid 12 and name HN
  ) 3.8 0.8 0.8 volume=0.379 peak=486 ppm1=3.136 ppm2=9.512

assign ( resid 47 and name HG3
  or resid 47 and name HG2
  )
       ( resid 47 and name HN
  ) 3.8 0.8 0.8 volume=0.383 peak=487 ppm1=2.330 ppm2=8.818

assign ( resid 58 and name HB2
  )
       ( resid 58 and name HN
  ) 3.6 0.7 0.7 volume=0.531 peak=488 ppm1=2.654 ppm2=8.559

assign ( resid 64 and name HB2
  )
       ( resid 65 and name HN
  ) 3.4 0.7 0.7 volume=0.725 peak=489 ppm1=2.872 ppm2=8.601

assign ( resid 86 and name HB2
  )
       ( resid 13 and name HN
  ) 3.7 0.7 0.7 volume=0.416 peak=490 ppm1=3.148 ppm2=8.551

assign ( resid 75 and name HB2
  )
       ( resid 76 and name HN
  ) 3.5 0.7 0.7 volume=0.538 peak=491 ppm1=2.278 ppm2=9.430

assign ( resid 75 and name HB3
  )
       ( resid 76 and name HN
  ) 3.6 0.7 0.7 volume=0.463 peak=492 ppm1=2.251 ppm2=9.430

assign ( resid 82 and name HB3
  )
       ( resid 82 and name HN
  ) 3.5 0.7 0.7 volume=0.573 peak=493 ppm1=1.616 ppm2=9.253

assign ( resid 38 and name HG2
  or resid 38 and name HG3
  )
       ( resid 38 and name HN
  ) 3.5 0.7 0.7 volume=0.576 peak=494 ppm1=1.677 ppm2=8.486

assign ( resid 88 and name HB2
  or resid 88 and name HB3
  )
       ( resid 88 and name HN
  ) 3.6 0.7 0.7 volume=0.493 peak=495 ppm1=1.888 ppm2=7.800

assign ( resid 29 and name HB2
  )
       ( resid 29 and name HN
  ) 3.5 0.7 0.7 volume=0.622 peak=496 ppm1=1.576 ppm2=7.530

assign ( resid 83 and name HB2
  )
       ( resid 83 and name HN
  ) 3.5 0.7 0.7 volume=0.604 peak=497 ppm1=1.990 ppm2=7.194

assign ( resid 83 and name HB3
  )
       ( resid 83 and name HN
  ) 3.4 0.7 0.7 volume=0.705 peak=498 ppm1=1.665 ppm2=7.194

assign ( resid 29 and name HB3
  )
       ( resid 29 and name HN
  ) 3.4 0.7 0.7 volume=0.665 peak=499 ppm1=1.034 ppm2=7.532

assign ( resid 29 and name HG2
  )
       ( resid 29 and name HN
  ) 3.5 0.7 0.7 volume=0.591 peak=500 ppm1=0.982 ppm2=7.530

assign ( resid 79 and name HD2#
  or resid 90 and name HD2#
  )
       ( resid 79 and name HN
  or resid 88 and name HE
  ) 3.9 0.8 0.8 volume=0.895 peak=501 ppm1=0.873 ppm2=7.624

assign ( resid 59 and name HD1#
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  ) 4.5 0.9 0.9 volume=0.382 peak=502 ppm1=0.575 ppm2=8.885

assign ( resid 90 and name HD1#
  )
       ( resid 11 and name HN
  ) 4.4 0.9 0.9 volume=0.445 peak=503 ppm1=0.738 ppm2=8.761

assign ( resid 43 and name HG2#
  )
       ( resid 72 and name HD#
  or resid 100 and name HD2
  ) 4.3 0.9 0.9 volume=0.659 peak=504 ppm1=-0.118 ppm2=6.974

assign ( resid 43 and name HG2#
  )
       ( resid 72 and name HE#
  ) 4.8 1.0 1.0 volume=0.498 peak=505 ppm1=-0.118 ppm2=6.888

assign ( resid 21 and name HB2
  )
       ( resid 21 and name HA
  ) 3.5 0.7 0.7 volume=0.578 peak=506 ppm1=1.574 ppm2=5.242

assign ( resid 44 and name HB3
  )
       ( resid 44 and name HA
  ) 3.3 0.7 0.7 volume=0.792 peak=507 ppm1=1.574 ppm2=5.143

assign ( resid 45 and name HG1#
  )
       ( resid 45 and name HA
  ) 4.0 0.8 0.8 volume=0.759 peak=508 ppm1=0.636 ppm2=5.262

assign ( resid 21 and name HD1#
  )
       ( resid 21 and name HA
  ) 3.4 0.7 0.7 volume=1.957 peak=509 ppm1=0.594 ppm2=5.242

assign ( resid 45 and name HG2#
  )
       ( resid 45 and name HA
  ) 3.5 0.7 0.7 volume=1.658 peak=510 ppm1=0.794 ppm2=5.262

assign ( resid 45 and name HB
  or resid 46 and name HB3
  )
       ( resid 46 and name HA
  ) 3.4 0.7 0.7 volume=0.714 peak=511 ppm1=2.426 ppm2=4.946

assign ( resid 33 and name HB3
  )
       ( resid 33 and name HA
  ) 3.0 0.6 0.6 volume=1.508 peak=512 ppm1=2.466 ppm2=4.872

assign ( resid 7 and name HB2
  )
       ( resid 7 and name HA
  ) 3.0 0.6 0.6 volume=1.540 peak=513 ppm1=2.640 ppm2=4.599

assign ( resid 7 and name HB3
  )
       ( resid 7 and name HA
  ) 3.1 0.6 0.6 volume=1.139 peak=514 ppm1=2.597 ppm2=4.597

assign ( resid 98 and name HB3
  )
       ( resid 98 and name HA
  ) 3.1 0.6 0.6 volume=1.325 peak=515 ppm1=2.670 ppm2=4.545

assign ( resid 98 and name HB2
  )
       ( resid 98 and name HA
  ) 3.2 0.6 0.6 volume=0.914 peak=516 ppm1=2.640 ppm2=4.547

assign ( resid 34 and name HB3
  )
       ( resid 34 and name HA
  ) 3.3 0.7 0.7 volume=0.774 peak=517 ppm1=2.552 ppm2=4.489

assign ( resid 84 and name HB2
  or resid 84 and name HB3
  )
       ( resid 84 and name HA
  ) 2.8 0.6 0.6 volume=2.332 peak=518 ppm1=2.668 ppm2=4.462

assign ( resid 43 and name HG2#
  )
       ( resid 19 and name HA
  or resid 71 and name HA
  ) 4.0 0.8 0.8 volume=0.837 peak=519 ppm1=-0.119 ppm2=5.001

assign ( resid 59 and name HD1#
  )
       ( resid 43 and name HG2#
  ) 5.0 1.0 1.0 volume=0.632 peak=520 ppm1=0.580 ppm2=-0.120

assign ( resid 43 and name HG1#
  )
       ( resid 43 and name HG2#
  ) 4.0 0.8 0.8 volume=2.508 peak=521 ppm1=0.451 ppm2=-0.121

assign ( resid 43 and name HG2#
  )
       ( resid 59 and name HD1#
  ) 4.9 1.0 1.0 volume=0.713 peak=522 ppm1=-0.117 ppm2=0.578

assign ( resid 43 and name HG2#
  )
       ( resid 43 and name HG1#
  ) 3.7 0.7 0.7 volume=3.522 peak=523 ppm1=-0.119 ppm2=0.450

assign ( resid 43 and name HG2#
  )
       ( resid 70 and name HB#
  ) 4.1 0.8 0.8 volume=2.008 peak=524 ppm1=-0.120 ppm2=1.011

assign ( resid 43 and name HG2#
  )
       ( resid 31 and name HG2
  ) 4.1 0.8 0.8 volume=0.690 peak=525 ppm1=-0.121 ppm2=1.711

assign ( resid 43 and name HG2#
  )
       ( resid 31 and name HG3
  ) 3.9 0.8 0.8 volume=0.857 peak=526 ppm1=-0.121 ppm2=1.585

assign ( resid 43 and name HG2#
  )
       ( resid 43 and name HB
  ) 3.5 0.7 0.7 volume=1.745 peak=527 ppm1=-0.119 ppm2=1.526

assign ( resid 43 and name HG2#
  )
       ( resid 42 and name HA
  or resid 87 and name HD3
  ) 4.1 0.8 0.8 volume=0.708 peak=528 ppm1=-0.119 ppm2=3.705

assign ( resid 10 and name HB2
  )
       ( resid 10 and name HA
  ) 3.5 0.7 0.7 volume=0.595 peak=529 ppm1=1.956 ppm2=4.922

assign ( resid 49 and name HB2
  )
       ( resid 49 and name HA
  ) 3.4 0.7 0.7 volume=0.666 peak=530 ppm1=2.749 ppm2=3.947

assign ( resid 76 and name HB3
  )
       ( resid 76 and name HA
  ) 3.3 0.7 0.7 volume=0.865 peak=531 ppm1=2.678 ppm2=3.874

assign ( resid 11 and name HB3
  )
       ( resid 11 and name HA
  ) 3.2 0.6 0.6 volume=1.067 peak=532 ppm1=2.736 ppm2=3.841

assign ( resid 77 and name HB2
  or resid 77 and name HB3
  )
       ( resid 77 and name HA
  ) 3.1 0.6 0.6 volume=1.279 peak=533 ppm1=2.642 ppm2=4.260

assign ( resid 47 and name HG3
  or resid 47 and name HG2
  )
       ( resid 47 and name HA
  ) 3.3 0.7 0.7 volume=0.792 peak=534 ppm1=2.345 ppm2=4.066

assign ( resid 65 and name HB
  )
       ( resid 65 and name HA
  ) 3.2 0.6 0.6 volume=1.046 peak=535 ppm1=1.994 ppm2=4.000

assign ( resid 39 and name HG2
  or resid 39 and name HG3
  )
       ( resid 39 and name HD2
  or resid 39 and name HD3
  ) 3.1 0.6 0.6 volume=1.240 peak=536 ppm1=1.787 ppm2=3.648

assign ( resid 39 and name HG2
  or resid 39 and name HG3
  )
       ( resid 39 and name HD2
  or resid 39 and name HD3
  ) 3.2 0.6 0.6 volume=1.045 peak=537 ppm1=1.766 ppm2=3.646

assign ( resid 33 and name HB3
  )
       ( resid 33 and name HB2
  ) 2.7 0.5 0.5 volume=2.525 peak=538 ppm1=2.462 ppm2=3.263

assign ( resid 46 and name HB3
  )
       ( resid 46 and name HB2
  ) 3.3 0.7 0.7 volume=0.874 peak=539 ppm1=2.431 ppm2=3.219

assign ( resid 46 and name HB3
  )
       ( resid 46 and name HB2
  ) 3.2 0.6 0.6 volume=1.047 peak=540 ppm1=2.412 ppm2=3.219

assign ( resid 36 and name HB2
  )
       ( resid 36 and name HB3
  ) 2.8 0.6 0.6 volume=2.175 peak=541 ppm1=2.730 ppm2=3.312

assign ( resid 12 and name HD1#
  )
       ( resid 12 and name HA
  ) 3.4 0.7 0.7 volume=2.195 peak=542 ppm1=0.617 ppm2=3.743

assign ( resid 45 and name HG1#
  )
       ( resid 43 and name HA
  or resid 50 and name HB2
  ) 3.8 0.8 0.8 volume=1.004 peak=543 ppm1=0.635 ppm2=3.628

assign ( resid 43 and name HG1#
  )
       ( resid 43 and name HA
  ) 3.8 0.8 0.8 volume=0.995 peak=544 ppm1=0.452 ppm2=3.603

assign ( resid 45 and name HG1#
  )
       ( resid 50 and name HB3
  ) 4.1 0.8 0.8 volume=0.648 peak=545 ppm1=0.638 ppm2=3.888

assign ( resid 90 and name HD1#
  )
       ( resid 11 and name HA
  ) 3.9 0.8 0.8 volume=0.963 peak=546 ppm1=0.740 ppm2=3.841

assign ( resid 90 and name HD1#
  )
       ( resid 89 and name HA
  or resid 90 and name HA
  ) 3.1 0.6 0.6 volume=3.723 peak=547 ppm1=0.739 ppm2=4.382

assign ( resid 21 and name HD1#
  )
       ( resid 69 and name HA
  or resid 70 and name HA
  ) 3.3 0.7 0.7 volume=2.324 peak=548 ppm1=0.593 ppm2=4.521

assign ( resid 45 and name HG1#
  )
       ( resid 20 and name HA2
  or resid 50 and name HA
  ) 3.9 0.8 0.8 volume=0.975 peak=549 ppm1=0.636 ppm2=4.237

assign ( resid 21 and name HD2#
  )
       ( resid 56 and name HA
  ) 3.5 0.7 0.7 volume=1.680 peak=550 ppm1=0.723 ppm2=4.283

assign ( resid 45 and name HG2#
  )
       ( resid 45 and name HB
  ) 3.6 0.7 0.7 volume=1.566 peak=551 ppm1=0.795 ppm2=2.417

assign ( resid 45 and name HG1#
  )
       ( resid 45 and name HB
  or resid 46 and name HB3
  ) 3.4 0.7 0.7 volume=2.009 peak=552 ppm1=0.636 ppm2=2.418

assign ( resid 60 and name HD1#
  )
       ( resid 60 and name HB
  ) 3.5 0.7 0.7 volume=1.628 peak=553 ppm1=0.776 ppm2=2.126

assign ( resid 59 and name HD1#
  )
       ( resid 60 and name HB
  ) 4.2 0.8 0.8 volume=0.600 peak=554 ppm1=0.578 ppm2=2.125

assign ( resid 29 and name HG3
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  ) 3.7 0.7 0.7 volume=0.603 peak=555 ppm1=0.394 ppm2=1.033

assign ( resid 29 and name HG3
  )
       ( resid 29 and name HG2
  ) 3.0 0.6 0.6 volume=1.487 peak=556 ppm1=0.397 ppm2=0.982

assign ( resid 43 and name HG1#
  )
       ( resid 70 and name HB#
  ) 4.7 0.9 0.9 volume=0.846 peak=557 ppm1=0.451 ppm2=1.011

assign ( resid 59 and name HD1#
  )
       ( resid 59 and name HG12
  ) 3.7 0.7 0.7 volume=1.303 peak=558 ppm1=0.578 ppm2=1.326

assign ( resid 43 and name HG1#
  )
       ( resid 44 and name HG3
  or resid 87 and name HG3
  ) 4.1 0.8 0.8 volume=0.687 peak=559 ppm1=0.451 ppm2=1.409

assign ( resid 12 and name HD1#
  )
       ( resid 10 and name HB3
  ) 4.0 0.8 0.8 volume=0.798 peak=560 ppm1=0.618 ppm2=1.803

assign ( resid 12 and name HD1#
  )
       ( resid 12 and name HB3
  ) 3.6 0.7 0.7 volume=1.582 peak=561 ppm1=0.617 ppm2=1.752

assign ( resid 12 and name HD1#
  )
       ( resid 12 and name HB2
  ) 3.7 0.7 0.7 volume=1.301 peak=562 ppm1=0.618 ppm2=2.048

assign ( resid 45 and name HG1#
  )
       ( resid 18 and name HB3
  or resid 87 and name HG2
  ) 3.8 0.8 0.8 volume=1.022 peak=563 ppm1=0.639 ppm2=1.992

assign ( resid 43 and name HG1#
  )
       ( resid 87 and name HG2
  ) 4.0 0.8 0.8 volume=0.799 peak=564 ppm1=0.451 ppm2=1.990

assign ( resid 12 and name HD1#
  )
       ( resid 10 and name HB2
  ) 4.0 0.8 0.8 volume=0.760 peak=565 ppm1=0.618 ppm2=1.964

assign ( resid 59 and name HD1#
  )
       ( resid 59 and name HB
  or resid 88 and name HG2
  ) 3.6 0.7 0.7 volume=1.443 peak=566 ppm1=0.578 ppm2=1.948

assign ( resid 18 and name HG2
  or resid 45 and name HB
  or resid 46 and name HB3
  )
       ( resid 45 and name HG2#
  ) 3.6 0.7 0.7 volume=1.529 peak=567 ppm1=2.419 ppm2=0.793

assign ( resid 84 and name HB2
  or resid 84 and name HB3
  )
       ( resid 12 and name HD1#
  ) 3.6 0.7 0.7 volume=1.599 peak=568 ppm1=2.666 ppm2=0.615

assign ( resid 11 and name HB3
  )
       ( resid 90 and name HD1#
  ) 3.9 0.8 0.8 volume=0.941 peak=569 ppm1=2.736 ppm2=0.742

assign ( resid 26 and name HB2
  )
       ( resid 60 and name HD1#
  ) 4.0 0.8 0.8 volume=0.737 peak=570 ppm1=3.276 ppm2=0.775

assign ( resid 66 and name HA1
  )
       ( resid 21 and name HD2#
  ) 4.1 0.8 0.8 volume=0.660 peak=571 ppm1=3.207 ppm2=0.723

assign ( resid 11 and name HA
  )
       ( resid 90 and name HD2#
  ) 3.4 0.7 0.7 volume=2.145 peak=572 ppm1=3.842 ppm2=0.868

assign ( resid 55 and name HA
  )
       ( resid 55 and name HB#
  ) 3.4 0.7 0.7 volume=2.090 peak=573 ppm1=4.060 ppm2=1.335

assign ( resid 78 and name HA
  )
       ( resid 78 and name HB2
  ) 3.5 0.7 0.7 volume=0.609 peak=574 ppm1=3.833 ppm2=1.620

assign ( resid 78 and name HA
  )
       ( resid 78 and name HG2
  ) 3.3 0.7 0.7 volume=0.845 peak=575 ppm1=3.833 ppm2=1.569

assign ( resid 47 and name HA
  )
       ( resid 47 and name HB2
  or resid 47 and name HB3
  ) 3.0 0.6 0.6 volume=1.529 peak=576 ppm1=4.064 ppm2=2.069

assign ( resid 11 and name HB3
  )
       ( resid 90 and name HD2#
  ) 3.8 0.8 0.8 volume=1.045 peak=577 ppm1=2.733 ppm2=0.877

assign ( resid 20 and name HA1
  )
       ( resid 45 and name HG2#
  ) 4.0 0.8 0.8 volume=0.839 peak=578 ppm1=2.922 ppm2=0.792

assign ( resid 12 and name HA
  )
       ( resid 12 and name HD1#
  ) 3.6 0.7 0.7 volume=1.595 peak=579 ppm1=3.745 ppm2=0.618

assign ( resid 50 and name HB2
  )
       ( resid 45 and name HG1#
  ) 4.0 0.8 0.8 volume=0.796 peak=580 ppm1=3.625 ppm2=0.627

assign ( resid 38 and name HD2
  )
       ( resid 38 and name HG2
  or resid 38 and name HG3
  ) 3.3 0.7 0.7 volume=0.874 peak=581 ppm1=2.876 ppm2=1.679

assign ( resid 38 and name HD3
  )
       ( resid 38 and name HG2
  or resid 38 and name HG3
  ) 3.4 0.7 0.7 volume=0.676 peak=582 ppm1=2.762 ppm2=1.681

assign ( resid 13 and name HE3
  )
       ( resid 13 and name HD2
  ) 3.5 0.7 0.7 volume=0.559 peak=583 ppm1=3.064 ppm2=1.935

assign ( resid 13 and name HE3
  )
       ( resid 13 and name HD3
  ) 3.2 0.6 0.6 volume=0.933 peak=584 ppm1=3.062 ppm2=1.800

assign ( resid 36 and name HB3
  )
       ( resid 36 and name HB2
  ) 2.9 0.6 0.6 volume=1.747 peak=585 ppm1=3.322 ppm2=2.727

assign ( resid 26 and name HB2
  )
       ( resid 26 and name HB3
  ) 3.0 0.6 0.6 volume=1.393 peak=586 ppm1=3.274 ppm2=2.833

assign ( resid 27 and name HB2
  )
       ( resid 27 and name HB3
  ) 2.8 0.6 0.6 volume=2.186 peak=587 ppm1=2.945 ppm2=2.497

assign ( resid 27 and name HB2
  )
       ( resid 27 and name HB3
  ) 2.8 0.6 0.6 volume=2.215 peak=588 ppm1=2.927 ppm2=2.500

assign ( resid 11 and name HA
  )
       ( resid 11 and name HB3
  ) 3.5 0.7 0.7 volume=0.628 peak=589 ppm1=3.847 ppm2=2.734

assign ( resid 20 and name HA2
  )
       ( resid 20 and name HA1
  ) 3.5 0.7 0.7 volume=0.580 peak=590 ppm1=4.248 ppm2=2.925

assign ( resid 66 and name HA2
  )
       ( resid 66 and name HA1
  ) 3.0 0.6 0.6 volume=1.365 peak=591 ppm1=3.467 ppm2=3.195

assign ( resid 30 and name HB2
  )
       ( resid 30 and name HB3
  ) 3.1 0.6 0.6 volume=1.117 peak=592 ppm1=3.479 ppm2=3.180

assign ( resid 26 and name HA
  )
       ( resid 26 and name HB2
  ) 3.4 0.7 0.7 volume=0.659 peak=593 ppm1=4.059 ppm2=3.268

assign ( resid 61 and name HB3
  )
       ( resid 61 and name HB2
  ) 2.8 0.6 0.6 volume=2.297 peak=594 ppm1=2.719 ppm2=3.196

assign ( resid 76 and name HB3
  )
       ( resid 76 and name HB2
  ) 3.0 0.6 0.6 volume=1.591 peak=595 ppm1=2.681 ppm2=3.174

assign ( resid 86 and name HB3
  )
       ( resid 86 and name HB2
  ) 3.2 0.6 0.6 volume=0.927 peak=596 ppm1=2.729 ppm2=3.133

assign ( resid 49 and name HB2
  )
       ( resid 49 and name HB3
  ) 3.1 0.6 0.6 volume=1.142 peak=597 ppm1=2.751 ppm2=3.000

assign ( resid 26 and name HB3
  )
       ( resid 26 and name HB2
  ) 3.0 0.6 0.6 volume=1.356 peak=598 ppm1=2.834 ppm2=3.269

assign ( resid 66 and name HA1
  )
       ( resid 66 and name HA2
  ) 3.0 0.6 0.6 volume=1.401 peak=599 ppm1=3.191 ppm2=3.462

assign ( resid 15 and name HD2
  )
       ( resid 15 and name HD3
  ) 3.4 0.7 0.7 volume=0.754 peak=600 ppm1=4.074 ppm2=3.591

assign ( resid 50 and name HB3
  )
       ( resid 50 and name HA
  ) 3.5 0.7 0.7 volume=0.634 peak=601 ppm1=3.889 ppm2=4.236

assign ( resid 1 and name HB3
  )
       ( resid 1 and name HA
  ) 3.5 0.7 0.7 volume=0.611 peak=602 ppm1=3.904 ppm2=4.471

assign ( resid 1 and name HB2
  )
       ( resid 1 and name HA
  ) 3.3 0.7 0.7 volume=0.839 peak=603 ppm1=3.868 ppm2=4.476

assign ( resid 94 and name HB3
  )
       ( resid 94 and name HA
  ) 3.3 0.7 0.7 volume=0.848 peak=604 ppm1=3.900 ppm2=4.415

assign ( resid 94 and name HB2
  )
       ( resid 94 and name HA
  ) 3.2 0.6 0.6 volume=0.977 peak=605 ppm1=3.842 ppm2=4.416

assign ( resid 16 and name HA1
  )
       ( resid 16 and name HA2
  ) 2.9 0.6 0.6 volume=1.694 peak=606 ppm1=3.818 ppm2=4.568

assign ( resid 2 and name HB2
  )
       ( resid 2 and name HA
  ) 3.4 0.7 0.7 volume=0.690 peak=607 ppm1=3.936 ppm2=4.544

assign ( resid 23 and name HB3
  )
       ( resid 23 and name HA
  ) 3.1 0.6 0.6 volume=1.257 peak=608 ppm1=3.473 ppm2=5.163

assign ( resid 73 and name HB3
  )
       ( resid 73 and name HA
  ) 3.5 0.7 0.7 volume=0.623 peak=609 ppm1=3.397 ppm2=5.085

assign ( resid 46 and name HB2
  )
       ( resid 46 and name HA
  ) 3.4 0.7 0.7 volume=0.720 peak=610 ppm1=3.218 ppm2=4.946

assign ( resid 64 and name HB3
  )
       ( resid 64 and name HA
  ) 3.4 0.7 0.7 volume=0.684 peak=611 ppm1=2.796 ppm2=5.049

assign ( resid 64 and name HB2
  )
       ( resid 64 and name HA
  ) 3.3 0.7 0.7 volume=0.882 peak=612 ppm1=2.872 ppm2=5.044

assign ( resid 45 and name HB
  )
       ( resid 45 and name HA
  ) 3.2 0.6 0.6 volume=0.962 peak=613 ppm1=2.418 ppm2=5.265

assign ( resid 91 and name HB2
  )
       ( resid 91 and name HA
  ) 3.3 0.7 0.7 volume=0.858 peak=614 ppm1=2.770 ppm2=4.824

assign ( resid 91 and name HB3
  )
       ( resid 91 and name HA
  ) 3.2 0.6 0.6 volume=0.948 peak=615 ppm1=2.701 ppm2=4.825

assign ( resid 87 and name HB2
  )
       ( resid 87 and name HA
  ) 3.3 0.7 0.7 volume=0.905 peak=616 ppm1=2.205 ppm2=5.098

assign ( resid 87 and name HB3
  )
       ( resid 87 and name HA
  ) 3.1 0.6 0.6 volume=1.246 peak=617 ppm1=2.156 ppm2=5.097

assign ( resid 10 and name HE#
  )
       ( resid 87 and name HA
  ) 3.7 0.7 0.7 volume=1.196 peak=618 ppm1=2.123 ppm2=5.092

assign ( resid 69 and name HB3
  )
       ( resid 69 and name HA
  ) 3.4 0.7 0.7 volume=0.729 peak=619 ppm1=2.152 ppm2=4.521

assign ( resid 69 and name HB2
  )
       ( resid 69 and name HA
  ) 3.5 0.7 0.7 volume=0.581 peak=620 ppm1=2.446 ppm2=4.524

assign ( resid 86 and name HB3
  )
       ( resid 86 and name HA
  ) 3.4 0.7 0.7 volume=0.663 peak=621 ppm1=2.727 ppm2=4.361

assign ( resid 76 and name HB2
  )
       ( resid 76 and name HA
  ) 3.4 0.7 0.7 volume=0.724 peak=622 ppm1=3.170 ppm2=3.874

assign ( resid 20 and name HA1
  )
       ( resid 20 and name HA2
  ) 2.8 0.6 0.6 volume=2.205 peak=623 ppm1=2.926 ppm2=4.250

assign ( resid 27 and name HB2
  )
       ( resid 24 and name HA
  ) 3.3 0.7 0.7 volume=0.778 peak=624 ppm1=2.942 ppm2=4.126

assign ( resid 17 and name HB
  )
       ( resid 17 and name HA
  ) 2.8 0.6 0.6 volume=2.131 peak=625 ppm1=2.255 ppm2=4.264

assign ( resid 55 and name HB#
  )
       ( resid 55 and name HA
  ) 3.0 0.6 0.6 volume=4.410 peak=626 ppm1=1.335 ppm2=4.056

assign ( resid 78 and name HB2
  )
       ( resid 78 and name HA
  ) 3.2 0.6 0.6 volume=0.972 peak=627 ppm1=1.625 ppm2=3.833

assign ( resid 78 and name HG2
  )
       ( resid 78 and name HA
  ) 3.3 0.7 0.7 volume=0.901 peak=628 ppm1=1.564 ppm2=3.833

assign ( resid 65 and name HG1#
  )
       ( resid 65 and name HA
  ) 3.5 0.7 0.7 volume=1.789 peak=629 ppm1=1.043 ppm2=4.000

assign ( resid 65 and name HG2#
  )
       ( resid 65 and name HA
  ) 3.5 0.7 0.7 volume=1.620 peak=630 ppm1=0.968 ppm2=4.002

assign ( resid 37 and name HG2#
  )
       ( resid 37 and name HA
  ) 3.3 0.7 0.7 volume=2.579 peak=631 ppm1=1.089 ppm2=3.991

assign ( resid 90 and name HD2#
  )
       ( resid 11 and name HA
  ) 3.2 0.6 0.6 volume=3.228 peak=632 ppm1=0.869 ppm2=3.842

assign ( resid 90 and name HD1#
  )
       ( resid 90 and name HB2
  ) 3.5 0.7 0.7 volume=1.690 peak=633 ppm1=0.736 ppm2=1.578

assign ( resid 60 and name HD1#
  )
       ( resid 60 and name HG13
  or resid 60 and name HG12
  ) 3.3 0.7 0.7 volume=2.595 peak=634 ppm1=0.775 ppm2=1.569

assign ( resid 21 and name HD2#
  )
       ( resid 21 and name HB2
  ) 3.5 0.7 0.7 volume=1.896 peak=635 ppm1=0.724 ppm2=1.574

assign ( resid 21 and name HD2#
  )
       ( resid 21 and name HG
  ) 3.2 0.6 0.6 volume=2.863 peak=636 ppm1=0.722 ppm2=1.509

assign ( resid 42 and name HG3
  )
       ( resid 42 and name HB3
  ) 3.0 0.6 0.6 volume=1.406 peak=637 ppm1=0.778 ppm2=1.503

assign ( resid 90 and name HD1#
  )
       ( resid 90 and name HG
  ) 3.2 0.6 0.6 volume=2.946 peak=638 ppm1=0.738 ppm2=1.484

assign ( resid 90 and name HD1#
  )
       ( resid 90 and name HB3
  ) 3.5 0.7 0.7 volume=1.770 peak=639 ppm1=0.738 ppm2=1.414

assign ( resid 43 and name HG1#
  )
       ( resid 21 and name HD1#
  or resid 59 and name HD1#
  ) 4.2 0.8 0.8 volume=1.747 peak=640 ppm1=0.452 ppm2=0.577

assign ( resid 12 and name HG
  )
       ( resid 12 and name HD1#
  ) 3.4 0.7 0.7 volume=2.118 peak=641 ppm1=1.301 ppm2=0.616

assign ( resid 59 and name HG12
  )
       ( resid 59 and name HD1#
  ) 3.6 0.7 0.7 volume=1.519 peak=642 ppm1=1.332 ppm2=0.579

assign ( resid 59 and name HB
  )
       ( resid 59 and name HD1#
  ) 3.6 0.7 0.7 volume=1.399 peak=643 ppm1=1.951 ppm2=0.577

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  )
       ( resid 17 and name HB
  ) 2.8 0.6 0.6 volume=7.151 peak=644 ppm1=0.943 ppm2=2.259

assign ( resid 23 and name HN
  )
       ( resid 26 and name HB2
  ) 4.0 0.8 0.8 volume=0.252 peak=645 ppm1=9.599 ppm2=3.271

assign ( resid 64 and name HB3
  )
       ( resid 65 and name HN
  ) 3.7 0.7 0.7 volume=0.439 peak=646 ppm1=2.799 ppm2=8.599

assign ( resid 18 and name HB2
  )
       ( resid 19 and name HN
  ) 3.5 0.7 0.7 volume=0.558 peak=647 ppm1=2.072 ppm2=8.123

assign ( resid 6 and name HB2
  )
       ( resid 6 and name HD#
  ) 3.7 0.7 0.7 volume=0.836 peak=648 ppm1=3.240 ppm2=7.236

assign ( resid 51 and name HB2
  )
       ( resid 51 and name HE#
  ) 3.7 0.7 0.7 volume=0.790 peak=649 ppm1=3.225 ppm2=7.232

assign ( resid 55 and name HA
  )
       ( resid 55 and name HN
  ) 3.5 0.7 0.7 volume=0.577 peak=650 ppm1=4.059 ppm2=7.319

assign ( resid 41 and name HB3
  or resid 82 and name HB2
  )
       ( resid 72 and name HD#
  ) 3.9 0.8 0.8 volume=0.638 peak=651 ppm1=1.872 ppm2=6.971

assign ( resid 41 and name HG3
  or resid 41 and name HG2
  )
       ( resid 72 and name HD#
  ) 4.0 0.8 0.8 volume=0.492 peak=652 ppm1=1.772 ppm2=6.971

assign ( resid 32 and name HG12
  )
       ( resid 72 and name HD#
  ) 4.0 0.8 0.8 volume=0.498 peak=653 ppm1=1.658 ppm2=6.972

assign ( resid 31 and name HG3
  or resid 82 and name HB3
  )
       ( resid 72 and name HD#
  ) 4.2 0.8 0.8 volume=0.372 peak=654 ppm1=1.595 ppm2=6.971

assign ( resid 32 and name HG13
  )
       ( resid 72 and name HD#
  ) 4.0 0.8 0.8 volume=0.539 peak=655 ppm1=1.561 ppm2=6.970

assign ( resid 43 and name HB
  or resid 81 and name HB3
  )
       ( resid 72 and name HD#
  ) 4.1 0.8 0.8 volume=0.454 peak=656 ppm1=1.544 ppm2=6.973

assign ( resid 63 and name HB2
  )
       ( resid 64 and name HN
  ) 3.7 0.7 0.7 volume=0.416 peak=657 ppm1=1.742 ppm2=6.903

assign ( resid 63 and name HB3
  )
       ( resid 64 and name HN
  ) 3.8 0.8 0.8 volume=0.372 peak=658 ppm1=1.614 ppm2=6.904

assign ( resid 82 and name HB3
  )
       ( resid 72 and name HE#
  ) 4.2 0.8 0.8 volume=0.389 peak=659 ppm1=1.603 ppm2=6.894

assign ( resid 74 and name HE3
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  ) 4.1 0.8 0.8 volume=0.333 peak=660 ppm1=7.499 ppm2=1.243

assign ( resid 36 and name HE#
  )
       ( resid 28 and name HA2
  ) 4.2 0.8 0.8 volume=0.382 peak=661 ppm1=6.903 ppm2=3.732

assign ( resid 45 and name HA
  )
       ( resid 45 and name HB
  or resid 46 and name HB3
  ) 3.6 0.7 0.7 volume=0.518 peak=662 ppm1=5.262 ppm2=2.414

assign ( resid 35 and name HB2
  or resid 39 and name HA
  )
       ( resid 73 and name HA
  ) 3.9 0.8 0.8 volume=0.321 peak=663 ppm1=4.307 ppm2=5.088

assign ( resid 19 and name HB
  )
       ( resid 19 and name HA
  ) 3.6 0.7 0.7 volume=0.519 peak=664 ppm1=4.184 ppm2=4.994

assign ( resid 31 and name HD2
  )
       ( resid 30 and name HA
  ) 3.7 0.7 0.7 volume=0.400 peak=665 ppm1=4.078 ppm2=5.218

assign ( resid 31 and name HD3
  )
       ( resid 30 and name HA
  ) 3.6 0.7 0.7 volume=0.526 peak=666 ppm1=3.936 ppm2=5.217

assign ( resid 71 and name HB3
  )
       ( resid 71 and name HA
  ) 3.7 0.7 0.7 volume=0.452 peak=667 ppm1=2.615 ppm2=5.003

assign ( resid 10 and name HG3
  )
       ( resid 10 and name HA
  ) 3.6 0.7 0.7 volume=0.520 peak=668 ppm1=2.554 ppm2=4.924

assign ( resid 41 and name HB2
  )
       ( resid 41 and name HA
  ) 3.5 0.7 0.7 volume=0.570 peak=669 ppm1=1.922 ppm2=5.064

assign ( resid 41 and name HB3
  )
       ( resid 41 and name HA
  ) 3.6 0.7 0.7 volume=0.511 peak=670 ppm1=1.876 ppm2=5.063

assign ( resid 87 and name HG2
  )
       ( resid 87 and name HA
  ) 3.6 0.7 0.7 volume=0.520 peak=671 ppm1=1.986 ppm2=5.095

assign ( resid 44 and name HG3
  )
       ( resid 44 and name HA
  ) 3.7 0.7 0.7 volume=0.448 peak=672 ppm1=1.458 ppm2=5.143

assign ( resid 42 and name HB2
  or resid 44 and name HG3
  )
       ( resid 71 and name HA
  ) 3.9 0.8 0.8 volume=0.295 peak=673 ppm1=1.465 ppm2=5.004

assign ( resid 21 and name HG
  )
       ( resid 21 and name HA
  ) 3.8 0.8 0.8 volume=0.380 peak=674 ppm1=1.512 ppm2=5.245

assign ( resid 65 and name HG1#
  )
       ( resid 64 and name HA
  ) 4.4 0.9 0.9 volume=0.416 peak=675 ppm1=1.039 ppm2=5.043

assign ( resid 21 and name HD2#
  )
       ( resid 21 and name HA
  ) 4.4 0.9 0.9 volume=0.475 peak=676 ppm1=0.725 ppm2=5.249

assign ( resid 45 and name HG1#
  )
       ( resid 44 and name HA
  ) 4.3 0.9 0.9 volume=0.507 peak=677 ppm1=0.636 ppm2=5.143

assign ( resid 21 and name HD1#
  )
       ( resid 23 and name HA
  or resid 68 and name HA
  ) 4.4 0.9 0.9 volume=0.427 peak=678 ppm1=0.591 ppm2=5.185

assign ( resid 12 and name HD1#
  )
       ( resid 84 and name HB2
  or resid 84 and name HB3
  ) 3.6 0.7 0.7 volume=1.521 peak=679 ppm1=0.617 ppm2=2.666

assign ( resid 59 and name HD1#
  )
       ( resid 20 and name HA1
  ) 4.2 0.8 0.8 volume=0.620 peak=680 ppm1=0.579 ppm2=2.926

assign ( resid 45 and name HG1#
  )
       ( resid 49 and name HB3
  ) 4.5 0.9 0.9 volume=0.405 peak=681 ppm1=0.636 ppm2=2.996

assign ( resid 90 and name HD1#
  )
       ( resid 11 and name HB3
  or resid 86 and name HB3
  ) 3.9 0.8 0.8 volume=0.876 peak=682 ppm1=0.739 ppm2=2.736

assign ( resid 38 and name HG2
  or resid 38 and name HG3
  )
       ( resid 38 and name HD2
  ) 3.4 0.7 0.7 volume=0.745 peak=683 ppm1=1.680 ppm2=2.873

assign ( resid 38 and name HG2
  or resid 38 and name HG3
  )
       ( resid 38 and name HD3
  ) 3.4 0.7 0.7 volume=0.647 peak=684 ppm1=1.683 ppm2=2.761

assign ( resid 12 and name HB3
  )
       ( resid 12 and name HD1#
  ) 3.7 0.7 0.7 volume=1.288 peak=685 ppm1=1.758 ppm2=0.616

assign ( resid 43 and name HB
  )
       ( resid 43 and name HG1#
  ) 3.7 0.7 0.7 volume=1.347 peak=686 ppm1=1.525 ppm2=0.451

assign ( resid 88 and name HE
  )
       ( resid 88 and name HD2
  ) 3.8 0.8 0.8 volume=0.331 peak=687 ppm1=7.619 ppm2=3.369

assign ( resid 40 and name HB3
  )
       ( resid 74 and name HA
  ) 3.6 0.7 0.7 volume=0.533 peak=688 ppm1=1.384 ppm2=3.798

assign ( resid 37 and name HG1#
  )
       ( resid 37 and name HA
  ) 3.6 0.7 0.7 volume=1.409 peak=689 ppm1=1.246 ppm2=3.996

assign ( resid 31 and name HG3
  )
       ( resid 31 and name HD3
  ) 3.6 0.7 0.7 volume=0.501 peak=690 ppm1=1.586 ppm2=3.932

assign ( resid 37 and name HB
  )
       ( resid 37 and name HA
  ) 3.6 0.7 0.7 volume=0.493 peak=691 ppm1=2.174 ppm2=3.996

assign ( resid 78 and name HB3
  )
       ( resid 78 and name HA
  ) 3.6 0.7 0.7 volume=0.519 peak=692 ppm1=2.083 ppm2=3.832

assign ( resid 11 and name HB2
  )
       ( resid 11 and name HA
  ) 3.6 0.7 0.7 volume=0.478 peak=693 ppm1=2.873 ppm2=3.843

assign ( resid 29 and name HE3
  or resid 64 and name HB3
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  ) 3.7 0.7 0.7 volume=0.439 peak=694 ppm1=2.798 ppm2=3.476

assign ( resid 43 and name HG1#
  )
       ( resid 42 and name HA
  or resid 87 and name HD3
  ) 4.3 0.9 0.9 volume=0.528 peak=695 ppm1=0.450 ppm2=3.706

assign ( resid 45 and name HG2#
  )
       ( resid 15 and name HA
  or resid 87 and name HD3
  ) 4.2 0.8 0.8 volume=0.619 peak=696 ppm1=0.793 ppm2=3.711

assign ( resid 21 and name HD1#
  )
       ( resid 18 and name HA
  or resid 67 and name HA
  ) 4.2 0.8 0.8 volume=0.587 peak=697 ppm1=0.590 ppm2=4.382

assign ( resid 59 and name HD1#
  )
       ( resid 59 and name HA
  ) 4.2 0.8 0.8 volume=0.615 peak=698 ppm1=0.581 ppm2=4.340

assign ( resid 59 and name HD1#
  )
       ( resid 20 and name HA2
  or resid 31 and name HA
  or resid 60 and name HA
  ) 4.2 0.8 0.8 volume=0.564 peak=699 ppm1=0.578 ppm2=4.272

assign ( resid 21 and name HD1#
  or resid 59 and name HD1#
  )
       ( resid 20 and name HA2
  or resid 50 and name HA
  or resid 60 and name HA
  ) 4.4 0.9 0.9 volume=0.469 peak=700 ppm1=0.585 ppm2=4.245

assign ( resid 12 and name HD1#
  )
       ( resid 9 and name HA
  or resid 85 and name HA2
  ) 4.3 0.9 0.9 volume=0.526 peak=701 ppm1=0.618 ppm2=4.306

assign ( resid 78 and name HG3
  )
       ( resid 78 and name HA
  ) 3.5 0.7 0.7 volume=0.577 peak=702 ppm1=1.447 ppm2=3.833

assign ( resid 11 and name HA
  )
       ( resid 90 and name HD1#
  ) 4.3 0.9 0.9 volume=0.539 peak=703 ppm1=3.839 ppm2=0.739

assign ( resid 13 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  )
       ( resid 90 and name HD1#
  ) 4.3 0.9 0.9 volume=0.498 peak=704 ppm1=4.388 ppm2=0.735

assign ( resid 24 and name HA
  )
       ( resid 24 and name HB3
  or resid 24 and name HB2
  ) 2.9 0.6 0.6 volume=1.860 peak=705 ppm1=4.119 ppm2=2.100

assign ( resid 20 and name HA1
  )
       ( resid 59 and name HD1#
  ) 4.3 0.9 0.9 volume=0.494 peak=706 ppm1=2.919 ppm2=0.579

assign ( resid 34 and name HB3
  )
       ( resid 34 and name HB2
  ) 2.6 0.5 0.5 volume=3.811 peak=707 ppm1=2.553 ppm2=3.033

assign ( resid 27 and name HB3
  )
       ( resid 27 and name HB2
  ) 2.8 0.6 0.6 volume=2.469 peak=708 ppm1=2.501 ppm2=2.935

assign ( resid 73 and name HB2
  )
       ( resid 73 and name HB3
  ) 3.2 0.6 0.6 volume=0.980 peak=709 ppm1=3.135 ppm2=3.390

assign ( resid 30 and name HB3
  or resid 76 and name HB2
  )
       ( resid 73 and name HB3
  ) 3.4 0.7 0.7 volume=0.697 peak=710 ppm1=3.173 ppm2=3.390

assign ( resid 22 and name HD2#
  )
       ( resid 26 and name HB2
  ) 4.1 0.8 0.8 volume=0.685 peak=711 ppm1=1.032 ppm2=3.267

assign ( resid 60 and name HD1#
  )
       ( resid 26 and name HB2
  ) 4.2 0.8 0.8 volume=0.572 peak=712 ppm1=0.776 ppm2=3.266

assign ( resid 21 and name HD2#
  )
       ( resid 66 and name HA1
  ) 4.2 0.8 0.8 volume=0.618 peak=713 ppm1=0.723 ppm2=3.198

assign ( resid 45 and name HG2#
  )
       ( resid 20 and name HA1
  ) 4.0 0.8 0.8 volume=0.767 peak=714 ppm1=0.794 ppm2=2.924

assign ( resid 22 and name HD2#
  )
       ( resid 26 and name HB3
  ) 4.2 0.8 0.8 volume=0.616 peak=715 ppm1=1.035 ppm2=2.835

assign ( resid 21 and name HB3
  or resid 59 and name HG2#
  )
       ( resid 20 and name HA1
  ) 3.7 0.7 0.7 volume=0.600 peak=716 ppm1=1.070 ppm2=2.923

assign ( resid 59 and name HD1#
  )
       ( resid 31 and name HG2
  ) 4.5 0.9 0.9 volume=0.405 peak=717 ppm1=0.573 ppm2=1.711

assign ( resid 60 and name HD1#
  )
       ( resid 22 and name HD1#
  ) 4.6 0.9 0.9 volume=1.061 peak=718 ppm1=0.775 ppm2=1.352

assign ( resid 21 and name HD2#
  )
       ( resid 21 and name HB3
  ) 3.6 0.7 0.7 volume=1.437 peak=719 ppm1=0.722 ppm2=1.084

assign ( resid 43 and name HG1#
  )
       ( resid 45 and name HG2#
  ) 4.5 0.9 0.9 volume=1.091 peak=720 ppm1=0.451 ppm2=0.792

assign ( resid 44 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  )
       ( resid 43 and name HG1#
  ) 4.0 0.8 0.8 volume=0.766 peak=721 ppm1=1.408 ppm2=0.451

assign ( resid 87 and name HG2
  )
       ( resid 43 and name HG1#
  ) 3.8 0.8 0.8 volume=1.062 peak=722 ppm1=1.989 ppm2=0.451

assign ( resid 12 and name HB2
  )
       ( resid 12 and name HD1#
  ) 3.8 0.8 0.8 volume=1.122 peak=723 ppm1=2.047 ppm2=0.616

assign ( resid 18 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  )
       ( resid 45 and name HG1#
  ) 3.9 0.8 0.8 volume=0.927 peak=724 ppm1=2.070 ppm2=0.627

assign ( resid 15 and name HB2
  or resid 18 and name HB3
  or resid 87 and name HG2
  )
       ( resid 45 and name HG1#
  ) 3.9 0.8 0.8 volume=0.916 peak=725 ppm1=1.985 ppm2=0.632

assign ( resid 10 and name HB2
  )
       ( resid 12 and name HD1#
  ) 3.9 0.8 0.8 volume=0.886 peak=726 ppm1=1.963 ppm2=0.619

assign ( resid 10 and name HB3
  )
       ( resid 12 and name HD1#
  ) 4.1 0.8 0.8 volume=0.692 peak=727 ppm1=1.800 ppm2=0.614

assign ( resid 42 and name HG3
  or resid 45 and name HG2#
  )
       ( resid 43 and name HG1#
  ) 3.9 0.8 0.8 volume=1.480 peak=728 ppm1=0.789 ppm2=0.447

assign ( resid 15 and name HD3
  )
       ( resid 15 and name HD2
  ) 3.0 0.6 0.6 volume=1.488 peak=729 ppm1=3.588 ppm2=4.076

assign ( resid 21 and name HB3
  )
       ( resid 21 and name HA
  ) 3.5 0.7 0.7 volume=0.625 peak=730 ppm1=1.078 ppm2=5.243

assign ( resid 22 and name HD2#
  )
       ( resid 22 and name HA
  ) 3.6 0.7 0.7 volume=1.376 peak=731 ppm1=1.035 ppm2=6.025

assign ( resid 41 and name HG3
  or resid 41 and name HG2
  )
       ( resid 41 and name HA
  ) 3.6 0.7 0.7 volume=0.498 peak=732 ppm1=1.791 ppm2=5.060

assign ( resid 73 and name HB2
  )
       ( resid 73 and name HA
  ) 3.6 0.7 0.7 volume=0.462 peak=733 ppm1=3.154 ppm2=5.085

assign ( resid 30 and name HB3
  )
       ( resid 30 and name HA
  ) 3.6 0.7 0.7 volume=0.464 peak=734 ppm1=3.170 ppm2=5.213

assign ( resid 12 and name HD2#
  )
       ( resid 11 and name HN
  ) 4.0 0.8 0.8 volume=0.748 peak=735 ppm1=0.869 ppm2=8.760

assign ( resid 37 and name HG1#
  )
       ( resid 34 and name HN
  or resid 38 and name HN
  ) 3.7 0.7 0.7 volume=1.178 peak=736 ppm1=1.245 ppm2=8.485

assign ( resid 32 and name HG12
  )
       ( resid 32 and name HN
  ) 3.6 0.7 0.7 volume=0.483 peak=737 ppm1=1.657 ppm2=8.620

assign ( resid 60 and name HD1#
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  ) 4.5 0.9 0.9 volume=0.408 peak=738 ppm1=0.778 ppm2=8.890

assign ( resid 10 and name HB3
  or resid 12 and name HB3
  or resid 89 and name HG12
  )
       ( resid 11 and name HN
  ) 3.9 0.8 0.8 volume=0.321 peak=739 ppm1=1.770 ppm2=8.768

assign ( resid 38 and name HB3
  )
       ( resid 38 and name HN
  ) 3.7 0.7 0.7 volume=0.418 peak=740 ppm1=1.881 ppm2=8.487

assign ( resid 8 and name HB3
  )
       ( resid 8 and name HN
  ) 3.6 0.7 0.7 volume=0.455 peak=741 ppm1=1.452 ppm2=7.945

assign ( resid 43 and name HG1#
  )
       ( resid 43 and name HN
  ) 4.2 0.8 0.8 volume=0.577 peak=742 ppm1=0.452 ppm2=8.134

assign ( resid 45 and name HG1#
  )
       ( resid 48 and name HD21
  or resid 50 and name HN
  ) 4.4 0.9 0.9 volume=0.427 peak=743 ppm1=0.636 ppm2=7.854

assign ( resid 12 and name HD1#
  )
       ( resid 85 and name HN
  or resid 88 and name HN
  ) 4.7 0.9 0.9 volume=0.301 peak=744 ppm1=0.618 ppm2=7.781

assign ( resid 43 and name HG2#
  )
       ( resid 44 and name HN
  ) 4.6 0.9 0.9 volume=0.330 peak=745 ppm1=-0.117 ppm2=7.601

assign ( resid 29 and name HG3
  )
       ( resid 29 and name HN
  ) 3.9 0.8 0.8 volume=0.291 peak=746 ppm1=0.391 ppm2=7.530

assign ( resid 21 and name HD2#
  )
       ( resid 22 and name HN
  ) 4.5 0.9 0.9 volume=0.408 peak=747 ppm1=0.724 ppm2=9.291

assign ( resid 22 and name HD1#
  )
       ( resid 22 and name HN
  ) 4.5 0.9 0.9 volume=0.412 peak=748 ppm1=1.355 ppm2=9.287

assign ( resid 12 and name HB3
  )
       ( resid 12 and name HN
  ) 3.9 0.8 0.8 volume=0.320 peak=749 ppm1=1.760 ppm2=9.516

assign ( resid 85 and name HA1
  )
       ( resid 86 and name HN
  ) 3.6 0.7 0.7 volume=0.504 peak=750 ppm1=3.347 ppm2=8.832

assign ( resid 71 and name HD#
  )
       ( resid 72 and name HN
  ) 4.1 0.8 0.8 volume=0.440 peak=751 ppm1=6.933 ppm2=9.334

assign ( resid 12 and name HN
  )
       ( resid 86 and name HN
  ) 4.0 0.8 0.8 volume=0.268 peak=752 ppm1=9.513 ppm2=8.829

assign ( resid 89 and name HN
  )
       ( resid 88 and name HN
  ) 3.9 0.8 0.8 volume=0.298 peak=753 ppm1=8.768 ppm2=7.795

assign ( resid 71 and name HD#
  )
       ( resid 71 and name HZ
  ) 3.4 0.7 0.7 volume=1.486 peak=754 ppm1=6.930 ppm2=7.325

assign ( resid 73 and name HN
  )
       ( resid 72 and name HD#
  ) 4.4 0.9 0.9 volume=0.308 peak=755 ppm1=9.564 ppm2=6.962

assign ( resid 36 and name HN
  )
       ( resid 35 and name HB3
  ) 3.7 0.7 0.7 volume=0.402 peak=756 ppm1=8.726 ppm2=4.057

assign ( resid 13 and name HN
  )
       ( resid 12 and name HA
  ) 3.8 0.8 0.8 volume=0.360 peak=757 ppm1=8.549 ppm2=3.753

assign ( resid 92 and name HN
  or resid 97 and name HN
  or resid 104 and name HN
  )
       ( resid 92 and name HA
  or resid 97 and name HA
  or resid 104 and name HA
  ) 3.7 0.7 0.7 volume=0.416 peak=758 ppm1=8.213 ppm2=4.328

assign ( resid 36 and name HD#
  )
       ( resid 28 and name HA2
  ) 4.2 0.8 0.8 volume=0.419 peak=759 ppm1=7.151 ppm2=3.730

assign ( resid 71 and name HD#
  )
       ( resid 43 and name HG2#
  ) 5.3 1.1 1.1 volume=0.281 peak=760 ppm1=6.931 ppm2=-0.121

assign ( resid 71 and name HN
  )
       ( resid 43 and name HG2#
  ) 4.8 1.0 1.0 volume=0.275 peak=761 ppm1=8.879 ppm2=-0.122

assign ( resid 18 and name HN
  )
       ( resid 45 and name HG1#
  ) 4.6 0.9 0.9 volume=0.335 peak=762 ppm1=8.625 ppm2=0.633

assign ( resid 49 and name HN
  )
       ( resid 45 and name HG1#
  ) 4.7 0.9 0.9 volume=0.301 peak=763 ppm1=9.186 ppm2=0.633

assign ( resid 24 and name HA
  )
       ( resid 27 and name HB3
  ) 3.8 0.8 0.8 volume=0.380 peak=764 ppm1=4.124 ppm2=2.506

assign ( resid 23 and name HB2
  )
       ( resid 23 and name HN
  ) 3.8 0.8 0.8 volume=0.341 peak=765 ppm1=2.600 ppm2=9.608

assign ( resid 88 and name HG2
  )
       ( resid 88 and name HN
  ) 3.4 0.7 0.7 volume=0.744 peak=766 ppm1=1.957 ppm2=7.799

assign ( resid 74 and name HA
  )
       ( resid 40 and name HB3
  ) 3.6 0.7 0.7 volume=0.533 peak=767 ppm1=3.802 ppm2=1.383

assign ( resid 11 and name HA
  )
       ( resid 90 and name HG
  ) 3.6 0.7 0.7 volume=0.484 peak=768 ppm1=3.845 ppm2=1.487

assign ( resid 78 and name HA
  )
       ( resid 78 and name HG3
  ) 3.5 0.7 0.7 volume=0.563 peak=769 ppm1=3.833 ppm2=1.463

assign ( resid 78 and name HA
  )
       ( resid 78 and name HB3
  ) 3.5 0.7 0.7 volume=0.550 peak=770 ppm1=3.830 ppm2=2.071

assign ( resid 21 and name HA
  )
       ( resid 21 and name HD1#
  ) 4.3 0.9 0.9 volume=0.510 peak=771 ppm1=5.238 ppm2=0.588

assign ( resid 45 and name HA
  )
       ( resid 45 and name HG2#
  ) 4.4 0.9 0.9 volume=0.465 peak=772 ppm1=5.262 ppm2=0.792

assign ( resid 51 and name HD#
  )
       ( resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  ) 4.2 0.8 0.8 volume=0.413 peak=773 ppm1=7.325 ppm2=2.348

assign ( resid 65 and name HN
  )
       ( resid 64 and name HB3
  ) 3.9 0.8 0.8 volume=0.308 peak=774 ppm1=8.594 ppm2=2.801

assign ( resid 91 and name HD21
  )
       ( resid 8 and name HD2#
  ) 4.5 0.9 0.9 volume=0.401 peak=775 ppm1=7.572 ppm2=0.824

assign ( resid 72 and name HE#
  )
       ( resid 72 and name HA
  ) 4.4 0.9 0.9 volume=0.299 peak=776 ppm1=6.889 ppm2=5.369

assign ( resid 43 and name HG2#
  )
       ( resid 71 and name HN
  ) 4.7 0.9 0.9 volume=0.303 peak=777 ppm1=-0.120 ppm2=8.884

assign ( resid 18 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  )
       ( resid 18 and name HN
  ) 3.5 0.7 0.7 volume=0.599 peak=778 ppm1=2.071 ppm2=8.625

assign ( resid 6 and name HB3
  )
       ( resid 6 and name HD#
  ) 3.6 0.7 0.7 volume=0.995 peak=779 ppm1=2.974 ppm2=7.235

assign ( resid 23 and name HB2
  )
       ( resid 23 and name HA
  ) 3.4 0.7 0.7 volume=0.732 peak=780 ppm1=2.603 ppm2=5.162

assign ( resid 68 and name HB2
  )
       ( resid 68 and name HA
  ) 3.4 0.7 0.7 volume=0.672 peak=781 ppm1=2.662 ppm2=5.183

assign ( resid 61 and name HB3
  )
       ( resid 61 and name HN
  ) 3.7 0.7 0.7 volume=0.413 peak=782 ppm1=2.715 ppm2=8.173

assign ( resid 8 and name HD1#
  )
       ( resid 72 and name HD#
  or resid 91 and name HD22
  or resid 100 and name HD2
  ) 4.0 0.8 0.8 volume=0.972 peak=783 ppm1=0.912 ppm2=6.973

assign ( resid 32 and name HG13
  )
       ( resid 32 and name HN
  ) 3.8 0.8 0.8 volume=0.349 peak=784 ppm1=1.558 ppm2=8.623

assign ( resid 55 and name HB#
  )
       ( resid 56 and name HN
  ) 4.4 0.9 0.9 volume=0.447 peak=785 ppm1=1.334 ppm2=7.847

assign ( resid 15 and name HA
  )
       ( resid 16 and name HN
  ) 3.1 0.6 0.6 volume=1.262 peak=786 ppm1=3.695 ppm2=8.259

assign ( resid 20 and name HA1
  )
       ( resid 21 and name HB3
  or resid 59 and name HG2#
  ) 3.8 0.8 0.8 volume=0.513 peak=787 ppm1=2.933 ppm2=1.069

assign ( resid 26 and name HB3
  )
       ( resid 22 and name HD2#
  ) 4.2 0.8 0.8 volume=0.602 peak=788 ppm1=2.840 ppm2=1.031

assign ( resid 71 and name HB2
  )
       ( resid 39 and name HB3
  ) 3.4 0.7 0.7 volume=0.708 peak=789 ppm1=2.846 ppm2=1.128

assign ( resid 11 and name HB2
  )
       ( resid 13 and name HN
  ) 3.7 0.7 0.7 volume=0.420 peak=790 ppm1=2.871 ppm2=8.555

assign ( resid 50 and name HA
  )
       ( resid 50 and name HB3
  ) 3.7 0.7 0.7 volume=0.453 peak=791 ppm1=4.232 ppm2=3.889

assign ( resid 73 and name HB3
  )
       ( resid 73 and name HB2
  ) 3.3 0.7 0.7 volume=0.858 peak=792 ppm1=3.399 ppm2=3.138

assign ( resid 74 and name HA
  )
       ( resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  ) 3.6 0.7 0.7 volume=0.599 peak=793 ppm1=3.797 ppm2=1.082

assign ( resid 10 and name HG2
  )
       ( resid 87 and name HA
  ) 3.9 0.8 0.8 volume=0.285 peak=794 ppm1=2.437 ppm2=5.098

assign ( resid 71 and name HB3
  or resid 72 and name HB2
  )
       ( resid 39 and name HB3
  ) 3.5 0.7 0.7 volume=0.613 peak=795 ppm1=2.596 ppm2=1.126

assign ( resid 69 and name HB2
  )
       ( resid 42 and name HG2
  ) 3.5 0.7 0.7 volume=0.570 peak=796 ppm1=2.442 ppm2=1.125

assign ( resid 83 and name HA
  )
       ( resid 83 and name HN
  ) 3.9 0.8 0.8 volume=0.289 peak=797 ppm1=4.270 ppm2=7.187

assign ( resid 18 and name HG2
  )
       ( resid 18 and name HN
  ) 3.9 0.8 0.8 volume=0.315 peak=798 ppm1=2.433 ppm2=8.622

assign ( resid 24 and name HG2
  )
       ( resid 24 and name HN
  ) 3.8 0.8 0.8 volume=0.349 peak=799 ppm1=2.386 ppm2=9.009

assign ( resid 24 and name HG3
  )
       ( resid 24 and name HN
  ) 3.9 0.8 0.8 volume=0.315 peak=800 ppm1=2.351 ppm2=9.004

assign ( resid 11 and name HA
  )
       ( resid 11 and name HB2
  ) 3.9 0.8 0.8 volume=0.284 peak=801 ppm1=3.847 ppm2=2.873

assign ( resid 26 and name HA
  )
       ( resid 26 and name HB3
  ) 3.8 0.8 0.8 volume=0.338 peak=802 ppm1=4.066 ppm2=2.838

assign ( resid 23 and name HB3
  or resid 30 and name HB2
  )
       ( resid 29 and name HE3
  or resid 64 and name HB3
  ) 3.7 0.7 0.7 volume=0.401 peak=803 ppm1=3.477 ppm2=2.796

assign ( resid 66 and name HA1
  )
       ( resid 65 and name HA
  ) 3.9 0.8 0.8 volume=0.317 peak=804 ppm1=3.201 ppm2=3.999

assign ( resid 77 and name HB2
  or resid 77 and name HB3
  )
       ( resid 74 and name HA
  ) 3.7 0.7 0.7 volume=0.397 peak=805 ppm1=2.643 ppm2=3.797

assign ( resid 30 and name HB2
  )
       ( resid 30 and name HA
  ) 3.8 0.8 0.8 volume=0.381 peak=806 ppm1=3.472 ppm2=5.213

assign ( resid 33 and name HB2
  )
       ( resid 33 and name HN
  ) 3.8 0.8 0.8 volume=0.352 peak=807 ppm1=3.276 ppm2=7.654

assign ( resid 49 and name HB2
  )
       ( resid 49 and name HN
  ) 3.8 0.8 0.8 volume=0.332 peak=808 ppm1=2.756 ppm2=9.178

assign ( resid 58 and name HB3
  )
       ( resid 58 and name HN
  ) 3.6 0.7 0.7 volume=0.467 peak=809 ppm1=3.347 ppm2=8.555

assign ( resid 35 and name HB2
  )
       ( resid 35 and name HA
  ) 3.8 0.8 0.8 volume=0.375 peak=810 ppm1=4.305 ppm2=4.612

assign ( resid 75 and name HB2
  )
       ( resid 37 and name HG1#
  ) 4.4 0.9 0.9 volume=0.436 peak=811 ppm1=2.275 ppm2=1.243

assign ( resid 31 and name HG3
  )
       ( resid 43 and name HG1#
  ) 4.2 0.8 0.8 volume=0.628 peak=812 ppm1=1.576 ppm2=0.450

assign ( resid 90 and name HG
  )
       ( resid 11 and name HN
  ) 3.8 0.8 0.8 volume=0.348 peak=813 ppm1=1.476 ppm2=8.766

assign ( resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  )
       ( resid 11 and name HN
  ) 3.8 0.8 0.8 volume=0.365 peak=814 ppm1=1.395 ppm2=8.768

assign ( resid 90 and name HD2#
  )
       ( resid 11 and name HB3
  ) 3.9 0.8 0.8 volume=0.883 peak=815 ppm1=0.871 ppm2=2.733

assign ( resid 59 and name HG13
  )
       ( resid 59 and name HN
  ) 3.7 0.7 0.7 volume=0.451 peak=816 ppm1=1.229 ppm2=8.887

assign ( resid 37 and name HG1#
  or resid 40 and name HD2
  )
       ( resid 74 and name HN
  ) 3.8 0.8 0.8 volume=0.530 peak=817 ppm1=1.245 ppm2=9.050

assign ( resid 59 and name HG2#
  )
       ( resid 43 and name HG1#
  ) 5.1 1.0 1.0 volume=0.579 peak=818 ppm1=1.068 ppm2=0.451

assign ( resid 67 and name HG2#
  )
       ( resid 68 and name HA
  ) 3.8 0.8 0.8 volume=1.096 peak=819 ppm1=0.905 ppm2=5.159

assign ( resid 21 and name HD1#
  )
       ( resid 68 and name HN
  ) 4.7 0.9 0.9 volume=0.316 peak=820 ppm1=0.593 ppm2=8.162

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  )
       ( resid 67 and name HN
  ) 3.6 0.7 0.7 volume=1.440 peak=821 ppm1=0.907 ppm2=8.480

assign ( resid 37 and name HG1#
  )
       ( resid 75 and name HN
  ) 4.1 0.8 0.8 volume=0.729 peak=822 ppm1=1.246 ppm2=8.153

assign ( resid 26 and name HA
  or resid 29 and name HA
  or resid 35 and name HB3
  )
       ( resid 29 and name HG3
  ) 3.8 0.8 0.8 volume=0.373 peak=823 ppm1=4.061 ppm2=0.398

assign ( resid 37 and name HG2#
  )
       ( resid 75 and name HN
  ) 4.6 0.9 0.9 volume=0.355 peak=824 ppm1=1.089 ppm2=8.155

assign ( resid 20 and name HA1
  )
       ( resid 43 and name HG1#
  ) 4.4 0.9 0.9 volume=0.416 peak=825 ppm1=2.919 ppm2=0.451

assign ( resid 87 and name HG2
  )
       ( resid 43 and name HG2#
  ) 4.5 0.9 0.9 volume=0.370 peak=826 ppm1=1.988 ppm2=-0.123

assign ( resid 6 and name HD#
  )
       ( resid 6 and name HA
  ) 3.3 0.7 0.7 volume=1.821 peak=827 ppm1=7.234 ppm2=4.688

assign ( resid 14 and name HE22
  or resid 71 and name HD#
  )
       ( resid 14 and name HG2
  or resid 14 and name HG3
  ) 4.0 0.8 0.8 volume=0.357 peak=828 ppm1=6.937 ppm2=2.436

assign ( resid 36 and name HD#
  )
       ( resid 29 and name HG3
  ) 4.5 0.9 0.9 volume=0.262 peak=829 ppm1=7.147 ppm2=0.394

assign ( resid 83 and name HN
  )
       ( resid 83 and name HA
  ) 3.2 0.6 0.6 volume=1.049 peak=830 ppm1=7.194 ppm2=4.279

assign ( resid 73 and name HN
  )
       ( resid 30 and name HA
  ) 4.0 0.8 0.8 volume=0.271 peak=831 ppm1=9.577 ppm2=5.222

assign ( resid 86 and name HN
  )
       ( resid 46 and name HN
  ) 4.2 0.8 0.8 volume=0.207 peak=832 ppm1=8.833 ppm2=9.747

assign ( resid 23 and name HN
  )
       ( resid 24 and name HN
  ) 4.0 0.8 0.8 volume=0.257 peak=833 ppm1=9.598 ppm2=8.998

assign ( resid 13 and name HN
  )
       ( resid 14 and name HN
  ) 3.8 0.8 0.8 volume=0.368 peak=834 ppm1=8.552 ppm2=8.377

assign ( resid 23 and name HN
  )
       ( resid 58 and name HA
  ) 3.9 0.8 0.8 volume=0.305 peak=835 ppm1=9.603 ppm2=4.225

assign ( resid 7 and name HN
  )
       ( resid 6 and name HA
  ) 3.3 0.7 0.7 volume=0.803 peak=836 ppm1=8.296 ppm2=4.696

assign ( resid 8 and name HN
  )
       ( resid 8 and name HA
  ) 3.3 0.7 0.7 volume=0.884 peak=837 ppm1=7.949 ppm2=4.571

assign ( resid 84 and name HN
  )
       ( resid 81 and name HA
  ) 4.2 0.8 0.8 volume=0.199 peak=838 ppm1=7.555 ppm2=4.180

assign ( resid 51 and name HN
  )
       ( resid 48 and name HA
  ) 4.0 0.8 0.8 volume=0.278 peak=839 ppm1=7.343 ppm2=4.468

assign ( resid 51 and name HN
  )
       ( resid 49 and name HA
  ) 4.0 0.8 0.8 volume=0.278 peak=840 ppm1=7.342 ppm2=3.944

assign ( resid 51 and name HN
  )
       ( resid 50 and name HB2
  ) 4.0 0.8 0.8 volume=0.246 peak=841 ppm1=7.344 ppm2=3.632

assign ( resid 46 and name HN
  )
       ( resid 49 and name HB3
  ) 3.9 0.8 0.8 volume=0.305 peak=842 ppm1=9.749 ppm2=3.002

assign ( resid 86 and name HN
  )
       ( resid 46 and name HB2
  ) 4.0 0.8 0.8 volume=0.249 peak=843 ppm1=8.833 ppm2=3.217

assign ( resid 75 and name HN
  )
       ( resid 74 and name HA
  ) 3.8 0.8 0.8 volume=0.337 peak=844 ppm1=8.144 ppm2=3.794

assign ( resid 37 and name HN
  )
       ( resid 29 and name HA
  or resid 35 and name HB3
  ) 3.8 0.8 0.8 volume=0.368 peak=845 ppm1=8.059 ppm2=4.065

assign ( resid 7 and name HN
  )
       ( resid 7 and name HB2
  ) 3.7 0.7 0.7 volume=0.397 peak=846 ppm1=8.300 ppm2=2.642

assign ( resid 7 and name HN
  )
       ( resid 7 and name HB3
  ) 3.7 0.7 0.7 volume=0.387 peak=847 ppm1=8.295 ppm2=2.604

assign ( resid 26 and name HN
  )
       ( resid 27 and name HB2
  ) 4.0 0.8 0.8 volume=0.269 peak=848 ppm1=8.288 ppm2=2.944

assign ( resid 21 and name HN
  )
       ( resid 20 and name HA1
  ) 3.4 0.7 0.7 volume=0.638 peak=849 ppm1=8.498 ppm2=2.916

assign ( resid 75 and name HN
  )
       ( resid 75 and name HB2
  ) 3.1 0.6 0.6 volume=1.258 peak=850 ppm1=8.145 ppm2=2.277

assign ( resid 22 and name HN
  )
       ( resid 21 and name HD2#
  ) 4.8 1.0 1.0 volume=0.264 peak=851 ppm1=9.287 ppm2=0.728

assign ( resid 22 and name HN
  )
       ( resid 58 and name HB2
  or resid 68 and name HB2
  ) 3.9 0.8 0.8 volume=0.308 peak=852 ppm1=9.288 ppm2=2.663

assign ( resid 22 and name HN
  )
       ( resid 66 and name HA1
  ) 4.0 0.8 0.8 volume=0.276 peak=853 ppm1=9.287 ppm2=3.208

assign ( resid 24 and name HN
  )
       ( resid 24 and name HG3
  ) 3.7 0.7 0.7 volume=0.390 peak=854 ppm1=9.009 ppm2=2.341

assign ( resid 66 and name HN
  )
       ( resid 66 and name HA2
  ) 3.2 0.6 0.6 volume=0.993 peak=855 ppm1=9.070 ppm2=3.459

assign ( resid 47 and name HN
  )
       ( resid 15 and name HA
  ) 3.9 0.8 0.8 volume=0.319 peak=856 ppm1=8.806 ppm2=3.701

assign ( resid 71 and name HN
  )
       ( resid 71 and name HA
  ) 4.0 0.8 0.8 volume=0.260 peak=857 ppm1=8.874 ppm2=5.003

assign ( resid 74 and name HN
  )
       ( resid 74 and name HD1
  or resid 74 and name HH2
  ) 4.1 0.8 0.8 volume=0.216 peak=858 ppm1=9.052 ppm2=7.267

assign ( resid 47 and name HN
  )
       ( resid 46 and name HN
  ) 4.4 0.9 0.9 volume=0.153 peak=859 ppm1=8.810 ppm2=9.759

assign ( resid 74 and name HN
  )
       ( resid 73 and name HN
  ) 4.0 0.8 0.8 volume=0.260 peak=860 ppm1=9.050 ppm2=9.569

assign ( resid 61 and name HN
  or resid 68 and name HN
  )
       ( resid 21 and name HD1#
  ) 4.7 0.9 0.9 volume=0.287 peak=861 ppm1=8.167 ppm2=0.593

assign ( resid 17 and name HN
  )
       ( resid 18 and name HB3
  ) 4.2 0.8 0.8 volume=0.192 peak=862 ppm1=8.217 ppm2=1.984

assign ( resid 62 and name HN
  )
       ( resid 58 and name HB2
  ) 3.9 0.8 0.8 volume=0.323 peak=863 ppm1=7.843 ppm2=2.657

assign ( resid 77 and name HN
  )
       ( resid 76 and name HB3
  ) 3.5 0.7 0.7 volume=0.599 peak=864 ppm1=8.056 ppm2=2.669

assign ( resid 91 and name HN
  )
       ( resid 91 and name HB2
  ) 3.9 0.8 0.8 volume=0.303 peak=865 ppm1=8.248 ppm2=2.766

assign ( resid 77 and name HN
  )
       ( resid 74 and name HA
  ) 3.8 0.8 0.8 volume=0.332 peak=866 ppm1=8.057 ppm2=3.797

assign ( resid 61 and name HN
  )
       ( resid 62 and name HA
  ) 3.7 0.7 0.7 volume=0.393 peak=867 ppm1=8.180 ppm2=4.671

assign ( resid 25 and name HN
  )
       ( resid 23 and name HA
  ) 4.2 0.8 0.8 volume=0.203 peak=868 ppm1=8.400 ppm2=5.163

assign ( resid 32 and name HN
  )
       ( resid 72 and name HD#
  ) 4.7 0.9 0.9 volume=0.210 peak=869 ppm1=8.615 ppm2=6.970

assign ( resid 67 and name HN
  )
       ( resid 66 and name HN
  ) 4.0 0.8 0.8 volume=0.247 peak=870 ppm1=8.497 ppm2=9.066

assign ( resid 41 and name HN
  )
       ( resid 72 and name HN
  ) 4.0 0.8 0.8 volume=0.281 peak=871 ppm1=7.645 ppm2=9.333

assign ( resid 64 and name HN
  )
       ( resid 65 and name HN
  ) 4.0 0.8 0.8 volume=0.260 peak=872 ppm1=6.899 ppm2=8.600

assign ( resid 33 and name HN
  )
       ( resid 33 and name HB2
  ) 4.0 0.8 0.8 volume=0.281 peak=873 ppm1=7.656 ppm2=3.262

assign ( resid 66 and name HN
  )
       ( resid 67 and name HN
  ) 3.9 0.8 0.8 volume=0.317 peak=874 ppm1=9.065 ppm2=8.493

assign ( resid 66 and name HN
  )
       ( resid 65 and name HN
  ) 4.1 0.8 0.8 volume=0.230 peak=875 ppm1=9.067 ppm2=8.607

assign ( resid 16 and name HN
  )
       ( resid 47 and name HN
  ) 4.1 0.8 0.8 volume=0.225 peak=876 ppm1=8.271 ppm2=8.807

assign ( resid 19 and name HN
  )
       ( resid 18 and name HN
  ) 3.9 0.8 0.8 volume=0.310 peak=877 ppm1=8.118 ppm2=8.621

assign ( resid 14 and name HE21
  )
       ( resid 14 and name HG2
  or resid 14 and name HG3
  ) 3.6 0.7 0.7 volume=0.510 peak=878 ppm1=7.668 ppm2=2.469

assign ( resid 18 and name HE21
  )
       ( resid 18 and name HG3
  ) 3.9 0.8 0.8 volume=0.310 peak=879 ppm1=7.716 ppm2=2.352

assign ( resid 19 and name HN
  )
       ( resid 18 and name HG3
  ) 3.9 0.8 0.8 volume=0.295 peak=880 ppm1=8.121 ppm2=2.363

assign ( resid 45 and name HN
  )
       ( resid 44 and name HB2
  ) 3.8 0.8 0.8 volume=0.358 peak=881 ppm1=8.137 ppm2=1.939

assign ( resid 18 and name HE22
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  ) 4.5 0.9 0.9 volume=0.408 peak=882 ppm1=6.841 ppm2=0.943

assign ( resid 12 and name HN
  )
       ( resid 86 and name HB2
  ) 3.8 0.8 0.8 volume=0.340 peak=883 ppm1=9.520 ppm2=3.139

assign ( resid 80 and name HN
  )
       ( resid 82 and name HN
  ) 3.9 0.8 0.8 volume=0.295 peak=884 ppm1=7.719 ppm2=9.252

assign ( resid 20 and name HN
  )
       ( resid 44 and name HA
  ) 3.8 0.8 0.8 volume=0.381 peak=885 ppm1=7.986 ppm2=5.146

assign ( resid 80 and name HN
  )
       ( resid 78 and name HA
  ) 4.0 0.8 0.8 volume=0.249 peak=886 ppm1=7.720 ppm2=3.832

assign ( resid 88 and name HE
  )
       ( resid 88 and name HD3
  ) 4.3 0.9 0.9 volume=0.180 peak=887 ppm1=7.607 ppm2=3.522

assign ( resid 91 and name HN
  )
       ( resid 91 and name HA
  ) 3.6 0.7 0.7 volume=0.488 peak=888 ppm1=8.239 ppm2=4.818

assign ( resid 73 and name HN
  )
       ( resid 30 and name HB3
  or resid 76 and name HB2
  ) 3.6 0.7 0.7 volume=0.535 peak=889 ppm1=9.568 ppm2=3.174

assign ( resid 80 and name HN
  )
       ( resid 79 and name HN
  ) 3.2 0.6 0.6 volume=1.072 peak=890 ppm1=7.720 ppm2=7.626

assign ( resid 12 and name HN
  )
       ( resid 12 and name HB2
  ) 4.0 0.8 0.8 volume=0.263 peak=891 ppm1=9.516 ppm2=2.051

assign ( resid 73 and name HN
  )
       ( resid 30 and name HB2
  ) 4.1 0.8 0.8 volume=0.236 peak=892 ppm1=9.569 ppm2=3.477

assign ( resid 12 and name HG
  )
       ( resid 12 and name HN
  ) 3.9 0.8 0.8 volume=0.306 peak=893 ppm1=1.308 ppm2=9.513

assign ( resid 21 and name HA
  )
       ( resid 22 and name HN
  ) 3.8 0.8 0.8 volume=0.364 peak=894 ppm1=5.246 ppm2=9.291

assign ( resid 49 and name HA
  )
       ( resid 49 and name HN
  ) 3.8 0.8 0.8 volume=0.333 peak=895 ppm1=3.948 ppm2=9.179

assign ( resid 43 and name HG1#
  )
       ( resid 19 and name HA
  ) 4.6 0.9 0.9 volume=0.320 peak=896 ppm1=0.444 ppm2=4.994

assign ( resid 43 and name HG1#
  )
       ( resid 87 and name HD2
  ) 4.8 1.0 1.0 volume=0.277 peak=897 ppm1=0.449 ppm2=4.127

assign ( resid 43 and name HG2#
  )
       ( resid 31 and name HD2
  ) 4.6 0.9 0.9 volume=0.336 peak=898 ppm1=-0.118 ppm2=4.088

assign ( resid 43 and name HG1#
  )
       ( resid 20 and name HA2
  ) 4.9 1.0 1.0 volume=0.235 peak=899 ppm1=0.455 ppm2=4.252

assign ( resid 43 and name HG2#
  )
       ( resid 31 and name HA
  ) 5.0 1.0 1.0 volume=0.214 peak=900 ppm1=-0.116 ppm2=4.272

assign ( resid 43 and name HG1#
  )
       ( resid 20 and name HA1
  ) 4.7 0.9 0.9 volume=0.306 peak=901 ppm1=0.449 ppm2=2.924

assign ( resid 43 and name HG2#
  )
       ( resid 87 and name HG2
  ) 4.8 1.0 1.0 volume=0.277 peak=902 ppm1=-0.118 ppm2=1.997

assign ( resid 29 and name HG3
  )
       ( resid 60 and name HD1#
  ) 4.7 0.9 0.9 volume=0.294 peak=903 ppm1=0.394 ppm2=0.778

assign ( resid 43 and name HG1#
  )
       ( resid 59 and name HG2#
  ) 5.6 1.1 1.1 volume=0.310 peak=904 ppm1=0.450 ppm2=1.066

assign ( resid 43 and name HG2#
  )
       ( resid 59 and name HG2#
  ) 5.8 1.2 1.2 volume=0.253 peak=905 ppm1=-0.119 ppm2=1.063

assign ( resid 87 and name HD3
  )
       ( resid 43 and name HG1#
  ) 4.2 0.8 0.8 volume=0.585 peak=906 ppm1=3.708 ppm2=0.450

assign ( resid 22 and name HB2
  )
       ( resid 22 and name HA
  ) 3.8 0.8 0.8 volume=0.363 peak=907 ppm1=1.755 ppm2=6.025

assign ( resid 21 and name HB2
  or resid 22 and name HG
  )
       ( resid 22 and name HA
  ) 3.7 0.7 0.7 volume=0.417 peak=908 ppm1=1.575 ppm2=6.026

assign ( resid 21 and name HG
  or resid 22 and name HB3
  )
       ( resid 22 and name HA
  ) 3.7 0.7 0.7 volume=0.436 peak=909 ppm1=1.500 ppm2=6.024

assign ( resid 74 and name HZ2
  )
       ( resid 74 and name HZ3
  ) 3.4 0.7 0.7 volume=0.648 peak=910 ppm1=7.549 ppm2=7.225

assign ( resid 72 and name HD#
  )
       ( resid 82 and name HA
  ) 4.4 0.9 0.9 volume=0.300 peak=911 ppm1=6.974 ppm2=3.226

assign ( resid 72 and name HD#
  )
       ( resid 30 and name HB3
  or resid 76 and name HB2
  ) 4.3 0.9 0.9 volume=0.337 peak=912 ppm1=6.975 ppm2=3.176

assign ( resid 72 and name HD#
  )
       ( resid 32 and name HB
  ) 4.5 0.9 0.9 volume=0.262 peak=913 ppm1=6.975 ppm2=3.116

assign ( resid 72 and name HE#
  )
       ( resid 82 and name HA
  ) 4.2 0.8 0.8 volume=0.376 peak=914 ppm1=6.888 ppm2=3.227

assign ( resid 21 and name HD2#
  )
       ( resid 66 and name HN
  ) 4.9 1.0 1.0 volume=0.226 peak=915 ppm1=0.719 ppm2=9.065

assign ( resid 12 and name HD1#
  )
       ( resid 86 and name HN
  ) 4.7 0.9 0.9 volume=0.284 peak=916 ppm1=0.618 ppm2=8.831

assign ( resid 59 and name HD1#
  )
       ( resid 31 and name HB3
  or resid 88 and name HB2
  or resid 88 and name HB3
  ) 4.4 0.9 0.9 volume=0.418 peak=917 ppm1=0.580 ppm2=1.875

assign ( resid 12 and name HD1#
  )
       ( resid 12 and name HD2#
  ) 3.3 0.7 0.7 volume=7.727 peak=918 ppm1=0.617 ppm2=0.879

assign ( resid 45 and name HG1#
  )
       ( resid 45 and name HG2#
  ) 3.5 0.7 0.7 volume=5.010 peak=919 ppm1=0.636 ppm2=0.791

assign ( resid 21 and name HD1#
  )
       ( resid 21 and name HD2#
  ) 3.5 0.7 0.7 volume=5.685 peak=920 ppm1=0.593 ppm2=0.721

assign ( resid 21 and name HD2#
  )
       ( resid 21 and name HD1#
  ) 3.3 0.7 0.7 volume=6.844 peak=921 ppm1=0.723 ppm2=0.591

assign ( resid 59 and name HD1#
  )
       ( resid 45 and name HG2#
  or resid 60 and name HD1#
  ) 4.4 0.9 0.9 volume=1.341 peak=922 ppm1=0.577 ppm2=0.792

assign ( resid 21 and name HD1#
  or resid 59 and name HD1#
  )
       ( resid 43 and name HG1#
  ) 4.1 0.8 0.8 volume=1.934 peak=923 ppm1=0.585 ppm2=0.457

assign ( resid 24 and name HG3
  )
       ( resid 25 and name HN
  ) 3.9 0.8 0.8 volume=0.302 peak=924 ppm1=2.349 ppm2=8.395

assign ( resid 22 and name HD1#
  )
       ( resid 27 and name HN
  ) 4.7 0.9 0.9 volume=0.317 peak=925 ppm1=1.355 ppm2=7.179

assign ( resid 84 and name HA
  )
       ( resid 84 and name HB2
  or resid 84 and name HB3
  ) 3.9 0.8 0.8 volume=0.327 peak=926 ppm1=4.457 ppm2=2.667

assign ( resid 56 and name HA
  )
       ( resid 21 and name HD2#
  ) 4.8 1.0 1.0 volume=0.279 peak=927 ppm1=4.280 ppm2=0.720

assign ( resid 59 and name HD1#
  )
       ( resid 88 and name HA
  ) 4.7 0.9 0.9 volume=0.310 peak=928 ppm1=0.575 ppm2=4.042

assign ( resid 45 and name HG1#
  )
       ( resid 19 and name HA
  ) 4.5 0.9 0.9 volume=0.375 peak=929 ppm1=0.638 ppm2=4.996

assign ( resid 12 and name HD1#
  )
       ( resid 10 and name HA
  ) 4.7 0.9 0.9 volume=0.285 peak=930 ppm1=0.617 ppm2=4.921

assign ( resid 90 and name HD1#
  )
       ( resid 11 and name HB2
  ) 4.3 0.9 0.9 volume=0.499 peak=931 ppm1=0.741 ppm2=2.868

assign ( resid 45 and name HG1#
  )
       ( resid 11 and name HB3
  or resid 49 and name HB2
  or resid 86 and name HB3
  ) 4.5 0.9 0.9 volume=0.381 peak=932 ppm1=0.637 ppm2=2.754

assign ( resid 12 and name HD1#
  )
       ( resid 10 and name HG3
  ) 4.4 0.9 0.9 volume=0.447 peak=933 ppm1=0.618 ppm2=2.550

assign ( resid 59 and name HD1#
  )
       ( resid 20 and name HN
  ) 4.7 0.9 0.9 volume=0.298 peak=934 ppm1=0.575 ppm2=7.986

assign ( resid 62 and name HN
  or resid 88 and name HN
  )
       ( resid 59 and name HD1#
  ) 4.8 1.0 1.0 volume=0.261 peak=935 ppm1=7.798 ppm2=0.580

assign ( resid 43 and name HG1#
  )
       ( resid 72 and name HD#
  ) 5.4 1.1 1.1 volume=0.259 peak=936 ppm1=0.448 ppm2=6.974

assign ( resid 26 and name HB2
  )
       ( resid 22 and name HD2#
  ) 4.3 0.9 0.9 volume=0.536 peak=937 ppm1=3.267 ppm2=1.031

assign ( resid 63 and name HD2#
  )
       ( resid 63 and name HA
  ) 2.9 0.6 0.6 volume=5.394 peak=938 ppm1=0.887 ppm2=4.464

assign ( resid 43 and name HG2#
  )
       ( resid 31 and name HD3
  ) 4.8 1.0 1.0 volume=0.248 peak=939 ppm1=-0.113 ppm2=3.943

assign ( resid 23 and name HB3
  or resid 66 and name HA2
  )
       ( resid 21 and name HD2#
  ) 4.6 0.9 0.9 volume=0.330 peak=940 ppm1=3.465 ppm2=0.720

assign ( resid 21 and name HD2#
  )
       ( resid 23 and name HB3
  or resid 66 and name HA2
  ) 4.6 0.9 0.9 volume=0.333 peak=941 ppm1=0.726 ppm2=3.464

assign ( resid 13 and name HE2
  )
       ( resid 13 and name HD3
  ) 3.2 0.6 0.6 volume=0.933 peak=942 ppm1=3.174 ppm2=1.804

assign ( resid 22 and name HD2#
  )
       ( resid 22 and name HD1#
  ) 3.6 0.7 0.7 volume=4.561 peak=943 ppm1=1.034 ppm2=1.355

assign ( resid 22 and name HD1#
  )
       ( resid 60 and name HD1#
  ) 4.4 0.9 0.9 volume=1.405 peak=944 ppm1=1.357 ppm2=0.777

assign ( resid 42 and name HG3
  )
       ( resid 42 and name HG2
  ) 3.1 0.6 0.6 volume=1.261 peak=945 ppm1=0.775 ppm2=1.138

assign ( resid 59 and name HG2#
  )
       ( resid 59 and name HA
  ) 3.6 0.7 0.7 volume=1.586 peak=946 ppm1=1.070 ppm2=4.337

assign ( resid 13 and name HG2
  or resid 15 and name HB3
  )
       ( resid 46 and name HA
  ) 3.9 0.8 0.8 volume=0.318 peak=947 ppm1=1.856 ppm2=4.950

assign ( resid 10 and name HB3
  )
       ( resid 10 and name HA
  ) 3.6 0.7 0.7 volume=0.518 peak=948 ppm1=1.806 ppm2=4.924

assign ( resid 87 and name HG3
  )
       ( resid 87 and name HA
  ) 4.0 0.8 0.8 volume=0.271 peak=949 ppm1=1.402 ppm2=5.095

assign ( resid 65 and name HG1#
  )
       ( resid 65 and name HB
  ) 3.2 0.6 0.6 volume=2.756 peak=950 ppm1=1.041 ppm2=1.993

assign ( resid 59 and name HG2#
  )
       ( resid 59 and name HB
  ) 3.5 0.7 0.7 volume=1.794 peak=951 ppm1=1.070 ppm2=1.950

assign ( resid 13 and name HD2
  )
       ( resid 13 and name HE2
  ) 3.5 0.7 0.7 volume=0.538 peak=952 ppm1=1.938 ppm2=3.173

assign ( resid 13 and name HD2
  )
       ( resid 13 and name HE3
  ) 3.6 0.7 0.7 volume=0.535 peak=953 ppm1=1.937 ppm2=3.063

assign ( resid 73 and name HN
  )
       ( resid 72 and name HB2
  ) 4.0 0.8 0.8 volume=0.265 peak=954 ppm1=9.569 ppm2=2.605

assign ( resid 86 and name HB2
  )
       ( resid 86 and name HA
  ) 3.6 0.7 0.7 volume=0.459 peak=955 ppm1=3.132 ppm2=4.360

assign ( resid 30 and name HB3
  )
       ( resid 30 and name HB2
  ) 3.2 0.6 0.6 volume=1.060 peak=956 ppm1=3.171 ppm2=3.478

assign ( resid 6 and name HB3
  )
       ( resid 6 and name HB2
  ) 2.5 0.5 0.5 volume=4.279 peak=957 ppm1=2.974 ppm2=3.230

assign ( resid 82 and name HA
  )
       ( resid 83 and name HN
  ) 3.7 0.7 0.7 volume=0.388 peak=958 ppm1=3.225 ppm2=7.195

assign ( resid 27 and name HB3
  )
       ( resid 27 and name HN
  ) 3.0 0.6 0.6 volume=1.472 peak=959 ppm1=2.503 ppm2=7.180

assign ( resid 18 and name HB3
  )
       ( resid 19 and name HN
  ) 3.8 0.8 0.8 volume=0.368 peak=960 ppm1=1.991 ppm2=8.124

assign ( resid 18 and name HB3
  )
       ( resid 18 and name HN
  ) 3.4 0.7 0.7 volume=0.754 peak=961 ppm1=1.980 ppm2=8.637

assign ( resid 88 and name HG3
  )
       ( resid 88 and name HN
  ) 4.0 0.8 0.8 volume=0.260 peak=962 ppm1=1.465 ppm2=7.799

assign ( resid 38 and name HG2
  or resid 38 and name HG3
  )
       ( resid 39 and name HD2
  or resid 39 and name HD3
  ) 3.6 0.7 0.7 volume=0.506 peak=963 ppm1=1.684 ppm2=3.651

assign ( resid 51 and name HN
  )
       ( resid 47 and name HG3
  or resid 47 and name HG2
  ) 3.8 0.8 0.8 volume=0.354 peak=964 ppm1=7.365 ppm2=2.341

assign ( resid 16 and name HN
  )
       ( resid 46 and name HB2
  ) 4.0 0.8 0.8 volume=0.260 peak=965 ppm1=8.258 ppm2=3.222

assign ( resid 16 and name HN
  )
       ( resid 46 and name HB3
  ) 3.8 0.8 0.8 volume=0.384 peak=966 ppm1=8.258 ppm2=2.414

assign ( resid 65 and name HB
  )
       ( resid 64 and name HA
  ) 3.8 0.8 0.8 volume=0.359 peak=967 ppm1=1.994 ppm2=5.048

assign ( resid 71 and name HB2
  )
       ( resid 71 and name HA
  ) 3.9 0.8 0.8 volume=0.321 peak=968 ppm1=2.860 ppm2=5.005

assign ( resid 44 and name HB2
  )
       ( resid 44 and name HA
  ) 3.6 0.7 0.7 volume=0.470 peak=969 ppm1=1.930 ppm2=5.140

assign ( resid 43 and name HG1#
  )
       ( resid 71 and name HA
  ) 5.1 1.0 1.0 volume=0.190 peak=970 ppm1=0.453 ppm2=5.003

assign ( resid 15 and name HB2
  )
       ( resid 46 and name HA
  ) 3.7 0.7 0.7 volume=0.439 peak=971 ppm1=1.978 ppm2=4.940

assign ( resid 41 and name HB2
  )
       ( resid 72 and name HD#
  ) 4.2 0.8 0.8 volume=0.365 peak=972 ppm1=1.935 ppm2=6.974

assign ( resid 32 and name HB
  )
       ( resid 32 and name HN
  ) 3.7 0.7 0.7 volume=0.451 peak=973 ppm1=3.129 ppm2=8.617

assign ( resid 47 and name HA
  )
       ( resid 47 and name HN
  ) 3.8 0.8 0.8 volume=0.368 peak=974 ppm1=4.063 ppm2=8.809

assign ( resid 45 and name HG1#
  )
       ( resid 18 and name HG3
  ) 4.4 0.9 0.9 volume=0.457 peak=975 ppm1=0.636 ppm2=2.367

assign ( resid 43 and name HG2#
  )
       ( resid 71 and name HD#
  ) 5.4 1.1 1.1 volume=0.257 peak=976 ppm1=-0.117 ppm2=6.927

assign ( resid 8 and name HD2#
  )
       ( resid 91 and name HD22
  ) 4.5 0.9 0.9 volume=0.372 peak=977 ppm1=0.835 ppm2=6.971

assign ( resid 59 and name HN
  or resid 90 and name HN
  )
       ( resid 9 and name HN
  or resid 58 and name HN
  ) 3.8 0.8 0.8 volume=0.371 peak=978 ppm1=8.884 ppm2=8.552

assign ( resid 31 and name HG2
  )
       ( resid 31 and name HD3
  ) 3.7 0.7 0.7 volume=0.388 peak=979 ppm1=1.716 ppm2=3.935

assign ( resid 89 and name HN
  )
       ( resid 90 and name HN
  ) 3.7 0.7 0.7 volume=0.399 peak=980 ppm1=8.769 ppm2=8.893

assign ( resid 26 and name HB2
  )
       ( resid 60 and name HG2#
  ) 4.6 0.9 0.9 volume=0.327 peak=981 ppm1=3.278 ppm2=0.890

assign ( resid 26 and name HA
  )
       ( resid 26 and name HN
  ) 4.1 0.8 0.8 volume=0.236 peak=982 ppm1=4.070 ppm2=8.291

assign ( resid 91 and name HD21
  )
       ( resid 91 and name HB2
  ) 3.6 0.7 0.7 volume=0.492 peak=983 ppm1=7.569 ppm2=2.698

assign ( resid 91 and name HB2
  )
       ( resid 91 and name HD21
  ) 3.8 0.8 0.8 volume=0.339 peak=984 ppm1=2.769 ppm2=7.562

assign ( resid 91 and name HB3
  )
       ( resid 91 and name HD21
  ) 4.0 0.8 0.8 volume=0.282 peak=985 ppm1=2.702 ppm2=7.563

assign ( resid 91 and name HB2
  )
       ( resid 91 and name HN
  ) 4.0 0.8 0.8 volume=0.258 peak=986 ppm1=2.770 ppm2=8.238

assign ( resid 91 and name HD22
  )
       ( resid 91 and name HB2
  ) 3.9 0.8 0.8 volume=0.300 peak=987 ppm1=6.965 ppm2=2.777

assign ( resid 59 and name HD1#
  )
       ( resid 87 and name HG2
  ) 4.3 0.9 0.9 volume=0.526 peak=988 ppm1=0.580 ppm2=1.994

assign ( resid 59 and name HD1#
  )
       ( resid 31 and name HB2
  ) 4.4 0.9 0.9 volume=0.462 peak=989 ppm1=0.580 ppm2=2.145

assign ( resid 11 and name HB3
  or resid 49 and name HB2
  or resid 86 and name HB3
  )
       ( resid 45 and name HG1#
  ) 4.3 0.9 0.9 volume=0.505 peak=990 ppm1=2.744 ppm2=0.633

assign ( resid 49 and name HB2
  )
       ( resid 45 and name HG1#
  ) 4.4 0.9 0.9 volume=0.421 peak=991 ppm1=2.769 ppm2=0.633

assign ( resid 107 and name HA
  )
       ( resid 107 and name HN
  ) 2.7 0.5 0.5 volume=2.727 peak=992 ppm1=4.043 ppm2=7.749

assign ( resid 25 and name HN
  )
       ( resid 26 and name HN
  ) 2.8 0.6 0.6 volume=2.042 peak=993 ppm1=8.400 ppm2=8.295

assign ( resid 26 and name HN
  )
       ( resid 25 and name HN
  ) 2.8 0.6 0.6 volume=2.198 peak=994 ppm1=8.294 ppm2=8.400

assign ( resid 94 and name HA
  )
       ( resid 94 and name HB3
  ) 3.7 0.7 0.7 volume=0.409 peak=995 ppm1=4.410 ppm2=3.896

assign ( resid 94 and name HA
  )
       ( resid 94 and name HB2
  ) 3.8 0.8 0.8 volume=0.362 peak=996 ppm1=4.413 ppm2=3.841

assign ( resid 1 and name HA
  )
       ( resid 1 and name HB3
  ) 3.7 0.7 0.7 volume=0.401 peak=997 ppm1=4.472 ppm2=3.909

assign ( resid 1 and name HA
  )
       ( resid 1 and name HB2
  ) 3.4 0.7 0.7 volume=0.722 peak=998 ppm1=4.472 ppm2=3.866

assign ( resid 2 and name HA
  )
       ( resid 2 and name HB2
  ) 3.5 0.7 0.7 volume=0.615 peak=999 ppm1=4.542 ppm2=3.930

assign ( resid 2 and name HA
  )
       ( resid 2 and name HB3
  ) 4.5 0.9 0.9 volume=0.132 peak=1000 ppm1=4.542 ppm2=3.875

assign ( resid 2 and name HB3
  )
       ( resid 2 and name HA
  ) 3.8 0.8 0.8 volume=0.378 peak=1001 ppm1=3.869 ppm2=4.549

assign ( resid 21 and name HN
  )
       ( resid 21 and name HB3
  or resid 59 and name HG2#
  ) 3.3 0.7 0.7 volume=1.290 peak=1002 ppm1=8.501 ppm2=1.069

assign ( resid 88 and name HN
  )
       ( resid 45 and name HG2#
  ) 4.5 0.9 0.9 volume=0.369 peak=1003 ppm1=7.798 ppm2=0.795

assign ( resid 20 and name HA2
  )
       ( resid 45 and name HG2#
  ) 4.7 0.9 0.9 volume=0.312 peak=1004 ppm1=4.244 ppm2=0.786

assign ( resid 24 and name HA
  )
       ( resid 27 and name HB2
  ) 3.8 0.8 0.8 volume=0.379 peak=1005 ppm1=4.121 ppm2=2.937

assign ( resid 24 and name HA
  )
       ( resid 24 and name HG3
  ) 4.0 0.8 0.8 volume=0.254 peak=1006 ppm1=4.122 ppm2=2.337

assign ( resid 65 and name HN
  )
       ( resid 64 and name HN
  ) 4.2 0.8 0.8 volume=0.192 peak=1007 ppm1=8.600 ppm2=6.913

assign ( resid 40 and name HB2
  )
       ( resid 74 and name HA
  ) 3.6 0.7 0.7 volume=0.483 peak=1008 ppm1=2.038 ppm2=3.799

assign ( resid 74 and name HA
  )
       ( resid 40 and name HB2
  ) 3.5 0.7 0.7 volume=0.564 peak=1009 ppm1=3.798 ppm2=2.032

assign ( resid 74 and name HA
  )
       ( resid 77 and name HB2
  or resid 77 and name HB3
  ) 3.7 0.7 0.7 volume=0.390 peak=1010 ppm1=3.797 ppm2=2.645

assign ( resid 42 and name HE2
  )
       ( resid 71 and name HE#
  ) 4.1 0.8 0.8 volume=0.466 peak=1011 ppm1=2.994 ppm2=7.279

assign ( resid 42 and name HE3
  )
       ( resid 71 and name HE#
  ) 4.4 0.9 0.9 volume=0.306 peak=1012 ppm1=2.865 ppm2=7.280

assign ( resid 71 and name HB2
  )
       ( resid 71 and name HE#
  ) 4.3 0.9 0.9 volume=0.341 peak=1013 ppm1=2.844 ppm2=7.278

assign ( resid 71 and name HE#
  )
       ( resid 71 and name HB3
  ) 4.5 0.9 0.9 volume=0.262 peak=1014 ppm1=7.277 ppm2=2.621

assign ( resid 72 and name HE#
  )
       ( resid 72 and name HD#
  ) 3.0 0.6 0.6 volume=5.522 peak=1015 ppm1=6.889 ppm2=6.971

assign ( resid 72 and name HD#
  )
       ( resid 72 and name HE#
  ) 3.1 0.6 0.6 volume=4.603 peak=1016 ppm1=6.973 ppm2=6.888

assign ( resid 82 and name HB2
  )
       ( resid 72 and name HE#
  ) 4.3 0.9 0.9 volume=0.323 peak=1017 ppm1=1.869 ppm2=6.890

assign ( resid 82 and name HA
  )
       ( resid 72 and name HD#
  ) 4.2 0.8 0.8 volume=0.386 peak=1018 ppm1=3.230 ppm2=6.973

assign ( resid 86 and name HN
  )
       ( resid 15 and name HG3
  ) 3.9 0.8 0.8 volume=0.317 peak=1019 ppm1=8.830 ppm2=1.625

assign ( resid 86 and name HN
  )
       ( resid 15 and name HA
  ) 4.0 0.8 0.8 volume=0.259 peak=1020 ppm1=8.833 ppm2=3.695

assign ( resid 45 and name HG1#
  )
       ( resid 88 and name HG2
  ) 4.5 0.9 0.9 volume=0.409 peak=1021 ppm1=0.632 ppm2=1.948

assign ( resid 45 and name HG2#
  )
       ( resid 49 and name HB3
  ) 4.6 0.9 0.9 volume=0.355 peak=1022 ppm1=0.796 ppm2=2.995

assign ( resid 45 and name HG2#
  )
       ( resid 11 and name HB3
  or resid 49 and name HB2
  or resid 86 and name HB3
  ) 4.6 0.9 0.9 volume=0.327 peak=1023 ppm1=0.793 ppm2=2.743

assign ( resid 45 and name HG1#
  )
       ( resid 20 and name HA1
  ) 4.9 1.0 1.0 volume=0.226 peak=1024 ppm1=0.634 ppm2=2.924

assign ( resid 60 and name HD1#
  )
       ( resid 26 and name HB3
  ) 4.5 0.9 0.9 volume=0.387 peak=1025 ppm1=0.778 ppm2=2.841

assign ( resid 47 and name HN
  )
       ( resid 15 and name HB2
  ) 4.1 0.8 0.8 volume=0.225 peak=1026 ppm1=8.808 ppm2=1.979

assign ( resid 47 and name HN
  )
       ( resid 15 and name HB3
  ) 4.1 0.8 0.8 volume=0.236 peak=1027 ppm1=8.807 ppm2=1.862

assign ( resid 12 and name HN
  )
       ( resid 10 and name HG3
  ) 4.1 0.8 0.8 volume=0.231 peak=1028 ppm1=9.519 ppm2=2.552

assign ( resid 12 and name HN
  )
       ( resid 86 and name HA
  ) 4.2 0.8 0.8 volume=0.199 peak=1029 ppm1=9.526 ppm2=4.355

assign ( resid 70 and name HN
  )
       ( resid 69 and name HB2
  ) 3.8 0.8 0.8 volume=0.384 peak=1030 ppm1=8.244 ppm2=2.437

assign ( resid 10 and name HG3
  )
       ( resid 87 and name HA
  ) 3.9 0.8 0.8 volume=0.306 peak=1031 ppm1=2.547 ppm2=5.095

assign ( resid 37 and name HG1#
  )
       ( resid 73 and name HB3
  or resid 74 and name HB3
  ) 4.4 0.9 0.9 volume=0.456 peak=1032 ppm1=1.248 ppm2=3.368

assign ( resid 12 and name HN
  )
       ( resid 10 and name HB3
  ) 4.1 0.8 0.8 volume=0.212 peak=1033 ppm1=9.513 ppm2=1.799

assign ( resid 12 and name HN
  )
       ( resid 10 and name HB2
  ) 4.2 0.8 0.8 volume=0.210 peak=1034 ppm1=9.517 ppm2=1.957

assign ( resid 51 and name HD#
  )
       ( resid 50 and name HB3
  or resid 52 and name HA1
  ) 4.2 0.8 0.8 volume=0.376 peak=1035 ppm1=7.333 ppm2=3.883

assign ( resid 47 and name HN
  )
       ( resid 16 and name HN
  ) 4.1 0.8 0.8 volume=0.234 peak=1036 ppm1=8.812 ppm2=8.259

assign ( resid 46 and name HN
  )
       ( resid 86 and name HA
  ) 4.2 0.8 0.8 volume=0.196 peak=1037 ppm1=9.756 ppm2=4.357

assign ( resid 73 and name HB3
  )
       ( resid 30 and name HB3
  or resid 76 and name HB2
  ) 3.7 0.7 0.7 volume=0.410 peak=1038 ppm1=3.406 ppm2=3.172

assign ( resid 12 and name HN
  )
       ( resid 13 and name HB3
  or resid 13 and name HG2
  ) 4.0 0.8 0.8 volume=0.248 peak=1039 ppm1=9.514 ppm2=1.861

assign ( resid 45 and name HA
  )
       ( resid 46 and name HN
  ) 3.9 0.8 0.8 volume=0.313 peak=1040 ppm1=5.258 ppm2=9.755

assign ( resid 57 and name HB3
  )
       ( resid 57 and name HD22
  ) 4.0 0.8 0.8 volume=0.257 peak=1041 ppm1=2.481 ppm2=6.628

assign ( resid 57 and name HB2
  )
       ( resid 57 and name HD22
  ) 4.0 0.8 0.8 volume=0.280 peak=1042 ppm1=2.865 ppm2=6.632

assign ( resid 11 and name HN
  )
       ( resid 12 and name HD1#
  ) 4.9 1.0 1.0 volume=0.236 peak=1043 ppm1=8.758 ppm2=0.621

assign ( resid 13 and name HN
  )
       ( resid 12 and name HD1#
  ) 4.8 1.0 1.0 volume=0.257 peak=1044 ppm1=8.544 ppm2=0.617

assign ( resid 12 and name HA
  )
       ( resid 12 and name HD2#
  ) 4.4 0.9 0.9 volume=0.425 peak=1045 ppm1=3.739 ppm2=0.878

assign ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 100 and name HB3
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  )
       ( resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 100 and name HE1
  ) 3.3 0.7 0.7 volume=0.838 peak=1046 ppm1=2.999 ppm2=7.845

assign ( resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 100 and name HB3
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.3 0.7 0.7 volume=0.820 peak=1047 ppm1=7.843 ppm2=2.999

assign ( resid 14 and name HE22
  or resid 72 and name HD#
  or resid 91 and name HD22
  or resid 100 and name HD2
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 100 and name HB3
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.2 0.6 0.6 volume=1.225 peak=1048 ppm1=6.962 ppm2=2.998

assign ( resid 4 and name HB3
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 69 and name HA
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 2.8 0.6 0.6 volume=2.029 peak=1049 ppm1=3.004 ppm2=4.547

assign ( resid 36 and name HD#
  )
       ( resid 36 and name HN
  ) 3.6 0.7 0.7 volume=0.991 peak=1050 ppm1=7.148 ppm2=8.723

assign ( resid 72 and name HD#
  or resid 91 and name HD22
  or resid 100 and name HD2
  )
       ( resid 72 and name HN
  ) 3.5 0.7 0.7 volume=0.727 peak=1051 ppm1=6.975 ppm2=9.337

assign ( resid 72 and name HN
  )
       ( resid 4 and name HD2
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 72 and name HE#
  or resid 95 and name HD21
  ) 4.4 0.9 0.9 volume=0.190 peak=1052 ppm1=9.335 ppm2=6.893

assign ( resid 6 and name HB2
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 82 and name HA
  )
       ( resid 6 and name HA
  or resid 62 and name HA
  or resid 95 and name HA
  ) 3.1 0.6 0.6 volume=1.129 peak=1053 ppm1=3.223 ppm2=4.690

assign ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 42 and name HE2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 68 and name HB3
  or resid 72 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 100 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  )
       ( resid 6 and name HA
  or resid 62 and name HA
  or resid 95 and name HA
  ) 3.2 0.6 0.6 volume=1.063 peak=1054 ppm1=2.980 ppm2=4.689

assign ( resid 50 and name HN
  or resid 56 and name HN
  )
       ( resid 6 and name HE#
  or resid 51 and name HN
  or resid 51 and name HD#
  or resid 55 and name HN
  or resid 71 and name HZ
  or resid 101 and name HE#
  ) 3.4 0.7 0.7 volume=0.971 peak=1055 ppm1=7.855 ppm2=7.340

assign ( resid 51 and name HN
  or resid 55 and name HN
  )
       ( resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 100 and name HE1
  ) 3.3 0.7 0.7 volume=0.877 peak=1056 ppm1=7.338 ppm2=7.856

assign ( resid 7 and name HB3
  or resid 23 and name HB2
  or resid 40 and name HE2
  or resid 71 and name HB3
  or resid 72 and name HB2
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  ) 3.0 0.6 0.6 volume=1.355 peak=1057 ppm1=2.614 ppm2=2.846

assign ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  )
       ( resid 7 and name HB3
  or resid 7 and name HB2
  or resid 23 and name HB2
  or resid 40 and name HE2
  or resid 71 and name HB3
  or resid 72 and name HB2
  or resid 98 and name HB2
  ) 3.0 0.6 0.6 volume=1.381 peak=1058 ppm1=2.848 ppm2=2.612

assign ( resid 71 and name HN
  )
       ( resid 14 and name HE22
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 95 and name HD21
  ) 3.3 0.7 0.7 volume=0.915 peak=1059 ppm1=8.878 ppm2=6.930

assign ( resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.1 0.6 0.6 volume=1.293 peak=1060 ppm1=3.126 ppm2=4.545

assign ( resid 4 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 69 and name HA
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 2.9 0.6 0.6 volume=1.875 peak=1061 ppm1=3.018 ppm2=4.548

assign ( resid 4 and name HB3
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  )
       ( resid 51 and name HN
  or resid 62 and name HD21
  or resid 101 and name HE#
  ) 3.3 0.7 0.7 volume=1.071 peak=1062 ppm1=3.005 ppm2=7.367

assign ( resid 4 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 78 and name HD3
  or resid 100 and name HB2
  or resid 101 and name HB3
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.0 0.6 0.6 volume=1.555 peak=1063 ppm1=3.036 ppm2=4.546

assign ( resid 14 and name HE22
  or resid 72 and name HD#
  or resid 91 and name HD22
  or resid 100 and name HD2
  )
       ( resid 4 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.7 0.7 0.7 volume=0.495 peak=1064 ppm1=6.960 ppm2=3.032

assign ( resid 5 and name HE21
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 60 and name HB
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 3.3 0.7 0.7 volume=0.830 peak=1065 ppm1=7.485 ppm2=2.110

assign ( resid 5 and name HE22
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 60 and name HB
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 3.7 0.7 0.7 volume=0.463 peak=1066 ppm1=6.821 ppm2=2.109

assign ( resid 5 and name HA
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  )
       ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 3.6 0.7 0.7 volume=0.468 peak=1067 ppm1=4.210 ppm2=1.912

assign ( resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 58 and name HA
  or resid 81 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 106 and name HB2
  ) 4.0 0.8 0.8 volume=0.272 peak=1068 ppm1=4.207 ppm2=1.869

assign ( resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 58 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 60 and name HB
  or resid 78 and name HB3
  or resid 81 and name HB2
  ) 3.7 0.7 0.7 volume=0.416 peak=1069 ppm1=4.209 ppm2=2.112

assign ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 2.9 0.6 0.6 volume=1.898 peak=1070 ppm1=8.380 ppm2=2.126

assign ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 2.9 0.6 0.6 volume=1.853 peak=1071 ppm1=8.380 ppm2=1.972

assign ( resid 18 and name HN
  )
       ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG2
  ) 3.5 0.7 0.7 volume=0.547 peak=1072 ppm1=8.624 ppm2=2.358

assign ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG2
  )
       ( resid 18 and name HN
  ) 3.7 0.7 0.7 volume=0.404 peak=1073 ppm1=2.367 ppm2=8.624

assign ( resid 25 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.1 0.6 0.6 volume=1.269 peak=1074 ppm1=8.392 ppm2=3.006

assign ( resid 25 and name HN
  or resid 48 and name HN
  )
       ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 3.3 0.7 0.7 volume=0.794 peak=1075 ppm1=8.391 ppm2=2.870

assign ( resid 25 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  ) 3.0 0.6 0.6 volume=1.524 peak=1076 ppm1=8.398 ppm2=4.464

assign ( resid 57 and name HD21
  )
       ( resid 27 and name HB3
  or resid 33 and name HB3
  or resid 57 and name HB3
  ) 3.2 0.6 0.6 volume=0.964 peak=1077 ppm1=7.194 ppm2=2.493

assign ( resid 27 and name HN
  or resid 57 and name HD21
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  ) 3.4 0.7 0.7 volume=0.700 peak=1078 ppm1=7.197 ppm2=2.854

assign ( resid 41 and name HN
  or resid 57 and name HN
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  ) 3.3 0.7 0.7 volume=0.826 peak=1079 ppm1=7.651 ppm2=2.848

assign ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  )
       ( resid 27 and name HN
  or resid 57 and name HD21
  or resid 83 and name HN
  ) 3.5 0.7 0.7 volume=0.579 peak=1080 ppm1=2.858 ppm2=7.196

assign ( resid 27 and name HB3
  or resid 33 and name HB3
  or resid 57 and name HB3
  )
       ( resid 27 and name HN
  or resid 57 and name HD21
  or resid 83 and name HN
  ) 3.0 0.6 0.6 volume=1.472 peak=1081 ppm1=2.487 ppm2=7.194

assign ( resid 29 and name HE3
  or resid 64 and name HB3
  or resid 95 and name HB3
  )
       ( resid 8 and name HN
  or resid 28 and name HN
  or resid 52 and name HN
  or resid 64 and name HD21
  ) 4.2 0.8 0.8 volume=0.204 peak=1082 ppm1=2.793 ppm2=7.944

assign ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  )
       ( resid 4 and name HD2
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 72 and name HE#
  or resid 95 and name HD21
  ) 3.6 0.7 0.7 volume=0.622 peak=1083 ppm1=2.870 ppm2=6.904

assign ( resid 29 and name HE3
  or resid 64 and name HB3
  or resid 95 and name HB3
  )
       ( resid 14 and name HE22
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 72 and name HE#
  or resid 95 and name HD21
  ) 3.6 0.7 0.7 volume=0.637 peak=1084 ppm1=2.796 ppm2=6.912

assign ( resid 64 and name HD21
  )
       ( resid 48 and name HD22
  or resid 64 and name HD22
  ) 3.0 0.6 0.6 volume=1.385 peak=1085 ppm1=7.945 ppm2=7.093

assign ( resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 72 and name HE#
  or resid 95 and name HD21
  )
       ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 3.5 0.7 0.7 volume=0.779 peak=1086 ppm1=6.907 ppm2=2.868

assign ( resid 64 and name HN
  or resid 95 and name HD21
  )
       ( resid 29 and name HE3
  or resid 64 and name HB3
  or resid 95 and name HB2
  or resid 95 and name HB3
  ) 3.3 0.7 0.7 volume=0.783 peak=1087 ppm1=6.907 ppm2=2.799

assign ( resid 4 and name HB2
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  )
       ( resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 91 and name HB3
  or resid 98 and name HB3
  ) 3.0 0.6 0.6 volume=1.501 peak=1088 ppm1=2.954 ppm2=2.676

assign ( resid 4 and name HB2
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  )
       ( resid 18 and name HE21
  or resid 68 and name HD21
  or resid 107 and name HN
  ) 3.9 0.8 0.8 volume=0.325 peak=1089 ppm1=2.955 ppm2=7.751

assign ( resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 91 and name HB3
  or resid 98 and name HB3
  )
       ( resid 18 and name HE21
  or resid 68 and name HD21
  or resid 80 and name HN
  or resid 107 and name HN
  ) 3.5 0.7 0.7 volume=0.601 peak=1090 ppm1=2.677 ppm2=7.749

assign ( resid 45 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 75 and name HN
  )
       ( resid 18 and name HE21
  or resid 68 and name HD21
  or resid 80 and name HN
  or resid 107 and name HN
  ) 4.0 0.8 0.8 volume=0.247 peak=1091 ppm1=8.168 ppm2=7.749

assign ( resid 68 and name HD21
  )
       ( resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 91 and name HB3
  or resid 98 and name HB3
  ) 3.3 0.7 0.7 volume=0.873 peak=1092 ppm1=7.751 ppm2=2.674

assign ( resid 68 and name HD21
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  ) 3.6 0.7 0.7 volume=0.524 peak=1093 ppm1=7.749 ppm2=2.955

assign ( resid 68 and name HN
  )
       ( resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 91 and name HB3
  or resid 98 and name HB3
  ) 3.2 0.6 0.6 volume=0.982 peak=1094 ppm1=8.166 ppm2=2.680

assign ( resid 6 and name HN
  or resid 68 and name HN
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  ) 3.5 0.7 0.7 volume=0.620 peak=1095 ppm1=8.166 ppm2=2.959

assign ( resid 68 and name HD22
  )
       ( resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 91 and name HB3
  or resid 98 and name HB3
  ) 3.6 0.7 0.7 volume=0.515 peak=1096 ppm1=7.000 ppm2=2.677

assign ( resid 68 and name HD22
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  ) 3.8 0.8 0.8 volume=0.365 peak=1097 ppm1=6.999 ppm2=2.955

assign ( resid 91 and name HD22
  )
       ( resid 74 and name HZ2
  or resid 84 and name HN
  or resid 91 and name HD21
  ) 2.7 0.5 0.5 volume=2.543 peak=1098 ppm1=6.964 ppm2=7.569

assign ( resid 44 and name HN
  or resid 88 and name HE
  or resid 95 and name HD22
  )
       ( resid 14 and name HE22
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 95 and name HD21
  ) 3.3 0.7 0.7 volume=1.042 peak=1099 ppm1=7.601 ppm2=6.921

assign ( resid 95 and name HD21
  )
       ( resid 44 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  or resid 91 and name HD21
  or resid 95 and name HD22
  ) 3.1 0.6 0.6 volume=1.295 peak=1100 ppm1=6.915 ppm2=7.605

assign ( resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  or resid 107 and name HG1#
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 4.0 0.8 0.8 volume=0.765 peak=1101 ppm1=0.869 ppm2=8.896

assign ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.5 0.7 0.7 volume=1.186 peak=1102 ppm1=1.035 ppm2=8.886

assign ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 70 and name HB#
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.5 0.7 0.7 volume=1.057 peak=1103 ppm1=1.013 ppm2=8.881

assign ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.8 0.8 0.8 volume=1.104 peak=1104 ppm1=0.893 ppm2=8.888

assign ( resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.5 0.7 0.7 volume=1.000 peak=1105 ppm1=0.794 ppm2=8.137

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 65 and name HG2#
  or resid 79 and name HD1#
  or resid 89 and name HG2#
  )
       ( resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 102 and name HN
  or resid 104 and name HN
  ) 3.3 0.7 0.7 volume=2.576 peak=1106 ppm1=0.942 ppm2=8.226

assign ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.7 0.7 0.7 volume=1.237 peak=1107 ppm1=0.907 ppm2=8.161

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 65 and name HG2#
  or resid 79 and name HD1#
  or resid 89 and name HG2#
  )
       ( resid 32 and name HN
  ) 3.6 0.7 0.7 volume=1.419 peak=1108 ppm1=0.943 ppm2=8.621

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 81 and name HN
  ) 3.0 0.6 0.6 volume=1.344 peak=1109 ppm1=1.509 ppm2=8.440

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.3 0.7 0.7 volume=0.885 peak=1110 ppm1=1.510 ppm2=8.497

assign ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 59 and name HB
  or resid 83 and name HB2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  )
       ( resid 11 and name HN
  or resid 36 and name HN
  or resid 89 and name HN
  ) 3.4 0.7 0.7 volume=0.746 peak=1111 ppm1=1.966 ppm2=8.769

assign ( resid 89 and name HB
  )
       ( resid 11 and name HN
  or resid 89 and name HN
  ) 3.1 0.6 0.6 volume=1.209 peak=1112 ppm1=1.943 ppm2=8.771

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.3 0.7 0.7 volume=0.904 peak=1113 ppm1=1.579 ppm2=8.889

assign ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.4 0.7 0.7 volume=0.643 peak=1114 ppm1=1.491 ppm2=8.886

assign ( resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  )
       ( resid 46 and name HN
  ) 3.8 0.8 0.8 volume=0.604 peak=1115 ppm1=0.793 ppm2=9.751

assign ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  )
       ( resid 46 and name HN
  ) 3.2 0.6 0.6 volume=1.091 peak=1116 ppm1=2.418 ppm2=9.748

assign ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 76 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  )
       ( resid 76 and name HN
  ) 3.4 0.7 0.7 volume=0.752 peak=1117 ppm1=3.167 ppm2=9.431

assign ( resid 6 and name HB2
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 82 and name HA
  )
       ( resid 82 and name HN
  ) 3.4 0.7 0.7 volume=0.733 peak=1118 ppm1=3.227 ppm2=9.252

assign ( resid 37 and name HA
  or resid 65 and name HA
  )
       ( resid 66 and name HN
  ) 3.0 0.6 0.6 volume=1.424 peak=1119 ppm1=4.000 ppm2=9.068

assign ( resid 5 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.7 0.7 0.7 volume=0.439 peak=1120 ppm1=4.231 ppm2=8.885

assign ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.6 0.7 0.7 volume=0.458 peak=1121 ppm1=4.062 ppm2=8.386

assign ( resid 9 and name HA
  or resid 25 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 3 and name HN
  or resid 10 and name HN
  or resid 105 and name HN
  ) 3.4 0.7 0.7 volume=0.706 peak=1122 ppm1=4.312 ppm2=8.340

assign ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.4 0.7 0.7 volume=0.682 peak=1123 ppm1=4.375 ppm2=8.123

assign ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  ) 3.3 0.7 0.7 volume=0.847 peak=1124 ppm1=4.066 ppm2=8.014

assign ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 11 and name HA
  or resid 16 and name HA1
  or resid 78 and name HA
  or resid 94 and name HB2
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.6 0.7 0.7 volume=0.502 peak=1125 ppm1=3.824 ppm2=8.249

assign ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.3 0.7 0.7 volume=0.803 peak=1126 ppm1=3.469 ppm2=8.484

assign ( resid 66 and name HA2
  or resid 74 and name HB2
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.5 0.7 0.7 volume=0.610 peak=1127 ppm1=3.448 ppm2=8.486

assign ( resid 13 and name HE2
  or resid 30 and name HB3
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 76 and name HB2
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.5 0.7 0.7 volume=0.554 peak=1128 ppm1=3.196 ppm2=8.486

assign ( resid 32 and name HB
  or resid 44 and name HD3
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 101 and name HB2
  )
       ( resid 18 and name HN
  or resid 32 and name HN
  or resid 65 and name HN
  ) 3.4 0.7 0.7 volume=0.654 peak=1129 ppm1=3.110 ppm2=8.621

assign ( resid 20 and name HA1
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 83 and name HE3
  or resid 83 and name HE2
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.2 0.6 0.6 volume=0.974 peak=1130 ppm1=2.943 ppm2=8.494

assign ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.3 0.7 0.7 volume=0.910 peak=1131 ppm1=2.967 ppm2=8.487

assign ( resid 4 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.2 0.6 0.6 volume=1.017 peak=1132 ppm1=3.009 ppm2=8.396

assign ( resid 26 and name HB3
  or resid 57 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  )
       ( resid 7 and name HN
  or resid 16 and name HN
  or resid 26 and name HN
  or resid 98 and name HN
  or resid 105 and name HN
  ) 3.5 0.7 0.7 volume=0.604 peak=1133 ppm1=2.835 ppm2=8.292

assign ( resid 7 and name HB3
  or resid 23 and name HB2
  or resid 40 and name HE2
  or resid 71 and name HB3
  or resid 72 and name HB2
  )
       ( resid 24 and name HN
  or resid 40 and name HN
  ) 3.4 0.7 0.7 volume=0.710 peak=1134 ppm1=2.609 ppm2=9.005

assign ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 69 and name HB2
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.3 0.7 0.7 volume=0.789 peak=1135 ppm1=2.447 ppm2=8.490

assign ( resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  ) 3.4 0.7 0.7 volume=0.659 peak=1136 ppm1=3.126 ppm2=7.657

assign ( resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  ) 3.4 0.7 0.7 volume=0.716 peak=1137 ppm1=3.118 ppm2=7.653

assign ( resid 12 and name HB2
  or resid 40 and name HB2
  or resid 56 and name HB2
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  ) 3.5 0.7 0.7 volume=0.613 peak=1138 ppm1=2.029 ppm2=7.648

assign ( resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  )
       ( resid 33 and name HN
  or resid 41 and name HN
  or resid 44 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  or resid 95 and name HD22
  ) 3.6 0.7 0.7 volume=0.475 peak=1139 ppm1=2.084 ppm2=7.629

assign ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  )
       ( resid 28 and name HN
  or resid 52 and name HN
  ) 3.7 0.7 0.7 volume=0.428 peak=1140 ppm1=4.256 ppm2=7.917

assign ( resid 37 and name HA
  or resid 49 and name HA
  or resid 80 and name HA1
  or resid 93 and name HA2
  or resid 93 and name HA1
  )
       ( resid 18 and name HE21
  or resid 68 and name HD21
  or resid 80 and name HN
  ) 3.5 0.7 0.7 volume=0.570 peak=1141 ppm1=3.969 ppm2=7.718

assign ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  ) 3.5 0.7 0.7 volume=0.576 peak=1142 ppm1=3.485 ppm2=8.014

assign ( resid 15 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  )
       ( resid 44 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  or resid 91 and name HD21
  or resid 95 and name HD22
  ) 3.0 0.6 0.6 volume=1.495 peak=1143 ppm1=3.605 ppm2=7.603

assign ( resid 15 and name HD3
  or resid 43 and name HA
  )
       ( resid 4 and name HD2
  or resid 72 and name HE#
  ) 3.4 0.7 0.7 volume=0.910 peak=1144 ppm1=3.602 ppm2=6.887

assign ( resid 83 and name HN
  )
       ( resid 74 and name HZ2
  or resid 84 and name HN
  or resid 91 and name HD21
  ) 3.2 0.6 0.6 volume=0.935 peak=1145 ppm1=7.196 ppm2=7.559

assign ( resid 29 and name HN
  )
       ( resid 28 and name HN
  or resid 52 and name HN
  ) 3.4 0.7 0.7 volume=0.735 peak=1146 ppm1=7.531 ppm2=7.911

assign ( resid 57 and name HN
  )
       ( resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 100 and name HE1
  ) 3.4 0.7 0.7 volume=0.674 peak=1147 ppm1=7.652 ppm2=7.851

assign ( resid 84 and name HN
  )
       ( resid 4 and name HE1
  or resid 85 and name HN
  or resid 88 and name HN
  or resid 107 and name HN
  ) 3.3 0.7 0.7 volume=0.889 peak=1148 ppm1=7.558 ppm2=7.784

assign ( resid 79 and name HN
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  ) 3.2 0.6 0.6 volume=0.941 peak=1149 ppm1=7.627 ppm2=8.204

assign ( resid 62 and name HN
  )
       ( resid 6 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 75 and name HN
  ) 3.1 0.6 0.6 volume=1.153 peak=1150 ppm1=7.843 ppm2=8.176

assign ( resid 27 and name HN
  )
       ( resid 7 and name HN
  or resid 26 and name HN
  or resid 98 and name HN
  or resid 105 and name HN
  ) 2.9 0.6 0.6 volume=1.871 peak=1151 ppm1=7.181 ppm2=8.295

assign ( resid 33 and name HN
  )
       ( resid 18 and name HN
  or resid 32 and name HN
  or resid 65 and name HN
  ) 3.2 0.6 0.6 volume=0.938 peak=1152 ppm1=7.657 ppm2=8.619

assign ( resid 33 and name HN
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 3.1 0.6 0.6 volume=1.101 peak=1153 ppm1=7.656 ppm2=8.471

assign ( resid 80 and name HN
  )
       ( resid 81 and name HN
  ) 3.0 0.6 0.6 volume=1.547 peak=1154 ppm1=7.718 ppm2=8.440

assign ( resid 41 and name HN
  )
       ( resid 24 and name HN
  or resid 40 and name HN
  or resid 42 and name HN
  ) 3.3 0.7 0.7 volume=0.836 peak=1155 ppm1=7.648 ppm2=9.002

assign ( resid 61 and name HN
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.1 0.6 0.6 volume=1.245 peak=1156 ppm1=8.177 ppm2=8.891

assign ( resid 68 and name HN
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 2.9 0.6 0.6 volume=1.977 peak=1157 ppm1=8.163 ppm2=8.489

assign ( resid 14 and name HE22
  or resid 71 and name HD#
  or resid 95 and name HD21
  )
       ( resid 24 and name HN
  or resid 40 and name HN
  or resid 42 and name HN
  ) 3.6 0.7 0.7 volume=0.545 peak=1158 ppm1=6.931 ppm2=9.003

assign ( resid 67 and name HB
  )
       ( resid 43 and name HN
  or resid 45 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.3 0.7 0.7 volume=0.867 peak=1159 ppm1=2.170 ppm2=8.165

assign ( resid 17 and name HB
  or resid 75 and name HB3
  or resid 75 and name HB2
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 68 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.2 0.6 0.6 volume=0.952 peak=1160 ppm1=2.257 ppm2=8.144

assign ( resid 17 and name HB
  or resid 75 and name HB3
  or resid 75 and name HB2
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 68 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.2 0.6 0.6 volume=0.918 peak=1161 ppm1=2.280 ppm2=8.142

assign ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  )
       ( resid 33 and name HN
  or resid 41 and name HN
  or resid 44 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  or resid 95 and name HD22
  ) 3.0 0.6 0.6 volume=1.391 peak=1162 ppm1=1.754 ppm2=7.628

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 106 and name HB2
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.3 0.7 0.7 volume=0.851 peak=1163 ppm1=1.861 ppm2=8.549

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 106 and name HB2
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.2 0.6 0.6 volume=0.991 peak=1164 ppm1=1.859 ppm2=8.381

assign ( resid 10 and name HB3
  or resid 13 and name HD3
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 104 and name HB2
  or resid 105 and name HB3
  )
       ( resid 3 and name HN
  or resid 10 and name HN
  or resid 105 and name HN
  ) 3.4 0.7 0.7 volume=0.708 peak=1165 ppm1=1.801 ppm2=8.339

assign ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 103 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  )
       ( resid 3 and name HN
  or resid 10 and name HN
  or resid 105 and name HN
  ) 3.5 0.7 0.7 volume=0.626 peak=1166 ppm1=1.774 ppm2=8.343

assign ( resid 8 and name HG
  or resid 15 and name HG3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 92 and name HB2
  or resid 97 and name HG
  or resid 97 and name HB2
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  ) 3.4 0.7 0.7 volume=0.740 peak=1167 ppm1=1.623 ppm2=8.206

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 15 and name HG3
  or resid 25 and name HG2
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB2
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  ) 3.4 0.7 0.7 volume=0.753 peak=1168 ppm1=1.611 ppm2=8.204

assign ( resid 36 and name HN
  )
       ( resid 7 and name HA
  or resid 35 and name HA
  ) 2.9 0.6 0.6 volume=1.784 peak=1169 ppm1=8.721 ppm2=4.618

assign ( resid 71 and name HN
  )
       ( resid 2 and name HA
  or resid 34 and name HA
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 100 and name HA
  ) 2.9 0.6 0.6 volume=1.906 peak=1170 ppm1=8.877 ppm2=4.512

assign ( resid 59 and name HN
  or resid 60 and name HN
  or resid 90 and name HN
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 2.9 0.6 0.6 volume=1.730 peak=1171 ppm1=8.889 ppm2=4.363

assign ( resid 24 and name HN
  or resid 40 and name HN
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.0 0.6 0.6 volume=1.389 peak=1172 ppm1=9.003 ppm2=4.303

assign ( resid 9 and name HN
  or resid 58 and name HN
  )
       ( resid 4 and name HA
  or resid 7 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 2.9 0.6 0.6 volume=1.954 peak=1173 ppm1=8.546 ppm2=4.570

assign ( resid 69 and name HN
  )
       ( resid 2 and name HA
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.2 0.6 0.6 volume=0.921 peak=1174 ppm1=8.492 ppm2=4.522

assign ( resid 70 and name HN
  )
       ( resid 2 and name HA
  or resid 34 and name HA
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 2.7 0.5 0.5 volume=2.707 peak=1175 ppm1=8.243 ppm2=4.521

assign ( resid 34 and name HN
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 70 and name HA
  or resid 84 and name HA
  ) 2.7 0.5 0.5 volume=2.530 peak=1176 ppm1=8.472 ppm2=4.489

assign ( resid 78 and name HN
  )
       ( resid 18 and name HA
  or resid 28 and name HA1
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  ) 3.4 0.7 0.7 volume=0.733 peak=1177 ppm1=8.206 ppm2=4.408

assign ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 68 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  )
       ( resid 13 and name HA
  or resid 18 and name HA
  or resid 28 and name HA1
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  ) 3.4 0.7 0.7 volume=0.757 peak=1178 ppm1=8.144 ppm2=4.406

assign ( resid 67 and name HN
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  ) 3.4 0.7 0.7 volume=0.693 peak=1179 ppm1=8.489 ppm2=4.386

assign ( resid 68 and name HN
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  ) 3.3 0.7 0.7 volume=0.766 peak=1180 ppm1=8.163 ppm2=4.385

assign ( resid 18 and name HN
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.3 0.7 0.7 volume=0.863 peak=1181 ppm1=8.625 ppm2=4.370

assign ( resid 13 and name HN
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.3 0.7 0.7 volume=0.894 peak=1182 ppm1=8.547 ppm2=4.368

assign ( resid 14 and name HN
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 2.6 0.5 0.5 volume=3.379 peak=1183 ppm1=8.381 ppm2=4.373

assign ( resid 91 and name HN
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.3 0.7 0.7 volume=0.807 peak=1184 ppm1=8.245 ppm2=4.377

assign ( resid 9 and name HN
  or resid 58 and name HN
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.4 0.7 0.7 volume=0.756 peak=1185 ppm1=8.547 ppm2=4.313

assign ( resid 35 and name HN
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.3 0.7 0.7 volume=0.802 peak=1186 ppm1=8.383 ppm2=4.301

assign ( resid 3 and name HN
  or resid 10 and name HN
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 2.6 0.5 0.5 volume=3.251 peak=1187 ppm1=8.342 ppm2=4.309

assign ( resid 25 and name HN
  )
       ( resid 3 and name HA
  or resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 2.9 0.6 0.6 volume=1.826 peak=1188 ppm1=8.401 ppm2=4.294

assign ( resid 38 and name HN
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.0 0.6 0.6 volume=1.611 peak=1189 ppm1=8.488 ppm2=4.270

assign ( resid 92 and name HN
  or resid 97 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.4 0.7 0.7 volume=0.647 peak=1190 ppm1=8.248 ppm2=4.270

assign ( resid 17 and name HN
  or resid 92 and name HN
  or resid 97 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.4 0.7 0.7 volume=0.726 peak=1191 ppm1=8.231 ppm2=4.269

assign ( resid 7 and name HN
  or resid 26 and name HN
  or resid 105 and name HN
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.4 0.7 0.7 volume=0.640 peak=1192 ppm1=8.302 ppm2=4.259

assign ( resid 78 and name HN
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.3 0.7 0.7 volume=0.863 peak=1193 ppm1=8.214 ppm2=4.262

assign ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  )
       ( resid 5 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 79 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.4 0.7 0.7 volume=0.654 peak=1194 ppm1=8.557 ppm2=4.226

assign ( resid 81 and name HN
  )
       ( resid 19 and name HB
  or resid 81 and name HA
  or resid 102 and name HA
  ) 3.2 0.6 0.6 volume=1.093 peak=1195 ppm1=8.440 ppm2=4.180

assign ( resid 47 and name HN
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.3 0.7 0.7 volume=0.898 peak=1196 ppm1=8.813 ppm2=4.063

assign ( resid 35 and name HN
  or resid 48 and name HN
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.2 0.6 0.6 volume=1.023 peak=1197 ppm1=8.381 ppm2=4.063

assign ( resid 89 and name HN
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.1 0.6 0.6 volume=1.171 peak=1198 ppm1=8.774 ppm2=4.044

assign ( resid 24 and name HN
  )
       ( resid 24 and name HA
  or resid 52 and name HA2
  or resid 87 and name HD2
  ) 3.0 0.6 0.6 volume=1.365 peak=1199 ppm1=9.010 ppm2=4.122

assign ( resid 76 and name HN
  )
       ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 94 and name HB3
  ) 3.2 0.6 0.6 volume=0.967 peak=1200 ppm1=9.433 ppm2=3.872

assign ( resid 43 and name HN
  )
       ( resid 15 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 2.9 0.6 0.6 volume=1.882 peak=1201 ppm1=8.135 ppm2=3.708

assign ( resid 34 and name HN
  or resid 67 and name HN
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  ) 3.2 0.6 0.6 volume=0.981 peak=1202 ppm1=8.478 ppm2=3.465

assign ( resid 82 and name HN
  )
       ( resid 6 and name HB2
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 82 and name HA
  ) 3.3 0.7 0.7 volume=0.851 peak=1203 ppm1=9.252 ppm2=3.225

assign ( resid 76 and name HN
  )
       ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 66 and name HA1
  or resid 76 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  ) 3.2 0.6 0.6 volume=0.952 peak=1204 ppm1=9.435 ppm2=3.169

assign ( resid 32 and name HN
  )
       ( resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 3.3 0.7 0.7 volume=0.898 peak=1205 ppm1=8.620 ppm2=3.119

assign ( resid 76 and name HN
  )
       ( resid 17 and name HB
  or resid 75 and name HB3
  or resid 75 and name HB2
  ) 3.3 0.7 0.7 volume=0.782 peak=1206 ppm1=9.433 ppm2=2.269

assign ( resid 47 and name HN
  )
       ( resid 12 and name HB2
  or resid 18 and name HB2
  or resid 25 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 2.8 0.6 0.6 volume=2.351 peak=1207 ppm1=8.812 ppm2=2.068

assign ( resid 11 and name HN
  or resid 89 and name HN
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  ) 3.1 0.6 0.6 volume=1.234 peak=1208 ppm1=8.767 ppm2=1.949

assign ( resid 69 and name HN
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 20 and name HA1
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  ) 3.1 0.6 0.6 volume=1.281 peak=1209 ppm1=8.491 ppm2=2.952

assign ( resid 50 and name HN
  or resid 56 and name HN
  )
       ( resid 39 and name HD2
  or resid 39 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 3.3 0.7 0.7 volume=0.768 peak=1210 ppm1=7.855 ppm2=3.628

assign ( resid 44 and name HN
  )
       ( resid 15 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 2.9 0.6 0.6 volume=1.943 peak=1211 ppm1=7.603 ppm2=3.603

assign ( resid 69 and name HN
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 3.2 0.6 0.6 volume=0.968 peak=1212 ppm1=8.491 ppm2=2.444

assign ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  )
       ( resid 13 and name HB2
  or resid 47 and name HG3
  or resid 47 and name HG2
  ) 3.4 0.7 0.7 volume=0.679 peak=1213 ppm1=8.545 ppm2=2.320

assign ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 106 and name HB2
  ) 3.1 0.6 0.6 volume=1.329 peak=1214 ppm1=8.545 ppm2=1.858

assign ( resid 14 and name HN
  or resid 63 and name HN
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 106 and name HB2
  ) 3.0 0.6 0.6 volume=1.547 peak=1215 ppm1=8.381 ppm2=1.855

assign ( resid 9 and name HN
  or resid 58 and name HN
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.2 0.6 0.6 volume=0.960 peak=1216 ppm1=8.547 ppm2=1.765

assign ( resid 10 and name HN
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.4 0.7 0.7 volume=0.732 peak=1217 ppm1=8.342 ppm2=1.764

assign ( resid 14 and name HN
  or resid 63 and name HN
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 31 and name HG2
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 2.9 0.6 0.6 volume=1.781 peak=1218 ppm1=8.401 ppm2=1.737

assign ( resid 68 and name HN
  )
       ( resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  or resid 102 and name HG3
  ) 3.2 0.6 0.6 volume=1.082 peak=1219 ppm1=8.165 ppm2=2.169

assign ( resid 37 and name HN
  )
       ( resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  or resid 102 and name HG3
  ) 3.0 0.6 0.6 volume=1.611 peak=1220 ppm1=8.057 ppm2=2.170

assign ( resid 78 and name HN
  )
       ( resid 12 and name HB2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 3.1 0.6 0.6 volume=1.256 peak=1221 ppm1=8.205 ppm2=2.079

assign ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  )
       ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.1 0.6 0.6 volume=1.308 peak=1222 ppm1=8.402 ppm2=1.994

assign ( resid 25 and name HN
  or resid 48 and name HN
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 2.7 0.5 0.5 volume=2.617 peak=1223 ppm1=8.401 ppm2=2.095

assign ( resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  )
       ( resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  or resid 102 and name HG3
  ) 3.0 0.6 0.6 volume=1.563 peak=1224 ppm1=8.489 ppm2=2.165

assign ( resid 71 and name HN
  or resid 90 and name HN
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.1 0.6 0.6 volume=1.134 peak=1225 ppm1=8.889 ppm2=1.576

assign ( resid 90 and name HN
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.2 0.6 0.6 volume=0.922 peak=1226 ppm1=8.888 ppm2=1.483

assign ( resid 59 and name HN
  or resid 71 and name HN
  )
       ( resid 22 and name HD1#
  or resid 55 and name HB#
  or resid 59 and name HG12
  ) 3.7 0.7 0.7 volume=0.810 peak=1227 ppm1=8.883 ppm2=1.346

assign ( resid 82 and name HN
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 31 and name HG3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.4 0.7 0.7 volume=0.693 peak=1228 ppm1=9.253 ppm2=1.604

assign ( resid 22 and name HN
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.3 0.7 0.7 volume=0.901 peak=1229 ppm1=9.292 ppm2=1.582

assign ( resid 19 and name HN
  or resid 43 and name HN
  )
       ( resid 19 and name HG2#
  or resid 40 and name HG3
  or resid 42 and name HG2
  ) 3.0 0.6 0.6 volume=1.839 peak=1230 ppm1=8.124 ppm2=1.165

assign ( resid 40 and name HN
  or resid 42 and name HN
  )
       ( resid 9 and name HG13
  or resid 39 and name HB3
  or resid 42 and name HG2
  ) 3.3 0.7 0.7 volume=0.776 peak=1231 ppm1=9.002 ppm2=1.127

assign ( resid 59 and name HN
  )
       ( resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  ) 3.2 0.6 0.6 volume=1.500 peak=1232 ppm1=8.886 ppm2=1.069

assign ( resid 71 and name HN
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 3.3 0.7 0.7 volume=1.689 peak=1233 ppm1=8.887 ppm2=1.027

assign ( resid 70 and name HN
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 70 and name HB#
  ) 3.3 0.7 0.7 volume=1.594 peak=1234 ppm1=8.241 ppm2=1.009

assign ( resid 18 and name HN
  or resid 32 and name HN
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 63 and name HD1#
  or resid 65 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HG2#
  ) 3.6 0.7 0.7 volume=1.514 peak=1235 ppm1=8.622 ppm2=0.943

assign ( resid 90 and name HN
  )
       ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.6 0.7 0.7 volume=1.368 peak=1236 ppm1=8.889 ppm2=0.909

assign ( resid 9 and name HN
  or resid 58 and name HN
  )
       ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.9 0.8 0.8 volume=0.903 peak=1237 ppm1=8.545 ppm2=0.913

assign ( resid 24 and name HN
  )
       ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.8 0.8 0.8 volume=1.147 peak=1238 ppm1=9.009 ppm2=0.904

assign ( resid 89 and name HN
  )
       ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.1 0.8 0.8 volume=0.723 peak=1239 ppm1=8.771 ppm2=0.907

assign ( resid 67 and name HN
  )
       ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.6 0.7 0.7 volume=1.490 peak=1240 ppm1=8.487 ppm2=0.905

assign ( resid 61 and name HN
  or resid 68 and name HN
  )
       ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.5 0.7 0.7 volume=1.667 peak=1241 ppm1=8.166 ppm2=0.902

assign ( resid 60 and name HN
  or resid 90 and name HN
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.7 0.7 0.7 volume=1.247 peak=1242 ppm1=8.889 ppm2=0.883

assign ( resid 9 and name HN
  or resid 58 and name HN
  )
       ( resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD1#
  or resid 97 and name HD2#
  or resid 107 and name HG1#
  ) 3.8 0.8 0.8 volume=1.073 peak=1243 ppm1=8.545 ppm2=0.870

assign ( resid 10 and name HN
  )
       ( resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  ) 3.6 0.7 0.7 volume=1.497 peak=1244 ppm1=8.343 ppm2=0.872

assign ( resid 78 and name HN
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 8 and name HG
  or resid 15 and name HG3
  or resid 25 and name HG2
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB2
  ) 3.0 0.6 0.6 volume=1.336 peak=1245 ppm1=8.205 ppm2=1.617

assign ( resid 25 and name HN
  or resid 63 and name HN
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 31 and name HG3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  or resid 97 and name HB2
  ) 3.1 0.6 0.6 volume=1.234 peak=1246 ppm1=8.402 ppm2=1.605

assign ( resid 92 and name HN
  or resid 97 and name HN
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.2 0.6 0.6 volume=1.058 peak=1247 ppm1=8.209 ppm2=1.594

assign ( resid 21 and name HN
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.3 0.7 0.7 volume=0.771 peak=1248 ppm1=8.495 ppm2=1.577

assign ( resid 97 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.2 0.6 0.6 volume=0.949 peak=1249 ppm1=8.248 ppm2=1.585

assign ( resid 43 and name HN
  or resid 45 and name HN
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HB3
  ) 3.5 0.7 0.7 volume=0.632 peak=1250 ppm1=8.137 ppm2=1.568

assign ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  )
       ( resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 29 and name HB2
  or resid 32 and name HG13
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  ) 3.4 0.7 0.7 volume=0.702 peak=1251 ppm1=8.546 ppm2=1.555

assign ( resid 43 and name HN
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  ) 3.1 0.6 0.6 volume=1.318 peak=1252 ppm1=8.136 ppm2=1.524

assign ( resid 21 and name HN
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.2 0.6 0.6 volume=1.076 peak=1253 ppm1=8.496 ppm2=1.510

assign ( resid 81 and name HN
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 2.8 0.6 0.6 volume=2.005 peak=1254 ppm1=8.441 ppm2=1.510

assign ( resid 25 and name HN
  )
       ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.3 0.7 0.7 volume=0.819 peak=1255 ppm1=8.401 ppm2=1.492

assign ( resid 9 and name HN
  or resid 58 and name HN
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.3 0.7 0.7 volume=0.898 peak=1256 ppm1=8.545 ppm2=1.458

assign ( resid 9 and name HN
  or resid 58 and name HN
  )
       ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  ) 3.9 0.8 0.8 volume=0.859 peak=1257 ppm1=8.548 ppm2=0.829

assign ( resid 20 and name HN
  )
       ( resid 19 and name HG2#
  or resid 40 and name HG3
  or resid 42 and name HG2
  ) 3.5 0.7 0.7 volume=0.818 peak=1258 ppm1=7.988 ppm2=1.166

assign ( resid 23 and name HN
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 3.9 0.8 0.8 volume=0.621 peak=1259 ppm1=9.604 ppm2=1.033

assign ( resid 22 and name HN
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 4.1 0.8 0.8 volume=0.432 peak=1260 ppm1=9.290 ppm2=1.032

assign ( resid 22 and name HN
  )
       ( resid 22 and name HD1#
  or resid 55 and name HB#
  ) 4.6 0.9 0.9 volume=0.361 peak=1261 ppm1=9.288 ppm2=1.353

assign ( resid 23 and name HN
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.8 0.8 0.8 volume=0.341 peak=1262 ppm1=9.601 ppm2=1.508

assign ( resid 82 and name HN
  )
       ( resid 13 and name HG3
  or resid 29 and name HB2
  or resid 32 and name HG13
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  ) 3.9 0.8 0.8 volume=0.288 peak=1263 ppm1=9.253 ppm2=1.543

assign ( resid 22 and name HN
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.6 0.7 0.7 volume=0.460 peak=1264 ppm1=9.292 ppm2=1.509

assign ( resid 82 and name HN
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.6 0.7 0.7 volume=0.472 peak=1265 ppm1=9.253 ppm2=1.505

assign ( resid 23 and name HN
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.8 0.8 0.8 volume=0.331 peak=1266 ppm1=9.602 ppm2=1.753

assign ( resid 22 and name HN
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.8 0.8 0.8 volume=0.379 peak=1267 ppm1=9.292 ppm2=1.746

assign ( resid 82 and name HN
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 106 and name HB2
  ) 3.7 0.7 0.7 volume=0.418 peak=1268 ppm1=9.248 ppm2=1.852

assign ( resid 42 and name HN
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.5 0.7 0.7 volume=0.581 peak=1269 ppm1=9.002 ppm2=1.504

assign ( resid 42 and name HN
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.6 0.7 0.7 volume=0.502 peak=1270 ppm1=9.002 ppm2=1.473

assign ( resid 40 and name HN
  )
       ( resid 40 and name HB3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  ) 3.8 0.8 0.8 volume=0.347 peak=1271 ppm1=8.998 ppm2=1.387

assign ( resid 90 and name HN
  )
       ( resid 29 and name HD3
  or resid 40 and name HB3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.5 0.7 0.7 volume=0.537 peak=1272 ppm1=8.889 ppm2=1.416

assign ( resid 89 and name HN
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.6 0.7 0.7 volume=0.493 peak=1273 ppm1=8.769 ppm2=1.479

assign ( resid 89 and name HN
  )
       ( resid 29 and name HD3
  or resid 40 and name HB3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  ) 3.5 0.7 0.7 volume=0.543 peak=1274 ppm1=8.774 ppm2=1.400

assign ( resid 59 and name HN
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 59 and name HG13
  ) 3.6 0.7 0.7 volume=0.588 peak=1275 ppm1=8.888 ppm2=1.229

assign ( resid 28 and name HN
  or resid 52 and name HN
  )
       ( resid 22 and name HD1#
  or resid 55 and name HB#
  ) 3.5 0.7 0.7 volume=1.778 peak=1276 ppm1=7.918 ppm2=1.353

assign ( resid 56 and name HN
  )
       ( resid 22 and name HD1#
  or resid 55 and name HB#
  or resid 59 and name HG12
  ) 3.6 0.7 0.7 volume=0.942 peak=1277 ppm1=7.853 ppm2=1.333

assign ( resid 29 and name HN
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 3.6 0.7 0.7 volume=0.988 peak=1278 ppm1=7.531 ppm2=1.030

assign ( resid 29 and name HN
  )
       ( resid 29 and name HG2
  or resid 65 and name HG2#
  or resid 70 and name HB#
  ) 3.8 0.8 0.8 volume=0.662 peak=1279 ppm1=7.531 ppm2=0.990

assign ( resid 33 and name HN
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 65 and name HG2#
  or resid 79 and name HD1#
  ) 3.9 0.8 0.8 volume=0.730 peak=1280 ppm1=7.658 ppm2=0.950

assign ( resid 68 and name HD21
  )
       ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.2 0.8 0.8 volume=0.586 peak=1281 ppm1=7.748 ppm2=0.900

assign ( resid 71 and name HD#
  )
       ( resid 9 and name HG13
  or resid 39 and name HB3
  or resid 42 and name HG2
  ) 3.6 0.7 0.7 volume=1.002 peak=1282 ppm1=6.931 ppm2=1.129

assign ( resid 36 and name HE#
  )
       ( resid 29 and name HG2
  or resid 65 and name HG2#
  ) 4.2 0.8 0.8 volume=0.568 peak=1283 ppm1=6.903 ppm2=0.979

assign ( resid 4 and name HD2
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 72 and name HE#
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 65 and name HG2#
  ) 4.3 0.9 0.9 volume=0.431 peak=1284 ppm1=6.891 ppm2=0.958

assign ( resid 72 and name HD#
  )
       ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.3 0.9 0.9 volume=0.993 peak=1285 ppm1=6.971 ppm2=0.912

assign ( resid 64 and name HN
  or resid 72 and name HE#
  )
       ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.7 0.7 0.7 volume=1.739 peak=1286 ppm1=6.888 ppm2=0.913

assign ( resid 68 and name HD22
  )
       ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.1 0.8 0.8 volume=0.650 peak=1287 ppm1=6.996 ppm2=0.906

assign ( resid 71 and name HE#
  or resid 74 and name HD1
  or resid 74 and name HH2
  )
       ( resid 9 and name HG13
  or resid 39 and name HB3
  or resid 42 and name HG2
  ) 3.5 0.7 0.7 volume=0.714 peak=1288 ppm1=7.275 ppm2=1.129

assign ( resid 6 and name HD#
  or resid 51 and name HE#
  or resid 74 and name HZ3
  or resid 101 and name HD#
  )
       ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.5 0.9 0.9 volume=0.656 peak=1289 ppm1=7.232 ppm2=0.910

assign ( resid 6 and name HE#
  or resid 51 and name HD#
  )
       ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  ) 4.9 1.0 1.0 volume=0.479 peak=1290 ppm1=7.333 ppm2=0.833

assign ( resid 6 and name HD#
  or resid 51 and name HE#
  or resid 74 and name HZ3
  or resid 101 and name HD#
  )
       ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  ) 4.4 0.9 0.9 volume=0.741 peak=1291 ppm1=7.234 ppm2=0.836

assign ( resid 6 and name HD#
  or resid 51 and name HE#
  or resid 74 and name HZ3
  or resid 101 and name HD#
  )
       ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 45 and name HG2#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  ) 4.7 0.9 0.9 volume=0.495 peak=1292 ppm1=7.233 ppm2=0.814

assign ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  )
       ( resid 62 and name HA
  ) 3.7 0.7 0.7 volume=0.429 peak=1293 ppm1=8.400 ppm2=4.674

assign ( resid 35 and name HN
  )
       ( resid 7 and name HA
  or resid 35 and name HA
  ) 3.5 0.7 0.7 volume=0.558 peak=1294 ppm1=8.376 ppm2=4.616

assign ( resid 7 and name HN
  or resid 98 and name HN
  )
       ( resid 7 and name HA
  or resid 35 and name HA
  ) 3.5 0.7 0.7 volume=0.618 peak=1295 ppm1=8.297 ppm2=4.600

assign ( resid 20 and name HN
  or resid 30 and name HN
  or resid 101 and name HN
  )
       ( resid 7 and name HA
  or resid 35 and name HA
  ) 3.6 0.7 0.7 volume=0.475 peak=1296 ppm1=7.996 ppm2=4.598

assign ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  )
       ( resid 4 and name HA
  or resid 7 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 35 and name HA
  ) 3.6 0.7 0.7 volume=0.461 peak=1297 ppm1=8.247 ppm2=4.584

assign ( resid 14 and name HE22
  or resid 72 and name HD#
  or resid 91 and name HD22
  or resid 100 and name HD2
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 7 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.6 0.7 0.7 volume=0.611 peak=1298 ppm1=6.959 ppm2=4.567

assign ( resid 71 and name HD#
  )
       ( resid 2 and name HA
  or resid 34 and name HA
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 100 and name HA
  ) 3.9 0.8 0.8 volume=0.624 peak=1299 ppm1=6.932 ppm2=4.514

assign ( resid 33 and name HN
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 84 and name HA
  ) 3.7 0.7 0.7 volume=0.422 peak=1300 ppm1=7.655 ppm2=4.493

assign ( resid 6 and name HE#
  or resid 51 and name HN
  or resid 51 and name HD#
  or resid 55 and name HN
  or resid 71 and name HZ
  or resid 101 and name HZ
  )
       ( resid 1 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  ) 3.7 0.7 0.7 volume=0.483 peak=1301 ppm1=7.324 ppm2=4.459

assign ( resid 64 and name HN
  )
       ( resid 1 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  ) 3.5 0.7 0.7 volume=0.537 peak=1302 ppm1=6.905 ppm2=4.459

assign ( resid 74 and name HD1
  or resid 74 and name HH2
  )
       ( resid 18 and name HA
  or resid 28 and name HA1
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  ) 3.7 0.7 0.7 volume=0.426 peak=1303 ppm1=7.272 ppm2=4.407

assign ( resid 89 and name HN
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.6 0.7 0.7 volume=0.533 peak=1304 ppm1=8.771 ppm2=4.358

assign ( resid 11 and name HN
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.5 0.7 0.7 volume=0.542 peak=1305 ppm1=8.761 ppm2=4.361

assign ( resid 107 and name HN
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 92 and name HA
  or resid 106 and name HA
  ) 3.0 0.6 0.6 volume=1.625 peak=1306 ppm1=7.749 ppm2=4.348

assign ( resid 55 and name HN
  )
       ( resid 9 and name HA
  or resid 35 and name HB2
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 86 and name HA
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 106 and name HA
  ) 3.5 0.7 0.7 volume=0.618 peak=1307 ppm1=7.320 ppm2=4.337

assign ( resid 4 and name HE1
  or resid 85 and name HN
  or resid 88 and name HN
  or resid 107 and name HN
  )
       ( resid 3 and name HA
  or resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.3 0.7 0.7 volume=0.773 peak=1308 ppm1=7.783 ppm2=4.282

assign ( resid 57 and name HN
  )
       ( resid 3 and name HA
  or resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.2 0.6 0.6 volume=1.080 peak=1309 ppm1=7.653 ppm2=4.286

assign ( resid 18 and name HN
  or resid 32 and name HN
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.7 0.7 0.7 volume=0.434 peak=1310 ppm1=8.625 ppm2=4.268

assign ( resid 82 and name HN
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.6 0.7 0.7 volume=0.535 peak=1311 ppm1=9.254 ppm2=4.260

assign ( resid 81 and name HN
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  ) 3.6 0.7 0.7 volume=0.482 peak=1312 ppm1=8.438 ppm2=4.258

assign ( resid 61 and name HN
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.7 0.7 0.7 volume=0.451 peak=1313 ppm1=8.176 ppm2=4.262

assign ( resid 77 and name HN
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.3 0.7 0.7 volume=0.899 peak=1314 ppm1=8.056 ppm2=4.260

assign ( resid 80 and name HN
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  ) 3.2 0.6 0.6 volume=0.921 peak=1315 ppm1=7.717 ppm2=4.257

assign ( resid 79 and name HN
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  ) 3.1 0.6 0.6 volume=1.208 peak=1316 ppm1=7.626 ppm2=4.258

assign ( resid 29 and name HN
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  ) 3.7 0.7 0.7 volume=0.424 peak=1317 ppm1=7.532 ppm2=4.257

assign ( resid 20 and name HN
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  ) 3.4 0.7 0.7 volume=0.647 peak=1318 ppm1=7.984 ppm2=4.247

assign ( resid 28 and name HN
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  ) 2.9 0.6 0.6 volume=1.897 peak=1319 ppm1=7.917 ppm2=4.254

assign ( resid 32 and name HN
  )
       ( resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 58 and name HA
  or resid 81 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.6 0.7 0.7 volume=0.515 peak=1320 ppm1=8.623 ppm2=4.201

assign ( resid 20 and name HN
  )
       ( resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 81 and name HA
  or resid 102 and name HA
  ) 3.3 0.7 0.7 volume=0.784 peak=1321 ppm1=7.988 ppm2=4.183

assign ( resid 27 and name HN
  )
       ( resid 24 and name HA
  or resid 52 and name HA2
  or resid 87 and name HD2
  ) 3.4 0.7 0.7 volume=0.681 peak=1322 ppm1=7.183 ppm2=4.121

assign ( resid 25 and name HN
  )
       ( resid 24 and name HA
  or resid 52 and name HA2
  or resid 80 and name HA2
  or resid 87 and name HD2
  ) 3.5 0.7 0.7 volume=0.574 peak=1323 ppm1=8.398 ppm2=4.116

assign ( resid 81 and name HN
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 31 and name HD2
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 87 and name HD2
  ) 3.7 0.7 0.7 volume=0.439 peak=1324 ppm1=8.447 ppm2=4.090

assign ( resid 80 and name HN
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  ) 3.1 0.6 0.6 volume=1.301 peak=1325 ppm1=7.719 ppm2=4.080

assign ( resid 30 and name HN
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 2.8 0.6 0.6 volume=2.170 peak=1326 ppm1=8.015 ppm2=4.063

assign ( resid 50 and name HN
  or resid 56 and name HN
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.3 0.7 0.7 volume=0.801 peak=1327 ppm1=7.854 ppm2=4.063

assign ( resid 18 and name HE21
  or resid 68 and name HD21
  or resid 80 and name HN
  or resid 107 and name HN
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.5 0.7 0.7 volume=0.559 peak=1328 ppm1=7.739 ppm2=4.068

assign ( resid 29 and name HN
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.3 0.7 0.7 volume=0.802 peak=1329 ppm1=7.529 ppm2=4.065

assign ( resid 27 and name HN
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.6 0.7 0.7 volume=0.511 peak=1330 ppm1=7.183 ppm2=4.065

assign ( resid 6 and name HE#
  or resid 51 and name HN
  or resid 51 and name HD#
  or resid 55 and name HN
  or resid 71 and name HZ
  or resid 101 and name HZ
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.1 0.6 0.6 volume=1.593 peak=1331 ppm1=7.320 ppm2=4.059

assign ( resid 88 and name HN
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.4 0.7 0.7 volume=0.649 peak=1332 ppm1=7.800 ppm2=4.044

assign ( resid 68 and name HD21
  or resid 107 and name HN
  )
       ( resid 0 and name HA2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.4 0.7 0.7 volume=0.731 peak=1333 ppm1=7.752 ppm2=4.042

assign ( resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 100 and name HE1
  )
       ( resid 2 and name HB2
  or resid 31 and name HD3
  or resid 49 and name HA
  or resid 80 and name HA1
  or resid 93 and name HA2
  or resid 93 and name HA1
  ) 3.6 0.7 0.7 volume=0.492 peak=1334 ppm1=7.856 ppm2=3.944

assign ( resid 50 and name HN
  or resid 56 and name HN
  )
       ( resid 1 and name HB2
  or resid 1 and name HB3
  or resid 2 and name HB3
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 94 and name HB3
  ) 3.4 0.7 0.7 volume=0.677 peak=1335 ppm1=7.855 ppm2=3.891

assign ( resid 71 and name HD#
  )
       ( resid 15 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 3.7 0.7 0.7 volume=0.799 peak=1336 ppm1=6.933 ppm2=3.709

assign ( resid 43 and name HN
  )
       ( resid 15 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 3.5 0.7 0.7 volume=0.539 peak=1337 ppm1=8.136 ppm2=3.603

assign ( resid 72 and name HD#
  )
       ( resid 15 and name HD3
  or resid 43 and name HA
  ) 4.0 0.8 0.8 volume=0.561 peak=1338 ppm1=6.972 ppm2=3.599

assign ( resid 23 and name HN
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  ) 3.6 0.7 0.7 volume=0.493 peak=1339 ppm1=9.604 ppm2=3.483

assign ( resid 25 and name HN
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  ) 3.7 0.7 0.7 volume=0.432 peak=1340 ppm1=8.374 ppm2=3.478

assign ( resid 68 and name HN
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  ) 3.7 0.7 0.7 volume=0.432 peak=1341 ppm1=8.163 ppm2=3.461

assign ( resid 75 and name HN
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  ) 3.7 0.7 0.7 volume=0.429 peak=1342 ppm1=8.148 ppm2=3.457

assign ( resid 67 and name HN
  )
       ( resid 13 and name HE2
  or resid 30 and name HB3
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 76 and name HB2
  or resid 82 and name HA
  ) 3.5 0.7 0.7 volume=0.588 peak=1343 ppm1=8.485 ppm2=3.198

assign ( resid 33 and name HN
  )
       ( resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 3.2 0.6 0.6 volume=0.982 peak=1344 ppm1=7.656 ppm2=3.121

assign ( resid 27 and name HN
  )
       ( resid 20 and name HA1
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 83 and name HE3
  or resid 83 and name HE2
  ) 2.9 0.6 0.6 volume=1.967 peak=1345 ppm1=7.182 ppm2=2.935

assign ( resid 49 and name HN
  )
       ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 3.5 0.7 0.7 volume=0.591 peak=1346 ppm1=9.183 ppm2=2.871

assign ( resid 69 and name HN
  )
       ( resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 91 and name HB3
  or resid 98 and name HB3
  ) 3.5 0.7 0.7 volume=0.607 peak=1347 ppm1=8.492 ppm2=2.674

assign ( resid 85 and name HN
  )
       ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 3.3 0.7 0.7 volume=0.797 peak=1348 ppm1=7.784 ppm2=2.668

assign ( resid 78 and name HN
  )
       ( resid 7 and name HB2
  or resid 23 and name HB2
  or resid 58 and name HB2
  or resid 71 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 98 and name HB2
  ) 3.5 0.7 0.7 volume=0.623 peak=1349 ppm1=8.205 ppm2=2.641

assign ( resid 34 and name HN
  )
       ( resid 10 and name HG3
  or resid 34 and name HB3
  ) 3.6 0.7 0.7 volume=0.532 peak=1350 ppm1=8.471 ppm2=2.541

assign ( resid 27 and name HN
  )
       ( resid 27 and name HB3
  or resid 33 and name HB3
  or resid 57 and name HB3
  ) 2.9 0.6 0.6 volume=1.881 peak=1351 ppm1=7.181 ppm2=2.498

assign ( resid 9 and name HN
  or resid 58 and name HN
  )
       ( resid 14 and name HG2
  or resid 14 and name HG3
  or resid 27 and name HB3
  or resid 33 and name HB3
  or resid 57 and name HB3
  ) 3.6 0.7 0.7 volume=0.465 peak=1352 ppm1=8.556 ppm2=2.486

assign ( resid 14 and name HN
  or resid 63 and name HN
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 33 and name HB3
  or resid 57 and name HB3
  or resid 69 and name HB2
  ) 3.6 0.7 0.7 volume=0.493 peak=1353 ppm1=8.382 ppm2=2.463

assign ( resid 71 and name HE#
  or resid 74 and name HD1
  or resid 74 and name HH2
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 3.3 0.7 0.7 volume=1.016 peak=1354 ppm1=7.275 ppm2=2.441

assign ( resid 10 and name HN
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 3.6 0.7 0.7 volume=0.500 peak=1355 ppm1=8.341 ppm2=2.429

assign ( resid 14 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  )
       ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 3.6 0.7 0.7 volume=0.495 peak=1356 ppm1=8.383 ppm2=2.417

assign ( resid 47 and name HN
  )
       ( resid 13 and name HB2
  or resid 18 and name HG3
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  ) 3.5 0.7 0.7 volume=0.594 peak=1357 ppm1=8.813 ppm2=2.336

assign ( resid 14 and name HN
  or resid 48 and name HN
  )
       ( resid 13 and name HB2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  ) 3.6 0.7 0.7 volume=0.523 peak=1358 ppm1=8.385 ppm2=2.326

assign ( resid 81 and name HN
  )
       ( resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.5 0.7 0.7 volume=0.635 peak=1359 ppm1=8.442 ppm2=2.145

assign ( resid 79 and name HN
  )
       ( resid 12 and name HB2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 3.6 0.7 0.7 volume=0.506 peak=1360 ppm1=7.628 ppm2=2.077

assign ( resid 41 and name HN
  )
       ( resid 12 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 56 and name HB2
  ) 3.5 0.7 0.7 volume=0.585 peak=1361 ppm1=7.651 ppm2=2.041

assign ( resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  )
       ( resid 12 and name HB2
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 40 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  ) 3.5 0.7 0.7 volume=0.600 peak=1362 ppm1=7.646 ppm2=2.021

assign ( resid 50 and name HN
  or resid 56 and name HN
  )
       ( resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 40 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.6 0.7 0.7 volume=0.513 peak=1363 ppm1=7.853 ppm2=2.010

assign ( resid 71 and name HD#
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 4.0 0.8 0.8 volume=0.516 peak=1364 ppm1=6.935 ppm2=1.984

assign ( resid 88 and name HN
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 39 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.2 0.6 0.6 volume=1.071 peak=1365 ppm1=7.798 ppm2=1.965

assign ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  ) 3.5 0.7 0.7 volume=0.628 peak=1366 ppm1=8.887 ppm2=1.946

assign ( resid 88 and name HN
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  ) 3.2 0.6 0.6 volume=0.985 peak=1367 ppm1=7.800 ppm2=1.948

assign ( resid 44 and name HN
  or resid 88 and name HE
  )
       ( resid 5 and name HB2
  or resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  ) 3.5 0.7 0.7 volume=0.605 peak=1368 ppm1=7.611 ppm2=1.944

assign ( resid 72 and name HD#
  )
       ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 4.0 0.8 0.8 volume=0.522 peak=1369 ppm1=6.975 ppm2=1.923

assign ( resid 88 and name HN
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  ) 3.4 0.7 0.7 volume=0.681 peak=1370 ppm1=7.801 ppm2=1.881

assign ( resid 72 and name HD#
  or resid 91 and name HD22
  or resid 100 and name HD2
  )
       ( resid 3 and name HB3
  or resid 10 and name HB3
  or resid 13 and name HD3
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 104 and name HB2
  or resid 105 and name HB3
  ) 3.7 0.7 0.7 volume=0.537 peak=1371 ppm1=6.972 ppm2=1.791

assign ( resid 72 and name HD#
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 103 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 4.0 0.8 0.8 volume=0.530 peak=1372 ppm1=6.971 ppm2=1.778

assign ( resid 50 and name HN
  or resid 56 and name HN
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.5 0.7 0.7 volume=0.547 peak=1373 ppm1=7.850 ppm2=1.765

assign ( resid 81 and name HN
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.5 0.7 0.7 volume=0.603 peak=1374 ppm1=8.440 ppm2=1.753

assign ( resid 80 and name HN
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.6 0.7 0.7 volume=0.479 peak=1375 ppm1=7.720 ppm2=1.749

assign ( resid 79 and name HN
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 2.8 0.6 0.6 volume=2.164 peak=1376 ppm1=7.627 ppm2=1.752

assign ( resid 3 and name HN
  or resid 10 and name HN
  or resid 14 and name HN
  or resid 35 and name HN
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 31 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.6 0.7 0.7 volume=0.459 peak=1377 ppm1=8.367 ppm2=1.738

assign ( resid 38 and name HN
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 3.5 0.7 0.7 volume=0.611 peak=1378 ppm1=8.486 ppm2=1.675

assign ( resid 79 and name HN
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 3.3 0.7 0.7 volume=0.803 peak=1379 ppm1=7.627 ppm2=1.676

assign ( resid 72 and name HE#
  )
       ( resid 8 and name HG
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 3.7 0.7 0.7 volume=0.791 peak=1380 ppm1=6.888 ppm2=1.665

assign ( resid 79 and name HN
  )
       ( resid 8 and name HG
  or resid 15 and name HG3
  or resid 25 and name HG2
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 83 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB2
  or resid 97 and name HG
  or resid 97 and name HB2
  ) 3.5 0.7 0.7 volume=0.565 peak=1381 ppm1=7.626 ppm2=1.623

assign ( resid 83 and name HN
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.7 0.7 0.7 volume=0.439 peak=1382 ppm1=7.195 ppm2=1.589

assign ( resid 61 and name HN
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.5 0.7 0.7 volume=0.585 peak=1383 ppm1=8.172 ppm2=1.570

assign ( resid 44 and name HN
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.4 0.7 0.7 volume=0.674 peak=1384 ppm1=7.604 ppm2=1.574

assign ( resid 29 and name HN
  or resid 54 and name HE22
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.2 0.6 0.6 volume=1.089 peak=1385 ppm1=7.530 ppm2=1.571

assign ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  )
       ( resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  ) 3.5 0.7 0.7 volume=0.554 peak=1386 ppm1=8.382 ppm2=1.556

assign ( resid 72 and name HE#
  )
       ( resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HB3
  or resid 97 and name HB3
  ) 3.5 0.7 0.7 volume=1.080 peak=1387 ppm1=6.889 ppm2=1.557

assign ( resid 4 and name HD2
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 72 and name HE#
  or resid 95 and name HD21
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.7 0.7 0.7 volume=0.463 peak=1388 ppm1=6.897 ppm2=1.504

assign ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.5 0.7 0.7 volume=0.596 peak=1389 ppm1=8.131 ppm2=1.460

assign ( resid 41 and name HN
  )
       ( resid 22 and name HD1#
  or resid 40 and name HB3
  or resid 87 and name HG3
  or resid 89 and name HG13
  ) 3.6 0.7 0.7 volume=0.556 peak=1390 ppm1=7.647 ppm2=1.379

assign ( resid 29 and name HN
  )
       ( resid 22 and name HD1#
  or resid 55 and name HB#
  ) 3.6 0.7 0.7 volume=1.553 peak=1391 ppm1=7.530 ppm2=1.354

assign ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  )
       ( resid 12 and name HG
  or resid 55 and name HB#
  or resid 59 and name HG12
  ) 3.8 0.8 0.8 volume=0.482 peak=1392 ppm1=8.898 ppm2=1.325

assign ( resid 9 and name HN
  or resid 58 and name HN
  )
       ( resid 9 and name HG13
  or resid 37 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HG2
  or resid 42 and name HG2
  ) 3.8 0.8 0.8 volume=0.443 peak=1393 ppm1=8.547 ppm2=1.114

assign ( resid 20 and name HN
  or resid 30 and name HN
  or resid 101 and name HN
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 4.1 0.8 0.8 volume=0.433 peak=1394 ppm1=8.003 ppm2=1.020

assign ( resid 43 and name HN
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 70 and name HB#
  ) 4.0 0.8 0.8 volume=0.498 peak=1395 ppm1=8.133 ppm2=1.010

assign ( resid 81 and name HN
  )
       ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.4 0.9 0.9 volume=0.425 peak=1396 ppm1=8.437 ppm2=0.915

assign ( resid 92 and name HN
  )
       ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.4 0.9 0.9 volume=0.436 peak=1397 ppm1=8.208 ppm2=0.904

assign ( resid 41 and name HN
  )
       ( resid 5 and name HB2
  or resid 13 and name HG2
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  ) 3.9 0.8 0.8 volume=0.325 peak=1398 ppm1=7.648 ppm2=1.899

assign ( resid 78 and name HN
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.8 0.8 0.8 volume=0.373 peak=1399 ppm1=8.206 ppm2=1.753

assign ( resid 18 and name HN
  or resid 32 and name HN
  or resid 65 and name HN
  )
       ( resid 17 and name HB
  or resid 54 and name HB2
  or resid 75 and name HB3
  or resid 75 and name HB2
  ) 3.8 0.8 0.8 volume=0.337 peak=1400 ppm1=8.628 ppm2=2.255

assign ( resid 11 and name HN
  )
       ( resid 10 and name HG3
  or resid 34 and name HB3
  ) 3.8 0.8 0.8 volume=0.362 peak=1401 ppm1=8.762 ppm2=2.546

assign ( resid 71 and name HN
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  ) 3.8 0.8 0.8 volume=0.347 peak=1402 ppm1=8.873 ppm2=2.843

assign ( resid 72 and name HN
  )
       ( resid 15 and name HA
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 3.7 0.7 0.7 volume=0.404 peak=1403 ppm1=9.334 ppm2=3.704

assign ( resid 22 and name HA
  )
       ( resid 5 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 79 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.8 0.8 0.8 volume=0.375 peak=1404 ppm1=6.023 ppm2=4.228

assign ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  )
       ( resid 22 and name HA
  ) 3.7 0.7 0.7 volume=0.408 peak=1405 ppm1=8.889 ppm2=6.030

assign ( resid 24 and name HN
  or resid 40 and name HN
  or resid 42 and name HN
  )
       ( resid 14 and name HE22
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 95 and name HD21
  ) 3.7 0.7 0.7 volume=0.495 peak=1406 ppm1=9.001 ppm2=6.931

assign ( resid 82 and name HN
  )
       ( resid 27 and name HN
  or resid 57 and name HD21
  or resid 83 and name HN
  ) 3.0 0.6 0.6 volume=1.398 peak=1407 ppm1=9.252 ppm2=7.195

assign ( resid 26 and name HN
  )
       ( resid 27 and name HN
  or resid 57 and name HD21
  or resid 83 and name HN
  ) 3.0 0.6 0.6 volume=1.578 peak=1408 ppm1=8.294 ppm2=7.180

assign ( resid 9 and name HN
  or resid 58 and name HN
  )
       ( resid 8 and name HN
  or resid 52 and name HN
  or resid 64 and name HD21
  ) 3.8 0.8 0.8 volume=0.335 peak=1409 ppm1=8.547 ppm2=7.947

assign ( resid 7 and name HN
  or resid 98 and name HN
  )
       ( resid 8 and name HN
  or resid 52 and name HN
  or resid 64 and name HD21
  ) 3.8 0.8 0.8 volume=0.379 peak=1410 ppm1=8.299 ppm2=7.949

assign ( resid 81 and name HN
  )
       ( resid 18 and name HE21
  or resid 68 and name HD21
  or resid 80 and name HN
  ) 3.1 0.6 0.6 volume=1.256 peak=1411 ppm1=8.440 ppm2=7.718

assign ( resid 72 and name HN
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  ) 3.8 0.8 0.8 volume=0.365 peak=1412 ppm1=9.341 ppm2=7.649

assign ( resid 40 and name HN
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  ) 3.3 0.7 0.7 volume=0.812 peak=1413 ppm1=9.002 ppm2=7.647

assign ( resid 32 and name HN
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  ) 3.2 0.6 0.6 volume=0.936 peak=1414 ppm1=8.618 ppm2=7.654

assign ( resid 34 and name HN
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  ) 3.2 0.6 0.6 volume=1.069 peak=1415 ppm1=8.472 ppm2=7.655

assign ( resid 60 and name HN
  )
       ( resid 6 and name HN
  or resid 45 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 75 and name HN
  ) 3.2 0.6 0.6 volume=1.017 peak=1416 ppm1=8.892 ppm2=8.173

assign ( resid 76 and name HN
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 68 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.0 0.6 0.6 volume=1.572 peak=1417 ppm1=9.433 ppm2=8.141

assign ( resid 76 and name HN
  )
       ( resid 37 and name HN
  or resid 77 and name HN
  ) 3.2 0.6 0.6 volume=0.922 peak=1418 ppm1=9.436 ppm2=8.056

assign ( resid 18 and name HN
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 102 and name HN
  ) 3.3 0.7 0.7 volume=0.763 peak=1419 ppm1=8.623 ppm2=8.224

assign ( resid 67 and name HN
  or resid 69 and name HN
  )
       ( resid 43 and name HN
  or resid 45 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 2.9 0.6 0.6 volume=1.928 peak=1420 ppm1=8.490 ppm2=8.162

assign ( resid 36 and name HN
  )
       ( resid 37 and name HN
  or resid 77 and name HN
  ) 3.3 0.7 0.7 volume=0.775 peak=1421 ppm1=8.724 ppm2=8.056

assign ( resid 22 and name HN
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.8 0.8 0.8 volume=0.347 peak=1422 ppm1=9.287 ppm2=8.492

assign ( resid 82 and name HN
  )
       ( resid 81 and name HN
  ) 3.0 0.6 0.6 volume=1.400 peak=1423 ppm1=9.252 ppm2=8.440

assign ( resid 9 and name HN
  or resid 58 and name HN
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.8 0.8 0.8 volume=0.371 peak=1424 ppm1=8.555 ppm2=8.885

assign ( resid 25 and name HN
  or resid 48 and name HN
  )
       ( resid 47 and name HN
  or resid 86 and name HN
  or resid 89 and name HN
  ) 3.6 0.7 0.7 volume=0.467 peak=1425 ppm1=8.388 ppm2=8.806

assign ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  )
       ( resid 22 and name HN
  ) 3.8 0.8 0.8 volume=0.335 peak=1426 ppm1=8.489 ppm2=9.294

assign ( resid 72 and name HD#
  or resid 91 and name HD22
  or resid 100 and name HD2
  )
       ( resid 73 and name HN
  ) 3.9 0.8 0.8 volume=0.393 peak=1427 ppm1=6.974 ppm2=9.569

assign ( resid 4 and name HE1
  or resid 85 and name HN
  or resid 88 and name HN
  )
       ( resid 11 and name HN
  or resid 36 and name HN
  or resid 89 and name HN
  ) 3.7 0.7 0.7 volume=0.408 peak=1428 ppm1=7.799 ppm2=8.767

assign ( resid 37 and name HN
  )
       ( resid 36 and name HN
  ) 3.5 0.7 0.7 volume=0.626 peak=1429 ppm1=8.058 ppm2=8.730

assign ( resid 30 and name HN
  )
       ( resid 10 and name HN
  or resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.7 0.7 0.7 volume=0.409 peak=1430 ppm1=8.018 ppm2=8.378

assign ( resid 8 and name HN
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.7 0.7 0.7 volume=0.387 peak=1431 ppm1=7.946 ppm2=8.546

assign ( resid 3 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.8 0.8 0.8 volume=0.385 peak=1432 ppm1=4.275 ppm2=8.485

assign ( resid 15 and name HD2
  or resid 24 and name HA
  or resid 31 and name HD2
  or resid 80 and name HA2
  or resid 87 and name HD2
  )
       ( resid 18 and name HE21
  or resid 80 and name HN
  ) 3.7 0.7 0.7 volume=0.449 peak=1433 ppm1=4.098 ppm2=7.716

assign ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  )
       ( resid 29 and name HN
  or resid 54 and name HE22
  or resid 74 and name HE3
  or resid 74 and name HZ2
  ) 3.8 0.8 0.8 volume=0.341 peak=1434 ppm1=4.070 ppm2=7.530

assign ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 76 and name HB2
  )
       ( resid 6 and name HN
  or resid 45 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 75 and name HN
  ) 3.7 0.7 0.7 volume=0.436 peak=1435 ppm1=3.185 ppm2=8.170

assign ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 66 and name HA1
  or resid 76 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  )
       ( resid 73 and name HN
  ) 3.7 0.7 0.7 volume=0.443 peak=1436 ppm1=3.174 ppm2=9.566

assign ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 75 and name HG3
  )
       ( resid 47 and name HN
  or resid 86 and name HN
  or resid 89 and name HN
  ) 3.7 0.7 0.7 volume=0.421 peak=1437 ppm1=2.415 ppm2=8.816

assign ( resid 13 and name HB2
  or resid 47 and name HG3
  or resid 47 and name HG2
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.7 0.7 0.7 volume=0.448 peak=1438 ppm1=2.322 ppm2=8.545

assign ( resid 13 and name HB2
  or resid 47 and name HG3
  or resid 47 and name HG2
  )
       ( resid 10 and name HN
  or resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.7 0.7 0.7 volume=0.388 peak=1439 ppm1=2.324 ppm2=8.381

assign ( resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.6 0.7 0.7 volume=0.464 peak=1440 ppm1=2.665 ppm2=8.489

assign ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 76 and name HB2
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  ) 3.5 0.7 0.7 volume=0.566 peak=1441 ppm1=3.180 ppm2=8.014

assign ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 76 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  ) 3.5 0.7 0.7 volume=0.565 peak=1442 ppm1=3.171 ppm2=8.014

assign ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 98 and name HB2
  )
       ( resid 37 and name HN
  or resid 77 and name HN
  ) 3.2 0.6 0.6 volume=0.976 peak=1443 ppm1=2.644 ppm2=8.056

assign ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 98 and name HB2
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  ) 3.4 0.7 0.7 volume=0.648 peak=1444 ppm1=2.644 ppm2=8.203

assign ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  )
       ( resid 46 and name HN
  ) 3.7 0.7 0.7 volume=0.431 peak=1445 ppm1=2.731 ppm2=9.746

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 106 and name HB2
  )
       ( resid 82 and name HN
  ) 3.7 0.7 0.7 volume=0.419 peak=1446 ppm1=1.871 ppm2=9.254

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  )
       ( resid 22 and name HN
  ) 3.5 0.7 0.7 volume=0.576 peak=1447 ppm1=1.578 ppm2=9.288

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 22 and name HN
  ) 3.7 0.7 0.7 volume=0.450 peak=1448 ppm1=1.510 ppm2=9.291

assign ( resid 55 and name HB#
  or resid 59 and name HG12
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.9 0.8 0.8 volume=0.441 peak=1449 ppm1=1.330 ppm2=8.890

assign ( resid 29 and name HD3
  or resid 40 and name HB3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.7 0.7 0.7 volume=0.433 peak=1450 ppm1=1.413 ppm2=8.887

assign ( resid 22 and name HD1#
  or resid 55 and name HB#
  or resid 59 and name HG12
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 4.0 0.8 0.8 volume=0.483 peak=1451 ppm1=1.347 ppm2=8.883

assign ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.5 0.7 0.7 volume=0.564 peak=1452 ppm1=1.461 ppm2=8.545

assign ( resid 13 and name HG3
  or resid 21 and name HB2
  or resid 29 and name HB2
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.6 0.7 0.7 volume=0.489 peak=1453 ppm1=1.556 ppm2=8.551

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.5 0.7 0.7 volume=0.560 peak=1454 ppm1=1.582 ppm2=8.494

assign ( resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HB3
  or resid 97 and name HB3
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.6 0.7 0.7 volume=0.477 peak=1455 ppm1=1.565 ppm2=8.496

assign ( resid 67 and name HB
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.2 0.6 0.6 volume=1.033 peak=1456 ppm1=2.174 ppm2=8.488

assign ( resid 75 and name HG2
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 68 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.7 0.7 0.7 volume=0.405 peak=1457 ppm1=2.381 ppm2=8.145

assign ( resid 75 and name HG3
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.5 0.7 0.7 volume=0.610 peak=1458 ppm1=2.417 ppm2=8.138

assign ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 79 and name HB3
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  )
       ( resid 33 and name HN
  or resid 41 and name HN
  or resid 44 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  or resid 95 and name HD22
  ) 3.4 0.7 0.7 volume=0.679 peak=1459 ppm1=1.676 ppm2=7.627

assign ( resid 8 and name HG
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 99 and name HB3
  )
       ( resid 33 and name HN
  or resid 41 and name HN
  or resid 44 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  or resid 95 and name HD22
  ) 3.7 0.7 0.7 volume=0.451 peak=1460 ppm1=1.660 ppm2=7.628

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HB3
  )
       ( resid 44 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  or resid 95 and name HD22
  ) 3.4 0.7 0.7 volume=0.706 peak=1461 ppm1=1.574 ppm2=7.606

assign ( resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  )
       ( resid 71 and name HE#
  or resid 74 and name HD1
  or resid 74 and name HH2
  or resid 101 and name HZ
  ) 3.8 0.8 0.8 volume=0.460 peak=1462 ppm1=2.152 ppm2=7.278

assign ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  )
       ( resid 71 and name HE#
  or resid 74 and name HD1
  or resid 74 and name HH2
  ) 3.5 0.7 0.7 volume=0.685 peak=1463 ppm1=2.440 ppm2=7.276

assign ( resid 12 and name HG
  or resid 83 and name HG3
  )
       ( resid 27 and name HN
  or resid 57 and name HD21
  or resid 83 and name HN
  ) 3.6 0.7 0.7 volume=0.458 peak=1464 ppm1=1.274 ppm2=7.197

assign ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  )
       ( resid 23 and name HN
  ) 4.0 0.8 0.8 volume=0.554 peak=1465 ppm1=1.035 ppm2=9.599

assign ( resid 10 and name HG3
  or resid 34 and name HB3
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  ) 3.4 0.7 0.7 volume=0.701 peak=1466 ppm1=2.536 ppm2=4.487

assign ( resid 26 and name HB2
  or resid 33 and name HB2
  )
       ( resid 33 and name HA
  ) 2.9 0.6 0.6 volume=1.807 peak=1467 ppm1=3.263 ppm2=4.872

assign ( resid 15 and name HD3
  or resid 43 and name HA
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.1 0.6 0.6 volume=1.293 peak=1468 ppm1=3.588 ppm2=4.366

assign ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 30 and name HB3
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.2 0.6 0.6 volume=0.985 peak=1469 ppm1=3.149 ppm2=4.268

assign ( resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.4 0.7 0.7 volume=0.752 peak=1470 ppm1=3.138 ppm2=4.264

assign ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 79 and name HG
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  )
       ( resid 43 and name HG2#
  ) 4.0 0.8 0.8 volume=0.752 peak=1471 ppm1=1.716 ppm2=-0.124

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  )
       ( resid 43 and name HG2#
  ) 4.0 0.8 0.8 volume=0.836 peak=1472 ppm1=1.583 ppm2=-0.124

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 43 and name HG2#
  ) 3.7 0.7 0.7 volume=1.212 peak=1473 ppm1=1.523 ppm2=-0.123

assign ( resid 15 and name HD3
  or resid 43 and name HA
  )
       ( resid 43 and name HG2#
  ) 3.8 0.8 0.8 volume=1.069 peak=1474 ppm1=3.602 ppm2=-0.123

assign ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 70 and name HB#
  )
       ( resid 43 and name HG2#
  ) 3.9 0.8 0.8 volume=1.678 peak=1475 ppm1=1.011 ppm2=-0.122

assign ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 79 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  )
       ( resid 4 and name HA
  or resid 7 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.5 0.7 0.7 volume=0.611 peak=1476 ppm1=1.698 ppm2=4.571

assign ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 29 and name HD3
  or resid 44 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 7 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.3 0.7 0.7 volume=0.805 peak=1477 ppm1=1.446 ppm2=4.569

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  )
       ( resid 2 and name HA
  or resid 34 and name HA
  or resid 69 and name HA
  or resid 70 and name HA
  ) 3.5 0.7 0.7 volume=0.613 peak=1478 ppm1=1.585 ppm2=4.511

assign ( resid 22 and name HD1#
  )
       ( resid 2 and name HA
  or resid 34 and name HA
  or resid 69 and name HA
  or resid 70 and name HA
  ) 3.6 0.7 0.7 volume=1.474 peak=1479 ppm1=1.356 ppm2=4.511

assign ( resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  ) 3.0 0.6 0.6 volume=1.334 peak=1480 ppm1=1.741 ppm2=4.464

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 15 and name HG3
  or resid 25 and name HG2
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB2
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  ) 3.1 0.6 0.6 volume=1.222 peak=1481 ppm1=1.614 ppm2=4.463

assign ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 70 and name HB#
  )
       ( resid 2 and name HA
  or resid 34 and name HA
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 100 and name HA
  ) 3.1 0.6 0.6 volume=2.383 peak=1482 ppm1=1.011 ppm2=4.513

assign ( resid 26 and name HB3
  or resid 57 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.5 0.7 0.7 volume=0.610 peak=1483 ppm1=2.834 ppm2=4.060

assign ( resid 27 and name HB3
  or resid 57 and name HB3
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  ) 3.4 0.7 0.7 volume=0.648 peak=1484 ppm1=2.496 ppm2=4.252

assign ( resid 27 and name HB3
  or resid 57 and name HB3
  )
       ( resid 24 and name HA
  or resid 52 and name HA2
  or resid 87 and name HD2
  ) 3.5 0.7 0.7 volume=0.591 peak=1485 ppm1=2.500 ppm2=4.120

assign ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.2 0.6 0.6 volume=1.080 peak=1486 ppm1=1.954 ppm2=4.046

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HG2
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.5 0.7 0.7 volume=0.626 peak=1487 ppm1=1.886 ppm2=4.042

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 106 and name HB2
  )
       ( resid 29 and name HA
  or resid 35 and name HB3
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  ) 2.7 0.5 0.5 volume=2.787 peak=1488 ppm1=1.850 ppm2=4.032

assign ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  )
       ( resid 15 and name HA
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 3.2 0.6 0.6 volume=0.966 peak=1489 ppm1=1.981 ppm2=3.700

assign ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 81 and name HB2
  or resid 87 and name HB3
  )
       ( resid 15 and name HD3
  or resid 43 and name HA
  ) 3.3 0.7 0.7 volume=0.835 peak=1490 ppm1=2.129 ppm2=3.595

assign ( resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  )
       ( resid 15 and name HD3
  or resid 43 and name HA
  ) 3.5 0.7 0.7 volume=0.693 peak=1491 ppm1=2.145 ppm2=3.587

assign ( resid 7 and name HB3
  or resid 7 and name HB2
  or resid 23 and name HB2
  or resid 71 and name HB3
  or resid 72 and name HB2
  or resid 98 and name HB2
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  ) 3.4 0.7 0.7 volume=0.739 peak=1492 ppm1=2.620 ppm2=3.477

assign ( resid 7 and name HB3
  or resid 23 and name HB2
  or resid 40 and name HE2
  or resid 71 and name HB3
  or resid 72 and name HB2
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  ) 3.3 0.7 0.7 volume=0.814 peak=1493 ppm1=2.602 ppm2=3.478

assign ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  )
       ( resid 58 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  ) 3.3 0.7 0.7 volume=0.864 peak=1494 ppm1=2.657 ppm2=3.350

assign ( resid 3 and name HB3
  or resid 10 and name HB3
  or resid 13 and name HD3
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 104 and name HB2
  or resid 105 and name HB3
  )
       ( resid 26 and name HB2
  or resid 36 and name HB3
  or resid 41 and name HD2
  or resid 41 and name HD3
  ) 3.1 0.6 0.6 volume=1.301 peak=1495 ppm1=1.787 ppm2=3.300

assign ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 58 and name HB3
  or resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 3.4 0.7 0.7 volume=0.674 peak=1496 ppm1=1.464 ppm2=3.368

assign ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 29 and name HD3
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  )
       ( resid 58 and name HB3
  or resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 3.5 0.7 0.7 volume=0.558 peak=1497 ppm1=1.450 ppm2=3.366

assign ( resid 12 and name HD1#
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 81 and name HB2
  ) 4.1 0.8 0.8 volume=0.775 peak=1498 ppm1=0.618 ppm2=2.122

assign ( resid 59 and name HD1#
  )
       ( resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  ) 3.5 0.7 0.7 volume=2.462 peak=1499 ppm1=0.582 ppm2=1.067

assign ( resid 59 and name HD1#
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 3.7 0.7 0.7 volume=2.491 peak=1500 ppm1=0.580 ppm2=1.014

assign ( resid 12 and name HD1#
  )
       ( resid 12 and name HG
  or resid 59 and name HG12
  or resid 83 and name HG3
  ) 3.2 0.6 0.6 volume=2.737 peak=1501 ppm1=0.617 ppm2=1.302

assign ( resid 43 and name HG1#
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  ) 3.6 0.7 0.7 volume=1.422 peak=1502 ppm1=0.450 ppm2=1.525

assign ( resid 21 and name HD1#
  or resid 59 and name HD1#
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.6 0.7 0.7 volume=1.451 peak=1503 ppm1=0.590 ppm2=1.580

assign ( resid 21 and name HD1#
  or resid 59 and name HD1#
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.2 0.6 0.6 volume=2.809 peak=1504 ppm1=0.592 ppm2=1.513

assign ( resid 45 and name HG1#
  )
       ( resid 12 and name HB2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 3.9 0.8 0.8 volume=0.861 peak=1505 ppm1=0.638 ppm2=2.070

assign ( resid 8 and name HG
  or resid 15 and name HG3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 92 and name HB2
  or resid 97 and name HG
  or resid 97 and name HB2
  )
       ( resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 2.8 0.6 0.6 volume=2.160 peak=1506 ppm1=1.624 ppm2=2.143

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 2.9 0.6 0.6 volume=2.135 peak=1507 ppm1=1.516 ppm2=2.145

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HB3
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.1 0.6 0.6 volume=1.366 peak=1508 ppm1=1.573 ppm2=2.129

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 15 and name HG3
  or resid 25 and name HG2
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB2
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 3.0 0.6 0.6 volume=1.424 peak=1509 ppm1=1.613 ppm2=2.088

assign ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 3.4 0.7 0.7 volume=0.741 peak=1510 ppm1=1.488 ppm2=2.091

assign ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  )
       ( resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  or resid 102 and name HG3
  ) 2.9 0.6 0.6 volume=2.483 peak=1511 ppm1=1.088 ppm2=2.167

assign ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 59 and name HG13
  )
       ( resid 15 and name HG2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 87 and name HB3
  or resid 102 and name HG3
  ) 3.0 0.6 0.6 volume=1.844 peak=1512 ppm1=1.245 ppm2=2.173

assign ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  )
       ( resid 45 and name HG1#
  ) 3.4 0.7 0.7 volume=1.998 peak=1513 ppm1=2.419 ppm2=0.633

assign ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 63 and name HD1#
  or resid 65 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HG2#
  ) 3.5 0.7 0.7 volume=1.368 peak=1514 ppm1=4.266 ppm2=0.945

assign ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  )
       ( resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  ) 3.6 0.7 0.7 volume=1.401 peak=1515 ppm1=4.259 ppm2=0.872

assign ( resid 9 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  )
       ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  ) 3.8 0.8 0.8 volume=1.000 peak=1516 ppm1=4.321 ppm2=0.838

assign ( resid 3 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  ) 3.8 0.8 0.8 volume=0.615 peak=1517 ppm1=4.283 ppm2=0.775

assign ( resid 37 and name HA
  or resid 65 and name HA
  or resid 80 and name HA1
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  ) 3.1 0.6 0.6 volume=1.568 peak=1518 ppm1=3.999 ppm2=1.086

assign ( resid 37 and name HA
  or resid 65 and name HA
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 40 and name HD3
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 3.4 0.7 0.7 volume=1.273 peak=1519 ppm1=4.001 ppm2=1.043

assign ( resid 37 and name HA
  or resid 65 and name HA
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 65 and name HG2#
  ) 3.6 0.7 0.7 volume=1.103 peak=1520 ppm1=4.000 ppm2=0.968

assign ( resid 37 and name HA
  or resid 65 and name HA
  or resid 80 and name HA1
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 59 and name HG13
  ) 3.3 0.7 0.7 volume=1.008 peak=1521 ppm1=3.997 ppm2=1.245

assign ( resid 3 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.1 0.6 0.6 volume=1.129 peak=1522 ppm1=4.274 ppm2=1.762

assign ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.3 0.7 0.7 volume=0.904 peak=1523 ppm1=4.264 ppm2=1.756

assign ( resid 3 and name HA
  or resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.3 0.7 0.7 volume=0.828 peak=1524 ppm1=4.286 ppm2=1.998

assign ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.2 0.6 0.6 volume=0.966 peak=1525 ppm1=4.294 ppm2=1.992

assign ( resid 3 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 79 and name HG
  or resid 79 and name HB3
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 3.4 0.7 0.7 volume=0.693 peak=1526 ppm1=4.277 ppm2=1.703

assign ( resid 3 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 3.5 0.7 0.7 volume=0.574 peak=1527 ppm1=4.271 ppm2=1.674

assign ( resid 9 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 106 and name HA
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.4 0.7 0.7 volume=0.688 peak=1528 ppm1=4.328 ppm2=1.593

assign ( resid 3 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.5 0.7 0.7 volume=0.591 peak=1529 ppm1=4.277 ppm2=1.572

assign ( resid 29 and name HA
  or resid 35 and name HB3
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 106 and name HB2
  ) 2.9 0.6 0.6 volume=1.832 peak=1530 ppm1=4.040 ppm2=1.857

assign ( resid 26 and name HA
  or resid 29 and name HA
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  ) 3.4 0.7 0.7 volume=0.696 peak=1531 ppm1=4.043 ppm2=1.953

assign ( resid 37 and name HA
  or resid 65 and name HA
  )
       ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.4 0.7 0.7 volume=0.669 peak=1532 ppm1=4.002 ppm2=1.997

assign ( resid 3 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 106 and name HB2
  ) 3.4 0.7 0.7 volume=0.682 peak=1533 ppm1=4.271 ppm2=1.868

assign ( resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 65 and name HG2#
  or resid 79 and name HD1#
  or resid 89 and name HG2#
  ) 3.2 0.6 0.6 volume=2.156 peak=1534 ppm1=3.120 ppm2=0.948

assign ( resid 43 and name HA
  or resid 50 and name HB2
  )
       ( resid 43 and name HG1#
  ) 3.8 0.8 0.8 volume=1.045 peak=1535 ppm1=3.606 ppm2=0.451

assign ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.2 0.6 0.6 volume=1.023 peak=1536 ppm1=2.871 ppm2=1.502

assign ( resid 26 and name HB2
  or resid 36 and name HB3
  or resid 41 and name HD2
  or resid 41 and name HD3
  )
       ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 3.4 0.7 0.7 volume=0.668 peak=1537 ppm1=3.299 ppm2=1.920

assign ( resid 26 and name HB2
  or resid 36 and name HB3
  or resid 41 and name HD2
  or resid 41 and name HD3
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 106 and name HB2
  ) 3.4 0.7 0.7 volume=0.719 peak=1538 ppm1=3.299 ppm2=1.864

assign ( resid 36 and name HB3
  or resid 41 and name HD2
  or resid 41 and name HD3
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 13 and name HD3
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 104 and name HB2
  or resid 105 and name HB2
  or resid 105 and name HB3
  ) 3.1 0.6 0.6 volume=1.109 peak=1539 ppm1=3.303 ppm2=1.786

assign ( resid 26 and name HB2
  or resid 33 and name HB2
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 33 and name HB3
  or resid 57 and name HB3
  or resid 69 and name HB2
  ) 2.8 0.6 0.6 volume=2.216 peak=1540 ppm1=3.267 ppm2=2.467

assign ( resid 6 and name HB2
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 82 and name HA
  )
       ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 3.2 0.6 0.6 volume=1.036 peak=1541 ppm1=3.220 ppm2=2.421

assign ( resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  ) 3.2 0.6 0.6 volume=0.948 peak=1542 ppm1=3.133 ppm2=2.731

assign ( resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB3
  ) 2.8 0.6 0.6 volume=2.324 peak=1543 ppm1=3.203 ppm2=2.724

assign ( resid 13 and name HE2
  or resid 30 and name HB3
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 76 and name HB2
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB3
  ) 2.8 0.6 0.6 volume=2.219 peak=1544 ppm1=3.191 ppm2=2.723

assign ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 76 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  )
       ( resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 91 and name HB3
  or resid 98 and name HB3
  ) 3.1 0.6 0.6 volume=1.325 peak=1545 ppm1=3.170 ppm2=2.672

assign ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  )
       ( resid 27 and name HB3
  or resid 33 and name HB3
  or resid 57 and name HB3
  ) 3.0 0.6 0.6 volume=1.586 peak=1546 ppm1=2.851 ppm2=2.488

assign ( resid 15 and name HD3
  or resid 43 and name HA
  )
       ( resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.4 0.7 0.7 volume=0.780 peak=1547 ppm1=3.591 ppm2=2.148

assign ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  )
       ( resid 7 and name HB3
  or resid 7 and name HB2
  or resid 23 and name HB2
  or resid 40 and name HE2
  or resid 71 and name HB3
  or resid 72 and name HB2
  or resid 98 and name HB2
  ) 3.4 0.7 0.7 volume=0.702 peak=1548 ppm1=3.476 ppm2=2.611

assign ( resid 31 and name HD3
  or resid 49 and name HA
  or resid 93 and name HA2
  or resid 93 and name HA1
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB3
  ) 3.5 0.7 0.7 volume=0.562 peak=1549 ppm1=3.949 ppm2=2.756

assign ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  )
       ( resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 91 and name HB3
  or resid 98 and name HB3
  ) 3.5 0.7 0.7 volume=0.632 peak=1550 ppm1=3.869 ppm2=2.674

assign ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 17 and name HB
  or resid 54 and name HB2
  or resid 75 and name HB3
  or resid 75 and name HB2
  ) 3.4 0.7 0.7 volume=0.751 peak=1551 ppm1=4.265 ppm2=2.254

assign ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 100 and name HB3
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 2.4 0.5 0.5 volume=6.165 peak=1552 ppm1=2.867 ppm2=3.002

assign ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  )
       ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 3.4 0.7 0.7 volume=0.717 peak=1553 ppm1=2.744 ppm2=2.425

assign ( resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 87 and name HB3
  or resid 102 and name HG3
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 59 and name HG13
  ) 3.0 0.6 0.6 volume=1.901 peak=1554 ppm1=2.175 ppm2=1.245

assign ( resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 87 and name HB3
  or resid 102 and name HG3
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  ) 2.9 0.6 0.6 volume=2.200 peak=1555 ppm1=2.172 ppm2=1.086

assign ( resid 13 and name HB2
  or resid 47 and name HG3
  or resid 47 and name HG2
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 106 and name HB2
  ) 2.9 0.6 0.6 volume=1.855 peak=1556 ppm1=2.319 ppm2=1.858

assign ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.3 0.7 0.7 volume=0.832 peak=1557 ppm1=4.073 ppm2=4.367

assign ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.0 0.6 0.6 volume=1.368 peak=1558 ppm1=4.065 ppm2=4.304

assign ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  )
       ( resid 24 and name HA
  or resid 52 and name HA2
  or resid 87 and name HD2
  ) 3.1 0.6 0.6 volume=1.207 peak=1559 ppm1=3.871 ppm2=4.122

assign ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 52 and name HA1
  or resid 78 and name HA
  or resid 94 and name HB2
  )
       ( resid 24 and name HA
  or resid 52 and name HA2
  or resid 87 and name HD2
  ) 3.2 0.6 0.6 volume=1.095 peak=1560 ppm1=3.847 ppm2=4.121

assign ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  )
       ( resid 7 and name HA
  or resid 35 and name HA
  ) 3.5 0.7 0.7 volume=0.581 peak=1561 ppm1=4.067 ppm2=4.619

assign ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  )
       ( resid 64 and name HA
  ) 3.3 0.7 0.7 volume=0.799 peak=1562 ppm1=2.857 ppm2=5.047

assign ( resid 15 and name HG2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 87 and name HB3
  or resid 102 and name HG3
  )
       ( resid 2 and name HA
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.5 0.7 0.7 volume=0.604 peak=1563 ppm1=2.170 ppm2=4.522

assign ( resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  )
       ( resid 5 and name HA
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.3 0.7 0.7 volume=0.823 peak=1564 ppm1=3.135 ppm2=4.215

assign ( resid 26 and name HB2
  or resid 33 and name HB2
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.2 0.6 0.6 volume=0.918 peak=1565 ppm1=3.270 ppm2=4.062

assign ( resid 20 and name HA1
  or resid 27 and name HB2
  )
       ( resid 24 and name HA
  or resid 52 and name HA2
  or resid 87 and name HD2
  ) 3.4 0.7 0.7 volume=0.675 peak=1566 ppm1=2.924 ppm2=4.120

assign ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  )
       ( resid 12 and name HA
  or resid 28 and name HA2
  or resid 87 and name HD3
  ) 3.4 0.7 0.7 volume=0.638 peak=1567 ppm1=1.754 ppm2=3.741

assign ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 78 and name HB3
  or resid 107 and name HB
  )
       ( resid 24 and name HA
  or resid 52 and name HA2
  or resid 87 and name HD2
  ) 2.7 0.5 0.5 volume=2.962 peak=1568 ppm1=2.100 ppm2=4.118

assign ( resid 12 and name HB2
  or resid 18 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 2.8 0.6 0.6 volume=2.456 peak=1569 ppm1=2.069 ppm2=4.064

assign ( resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  )
       ( resid 3 and name HA
  or resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.1 0.6 0.6 volume=2.052 peak=1570 ppm1=0.775 ppm2=4.281

assign ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 7 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.5 0.7 0.7 volume=1.789 peak=1571 ppm1=0.830 ppm2=4.569

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 65 and name HG2#
  )
       ( resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 3.3 0.7 0.7 volume=2.342 peak=1572 ppm1=0.949 ppm2=3.126

assign ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 3.0 0.6 0.6 volume=1.465 peak=1573 ppm1=1.986 ppm2=2.427

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 106 and name HB2
  )
       ( resid 13 and name HB2
  or resid 47 and name HG3
  or resid 47 and name HG2
  ) 2.9 0.6 0.6 volume=1.687 peak=1574 ppm1=1.860 ppm2=2.321

assign ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  )
       ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG2
  ) 2.8 0.6 0.6 volume=2.159 peak=1575 ppm1=2.091 ppm2=2.374

assign ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  )
       ( resid 13 and name HB2
  or resid 18 and name HG3
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  ) 2.8 0.6 0.6 volume=2.425 peak=1576 ppm1=2.094 ppm2=2.339

assign ( resid 12 and name HB2
  or resid 18 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  )
       ( resid 13 and name HB2
  or resid 18 and name HG3
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  ) 2.6 0.5 0.5 volume=3.545 peak=1577 ppm1=2.059 ppm2=2.341

assign ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  )
       ( resid 12 and name HB2
  or resid 18 and name HB2
  or resid 25 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 2.6 0.5 0.5 volume=3.252 peak=1578 ppm1=2.353 ppm2=2.068

assign ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 3.0 0.6 0.6 volume=1.554 peak=1579 ppm1=2.430 ppm2=1.979

assign ( resid 15 and name HG2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 87 and name HB3
  or resid 102 and name HG3
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 2.9 0.6 0.6 volume=1.744 peak=1580 ppm1=2.168 ppm2=2.443

assign ( resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 2.9 0.6 0.6 volume=1.981 peak=1581 ppm1=2.151 ppm2=2.445

assign ( resid 9 and name HG13
  or resid 39 and name HB3
  or resid 40 and name HG2
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 2.6 0.5 0.5 volume=3.389 peak=1582 ppm1=1.113 ppm2=1.467

assign ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 2.8 0.6 0.6 volume=4.038 peak=1583 ppm1=1.035 ppm2=1.577

assign ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 70 and name HB#
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 2.9 0.6 0.6 volume=3.326 peak=1584 ppm1=1.014 ppm2=1.582

assign ( resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  )
       ( resid 21 and name HD1#
  or resid 59 and name HD1#
  ) 3.4 0.7 0.7 volume=2.860 peak=1585 ppm1=1.071 ppm2=0.580

assign ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 70 and name HB#
  )
       ( resid 21 and name HD1#
  or resid 59 and name HD1#
  ) 3.6 0.7 0.7 volume=2.492 peak=1586 ppm1=1.012 ppm2=0.578

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  )
       ( resid 21 and name HD1#
  or resid 59 and name HD1#
  ) 3.5 0.7 0.7 volume=1.655 peak=1587 ppm1=1.576 ppm2=0.586

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 59 and name HD1#
  ) 3.3 0.7 0.7 volume=2.369 peak=1588 ppm1=1.516 ppm2=0.590

assign ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  )
       ( resid 9 and name HG13
  or resid 39 and name HB3
  or resid 42 and name HG2
  ) 2.8 0.6 0.6 volume=2.200 peak=1589 ppm1=1.986 ppm2=1.128

assign ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  )
       ( resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  ) 3.2 0.6 0.6 volume=1.512 peak=1590 ppm1=1.950 ppm2=1.069

assign ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 40 and name HD3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 3.0 0.6 0.6 volume=2.482 peak=1591 ppm1=1.997 ppm2=1.041

assign ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 65 and name HG2#
  ) 3.1 0.6 0.6 volume=2.451 peak=1592 ppm1=1.995 ppm2=0.966

assign ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 103 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  )
       ( resid 9 and name HG13
  or resid 39 and name HB3
  or resid 42 and name HG2
  ) 3.0 0.6 0.6 volume=1.465 peak=1593 ppm1=1.773 ppm2=1.125

assign ( resid 17 and name HB
  or resid 75 and name HB3
  )
       ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 63 and name HD1#
  or resid 65 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HG2#
  ) 2.8 0.6 0.6 volume=6.931 peak=1594 ppm1=2.256 ppm2=0.941

assign ( resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 3.3 0.7 0.7 volume=2.973 peak=1595 ppm1=0.776 ppm2=1.033

assign ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  )
       ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.2 0.6 0.6 volume=2.863 peak=1596 ppm1=1.940 ppm2=0.910

assign ( resid 12 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  )
       ( resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.3 0.7 0.7 volume=2.531 peak=1597 ppm1=2.049 ppm2=0.879

assign ( resid 26 and name HB2
  or resid 33 and name HB2
  )
       ( resid 23 and name HN
  ) 4.0 0.8 0.8 volume=0.271 peak=1598 ppm1=3.264 ppm2=9.607

assign ( resid 36 and name HB3
  or resid 58 and name HB3
  or resid 74 and name HB3
  or resid 85 and name HA1
  )
       ( resid 23 and name HN
  ) 3.9 0.8 0.8 volume=0.316 peak=1599 ppm1=3.344 ppm2=9.599

assign ( resid 23 and name HB3
  or resid 30 and name HB2
  )
       ( resid 23 and name HN
  ) 3.8 0.8 0.8 volume=0.343 peak=1600 ppm1=3.490 ppm2=9.606

assign ( resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  )
       ( resid 4 and name HE1
  or resid 85 and name HN
  or resid 88 and name HN
  or resid 107 and name HN
  ) 3.5 0.7 0.7 volume=0.579 peak=1601 ppm1=2.666 ppm2=7.783

assign ( resid 27 and name HB3
  or resid 33 and name HB3
  or resid 57 and name HB3
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.7 0.7 0.7 volume=0.437 peak=1602 ppm1=2.483 ppm2=8.556

assign ( resid 60 and name HB
  )
       ( resid 6 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 78 and name HN
  ) 3.7 0.7 0.7 volume=0.393 peak=1603 ppm1=2.122 ppm2=8.192

assign ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 81 and name HB2
  )
       ( resid 6 and name HN
  or resid 45 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 75 and name HN
  ) 3.6 0.7 0.7 volume=0.554 peak=1604 ppm1=2.118 ppm2=8.171

assign ( resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  ) 3.4 0.7 0.7 volume=0.650 peak=1605 ppm1=2.082 ppm2=8.202

assign ( resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.7 0.7 0.7 volume=0.391 peak=1606 ppm1=2.161 ppm2=8.245

assign ( resid 17 and name HB
  or resid 54 and name HB2
  or resid 75 and name HB3
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 102 and name HN
  ) 3.6 0.7 0.7 volume=0.462 peak=1607 ppm1=2.254 ppm2=8.221

assign ( resid 8 and name HG
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 99 and name HB3
  )
       ( resid 72 and name HE#
  ) 4.0 0.8 0.8 volume=0.496 peak=1608 ppm1=1.661 ppm2=6.889

assign ( resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HB3
  or resid 97 and name HB3
  )
       ( resid 72 and name HE#
  ) 3.8 0.8 0.8 volume=0.672 peak=1609 ppm1=1.563 ppm2=6.889

assign ( resid 6 and name HE#
  or resid 51 and name HD#
  or resid 71 and name HZ
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 69 and name HB2
  ) 4.2 0.8 0.8 volume=0.301 peak=1610 ppm1=7.321 ppm2=2.452

assign ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 107 and name HA
  )
       ( resid 10 and name HA
  or resid 36 and name HA
  or resid 46 and name HA
  ) 3.6 0.7 0.7 volume=0.461 peak=1611 ppm1=4.068 ppm2=4.939

assign ( resid 5 and name HB2
  or resid 10 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  )
       ( resid 41 and name HA
  ) 3.5 0.7 0.7 volume=0.567 peak=1612 ppm1=1.933 ppm2=5.063

assign ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 70 and name HB#
  )
       ( resid 21 and name HA
  ) 4.1 0.8 0.8 volume=0.418 peak=1613 ppm1=1.011 ppm2=5.240

assign ( resid 12 and name HD1#
  )
       ( resid 73 and name HA
  or resid 87 and name HA
  ) 4.4 0.9 0.9 volume=0.445 peak=1614 ppm1=0.616 ppm2=5.096

assign ( resid 5 and name HB2
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  )
       ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 3.8 0.8 0.8 volume=0.376 peak=1615 ppm1=1.901 ppm2=2.876

assign ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 89 and name HB
  or resid 102 and name HB3
  )
       ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 3.5 0.7 0.7 volume=0.555 peak=1616 ppm1=1.922 ppm2=2.870

assign ( resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  )
       ( resid 13 and name HB2
  or resid 47 and name HG3
  or resid 47 and name HG2
  ) 3.6 0.7 0.7 volume=0.534 peak=1617 ppm1=1.560 ppm2=2.317

assign ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 3.2 0.6 0.6 volume=1.006 peak=1618 ppm1=1.495 ppm2=2.868

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  )
       ( resid 26 and name HB2
  or resid 36 and name HB3
  or resid 41 and name HD2
  or resid 41 and name HD3
  ) 3.4 0.7 0.7 volume=0.724 peak=1619 ppm1=1.876 ppm2=3.298

assign ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  )
       ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 63 and name HD1#
  or resid 65 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HG2#
  or resid 107 and name HG2#
  ) 4.1 0.8 0.8 volume=0.712 peak=1620 ppm1=2.353 ppm2=0.938

assign ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  )
       ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.1 0.8 0.8 volume=0.717 peak=1621 ppm1=2.420 ppm2=0.918

assign ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG2
  )
       ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.8 0.8 0.8 volume=1.129 peak=1622 ppm1=2.379 ppm2=0.910

assign ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  )
       ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.2 0.8 0.8 volume=0.627 peak=1623 ppm1=2.353 ppm2=0.908

assign ( resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  )
       ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.2 0.8 0.8 volume=0.574 peak=1624 ppm1=2.675 ppm2=0.909

assign ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  )
       ( resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.1 0.8 0.8 volume=0.673 peak=1625 ppm1=2.664 ppm2=0.881

assign ( resid 9 and name HG13
  or resid 39 and name HB3
  or resid 42 and name HG2
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 13 and name HD3
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 104 and name HB2
  or resid 105 and name HB3
  ) 3.2 0.6 0.6 volume=1.038 peak=1626 ppm1=1.128 ppm2=1.791

assign ( resid 9 and name HG13
  or resid 39 and name HB3
  or resid 42 and name HG2
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 2.9 0.6 0.6 volume=1.635 peak=1627 ppm1=1.127 ppm2=1.762

assign ( resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  )
       ( resid 8 and name HG
  or resid 15 and name HG3
  or resid 25 and name HG2
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 83 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB2
  or resid 97 and name HG
  or resid 97 and name HB2
  ) 2.8 0.6 0.6 volume=2.705 peak=1628 ppm1=2.145 ppm2=1.624

assign ( resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 2.8 0.6 0.6 volume=2.451 peak=1629 ppm1=2.146 ppm2=1.514

assign ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  )
       ( resid 29 and name HD3
  or resid 40 and name HB3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.0 0.6 0.6 volume=1.513 peak=1630 ppm1=1.993 ppm2=1.413

assign ( resid 12 and name HB2
  or resid 40 and name HB2
  or resid 56 and name HB2
  )
       ( resid 22 and name HD1#
  or resid 40 and name HB3
  or resid 87 and name HG3
  or resid 89 and name HG13
  ) 3.1 0.6 0.6 volume=1.531 peak=1631 ppm1=2.029 ppm2=1.379

assign ( resid 15 and name HG2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 87 and name HB3
  or resid 102 and name HG3
  )
       ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 2.9 0.6 0.6 volume=5.305 peak=1632 ppm1=2.168 ppm2=0.912

assign ( resid 4 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 78 and name HD3
  or resid 100 and name HB2
  or resid 101 and name HB3
  )
       ( resid 10 and name HG3
  or resid 34 and name HB3
  ) 2.7 0.5 0.5 volume=2.771 peak=1633 ppm1=3.035 ppm2=2.548

assign ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  )
       ( resid 8 and name HG
  or resid 15 and name HG3
  or resid 25 and name HG2
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 83 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB2
  or resid 97 and name HG
  or resid 97 and name HB2
  ) 2.7 0.5 0.5 volume=2.633 peak=1634 ppm1=2.960 ppm2=1.624

assign ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 2.9 0.6 0.6 volume=1.942 peak=1635 ppm1=2.960 ppm2=1.594

assign ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  )
       ( resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HB3
  or resid 97 and name HB3
  ) 2.9 0.6 0.6 volume=1.920 peak=1636 ppm1=2.961 ppm2=1.560

assign ( resid 79 and name HN
  )
       ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 94 and name HB3
  or resid 94 and name HB2
  ) 3.9 0.8 0.8 volume=0.320 peak=1637 ppm1=7.624 ppm2=3.871

assign ( resid 4 and name HD2
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 72 and name HE#
  )
       ( resid 44 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  or resid 91 and name HD21
  or resid 95 and name HD22
  ) 3.5 0.7 0.7 volume=0.739 peak=1638 ppm1=6.888 ppm2=7.602

assign ( resid 84 and name HN
  )
       ( resid 27 and name HN
  or resid 57 and name HD21
  or resid 83 and name HN
  ) 3.0 0.6 0.6 volume=1.343 peak=1639 ppm1=7.559 ppm2=7.197

assign ( resid 51 and name HD#
  or resid 71 and name HZ
  )
       ( resid 14 and name HE22
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 95 and name HD21
  ) 3.3 0.7 0.7 volume=1.458 peak=1640 ppm1=7.327 ppm2=6.930

assign ( resid 28 and name HN
  )
       ( resid 29 and name HN
  or resid 54 and name HE22
  or resid 74 and name HE3
  or resid 74 and name HZ2
  ) 3.4 0.7 0.7 volume=0.665 peak=1641 ppm1=7.919 ppm2=7.528

assign ( resid 24 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG2
  )
       ( resid 24 and name HA
  or resid 52 and name HA2
  or resid 87 and name HD2
  ) 3.6 0.7 0.7 volume=0.471 peak=1642 ppm1=2.390 ppm2=4.122

assign ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG2
  )
       ( resid 24 and name HA
  or resid 52 and name HA2
  or resid 87 and name HD2
  ) 3.5 0.7 0.7 volume=0.590 peak=1643 ppm1=2.378 ppm2=4.119

assign ( resid 13 and name HB2
  or resid 18 and name HG3
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  )
       ( resid 24 and name HA
  or resid 52 and name HA2
  or resid 87 and name HD2
  ) 3.7 0.7 0.7 volume=0.438 peak=1644 ppm1=2.341 ppm2=4.120

assign ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  )
       ( resid 24 and name HA
  or resid 52 and name HA2
  or resid 87 and name HD2
  ) 3.6 0.7 0.7 volume=0.474 peak=1645 ppm1=1.995 ppm2=4.123

assign ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 79 and name HG
  or resid 79 and name HB3
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  )
       ( resid 29 and name HA
  or resid 35 and name HB3
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 65 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.4 0.7 0.7 volume=0.640 peak=1646 ppm1=1.708 ppm2=4.031

assign ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  )
       ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 94 and name HB3
  ) 3.6 0.7 0.7 volume=0.519 peak=1647 ppm1=1.755 ppm2=3.874

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 106 and name HB2
  )
       ( resid 15 and name HA
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 3.6 0.7 0.7 volume=0.498 peak=1648 ppm1=1.865 ppm2=3.701

assign ( resid 8 and name HG
  or resid 15 and name HG3
  or resid 25 and name HG2
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB2
  or resid 97 and name HG
  or resid 97 and name HB2
  )
       ( resid 15 and name HD3
  or resid 43 and name HA
  ) 3.7 0.7 0.7 volume=0.415 peak=1649 ppm1=1.619 ppm2=3.584

assign ( resid 8 and name HG
  or resid 15 and name HG3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 83 and name HB3
  or resid 92 and name HB2
  or resid 97 and name HB2
  )
       ( resid 58 and name HB3
  or resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 3.7 0.7 0.7 volume=0.389 peak=1650 ppm1=1.629 ppm2=3.363

assign ( resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HB3
  )
       ( resid 58 and name HB3
  or resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 3.5 0.7 0.7 volume=0.560 peak=1651 ppm1=1.567 ppm2=3.363

assign ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 59 and name HB
  or resid 83 and name HB2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  )
       ( resid 58 and name HB3
  or resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 3.7 0.7 0.7 volume=0.423 peak=1652 ppm1=1.965 ppm2=3.367

assign ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  )
       ( resid 58 and name HB3
  or resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 3.7 0.7 0.7 volume=0.428 peak=1653 ppm1=1.956 ppm2=3.366

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 26 and name HA
  or resid 29 and name HA
  or resid 35 and name HB3
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.4 0.7 0.7 volume=0.664 peak=1654 ppm1=1.499 ppm2=4.036

assign ( resid 9 and name HG12
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 26 and name HA
  or resid 29 and name HA
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.4 0.7 0.7 volume=0.753 peak=1655 ppm1=1.479 ppm2=4.038

assign ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 26 and name HA
  or resid 29 and name HA
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.4 0.7 0.7 volume=0.660 peak=1656 ppm1=1.464 ppm2=4.038

assign ( resid 29 and name HD3
  or resid 40 and name HB3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.5 0.7 0.7 volume=0.588 peak=1657 ppm1=1.409 ppm2=4.056

assign ( resid 40 and name HB3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.6 0.7 0.7 volume=0.455 peak=1658 ppm1=1.394 ppm2=4.050

assign ( resid 8 and name HG
  or resid 15 and name HG3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 83 and name HB3
  or resid 92 and name HB2
  or resid 97 and name HB2
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  ) 3.6 0.7 0.7 volume=0.475 peak=1659 ppm1=1.629 ppm2=4.087

assign ( resid 8 and name HG
  or resid 15 and name HG3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 92 and name HB2
  or resid 97 and name HG
  or resid 97 and name HB2
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.6 0.7 0.7 volume=0.493 peak=1660 ppm1=1.623 ppm2=4.067

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.4 0.7 0.7 volume=0.750 peak=1661 ppm1=1.583 ppm2=4.069

assign ( resid 8 and name HB2
  or resid 31 and name HG2
  or resid 63 and name HG
  or resid 79 and name HG
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 104 and name HB3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 31 and name HD2
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 87 and name HD2
  ) 3.7 0.7 0.7 volume=0.405 peak=1662 ppm1=1.723 ppm2=4.090

assign ( resid 87 and name HB2
  or resid 102 and name HG2
  or resid 102 and name HG3
  )
       ( resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.4 0.7 0.7 volume=0.719 peak=1663 ppm1=2.204 ppm2=4.213

assign ( resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  )
       ( resid 19 and name HB
  or resid 81 and name HA
  or resid 102 and name HA
  ) 3.2 0.6 0.6 volume=1.057 peak=1664 ppm1=2.148 ppm2=4.181

assign ( resid 8 and name HG
  or resid 15 and name HG3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 83 and name HB3
  or resid 92 and name HB2
  or resid 97 and name HG
  or resid 97 and name HB2
  )
       ( resid 28 and name HA1
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  ) 3.4 0.7 0.7 volume=0.729 peak=1665 ppm1=1.625 ppm2=4.409

assign ( resid 29 and name HE3
  or resid 64 and name HB3
  or resid 95 and name HB3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.6 0.7 0.7 volume=0.472 peak=1666 ppm1=2.790 ppm2=4.061

assign ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  ) 3.6 0.7 0.7 volume=0.520 peak=1667 ppm1=2.871 ppm2=3.478

assign ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  ) 3.0 0.6 0.6 volume=1.336 peak=1668 ppm1=2.876 ppm2=4.465

assign ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  ) 3.0 0.6 0.6 volume=1.376 peak=1669 ppm1=2.867 ppm2=4.464

assign ( resid 29 and name HG3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.6 0.7 0.7 volume=0.534 peak=1670 ppm1=0.400 ppm2=4.065

assign ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.6 0.7 0.7 volume=0.664 peak=1671 ppm1=1.088 ppm2=4.057

assign ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.7 0.7 0.7 volume=0.811 peak=1672 ppm1=1.038 ppm2=4.068

assign ( resid 29 and name HG2
  or resid 65 and name HG2#
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.8 0.8 0.8 volume=0.562 peak=1673 ppm1=0.985 ppm2=4.062

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 94 and name HB3
  ) 3.5 0.7 0.7 volume=0.601 peak=1674 ppm1=1.514 ppm2=3.874

assign ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 16 and name HA1
  or resid 78 and name HA
  or resid 94 and name HB2
  ) 3.4 0.7 0.7 volume=0.682 peak=1675 ppm1=1.474 ppm2=3.837

assign ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.3 0.9 0.9 volume=0.501 peak=1676 ppm1=3.468 ppm2=0.905

assign ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  ) 3.8 0.8 0.8 volume=0.485 peak=1677 ppm1=3.461 ppm2=1.084

assign ( resid 5 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 79 and name HA
  or resid 99 and name HA
  )
       ( resid 45 and name HG1#
  ) 4.4 0.9 0.9 volume=0.437 peak=1678 ppm1=4.234 ppm2=0.632

assign ( resid 1 and name HB3
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 94 and name HB3
  )
       ( resid 45 and name HG1#
  ) 4.5 0.9 0.9 volume=0.396 peak=1679 ppm1=3.892 ppm2=0.633

assign ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 4.0 0.8 0.8 volume=0.520 peak=1680 ppm1=4.063 ppm2=1.030

assign ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  )
       ( resid 29 and name HG2
  or resid 65 and name HG2#
  ) 3.9 0.8 0.8 volume=0.480 peak=1681 ppm1=4.062 ppm2=0.985

assign ( resid 19 and name HB
  or resid 81 and name HA
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.6 0.7 0.7 volume=0.479 peak=1682 ppm1=4.178 ppm2=1.515

assign ( resid 29 and name HA
  or resid 53 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  )
       ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.6 0.7 0.7 volume=0.485 peak=1683 ppm1=4.032 ppm2=1.484

assign ( resid 5 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 99 and name HA
  )
       ( resid 22 and name HD1#
  or resid 55 and name HB#
  or resid 59 and name HG12
  ) 3.8 0.8 0.8 volume=0.668 peak=1684 ppm1=4.237 ppm2=1.333

assign ( resid 3 and name HA
  or resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 77 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.7 0.7 0.7 volume=0.459 peak=1685 ppm1=4.284 ppm2=2.132

assign ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 3.7 0.7 0.7 volume=0.416 peak=1686 ppm1=4.298 ppm2=2.094

assign ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 16 and name HA1
  or resid 74 and name HA
  or resid 78 and name HA
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 63 and name HD1#
  or resid 65 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HG2#
  ) 4.2 0.8 0.8 volume=0.514 peak=1687 ppm1=3.816 ppm2=0.945

assign ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  )
       ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 63 and name HD1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG2#
  ) 4.3 0.9 0.9 volume=0.513 peak=1688 ppm1=3.867 ppm2=0.925

assign ( resid 13 and name HB2
  )
       ( resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 29 and name HB2
  or resid 32 and name HG13
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  ) 3.5 0.7 0.7 volume=0.628 peak=1689 ppm1=2.314 ppm2=1.554

assign ( resid 10 and name HB3
  or resid 13 and name HD3
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 104 and name HB2
  or resid 105 and name HB3
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 3.5 0.7 0.7 volume=0.540 peak=1690 ppm1=1.799 ppm2=2.436

assign ( resid 10 and name HB3
  or resid 13 and name HD3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 104 and name HB2
  or resid 105 and name HB3
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 3.6 0.7 0.7 volume=0.533 peak=1691 ppm1=1.811 ppm2=2.428

assign ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  ) 3.5 0.7 0.7 volume=0.562 peak=1692 ppm1=2.423 ppm2=2.743

assign ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 75 and name HG3
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB3
  ) 3.5 0.7 0.7 volume=0.587 peak=1693 ppm1=2.414 ppm2=2.727

assign ( resid 10 and name HG3
  or resid 34 and name HB3
  )
       ( resid 4 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 2.7 0.5 0.5 volume=3.004 peak=1694 ppm1=2.534 ppm2=3.033

assign ( resid 27 and name HB3
  or resid 57 and name HB3
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  ) 3.0 0.6 0.6 volume=1.408 peak=1695 ppm1=2.499 ppm2=2.851

assign ( resid 14 and name HG2
  or resid 14 and name HG3
  or resid 27 and name HB3
  or resid 33 and name HB3
  or resid 57 and name HB3
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  ) 3.0 0.6 0.6 volume=1.626 peak=1696 ppm1=2.480 ppm2=2.849

assign ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  ) 3.6 0.7 0.7 volume=0.490 peak=1697 ppm1=1.987 ppm2=2.841

assign ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 89 and name HB
  or resid 102 and name HB3
  )
       ( resid 26 and name HB2
  or resid 36 and name HB3
  or resid 41 and name HD2
  or resid 41 and name HD3
  ) 3.5 0.7 0.7 volume=0.545 peak=1698 ppm1=1.924 ppm2=3.302

assign ( resid 42 and name HG3
  or resid 60 and name HD1#
  )
       ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 3.8 0.8 0.8 volume=0.567 peak=1699 ppm1=0.781 ppm2=2.870

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 91 and name HB3
  or resid 98 and name HB3
  ) 3.6 0.7 0.7 volume=0.481 peak=1700 ppm1=1.516 ppm2=2.673

assign ( resid 9 and name HG13
  or resid 37 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HG2
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 3.7 0.7 0.7 volume=0.505 peak=1701 ppm1=1.109 ppm2=2.438

assign ( resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 3.7 0.7 0.7 volume=0.552 peak=1702 ppm1=1.086 ppm2=2.439

assign ( resid 45 and name HG2#
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  ) 4.1 0.8 0.8 volume=0.676 peak=1703 ppm1=0.792 ppm2=1.947

assign ( resid 21 and name HD2#
  )
       ( resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 40 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 87 and name HG2
  ) 4.3 0.9 0.9 volume=0.478 peak=1704 ppm1=0.720 ppm2=2.015

assign ( resid 90 and name HD1#
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 4.4 0.9 0.9 volume=0.461 peak=1705 ppm1=0.738 ppm2=1.980

assign ( resid 90 and name HD1#
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  ) 4.2 0.8 0.8 volume=0.565 peak=1706 ppm1=0.738 ppm2=1.952

assign ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 3.7 0.7 0.7 volume=0.903 peak=1707 ppm1=1.755 ppm2=1.038

assign ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 79 and name HG
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 3.7 0.7 0.7 volume=0.851 peak=1708 ppm1=1.715 ppm2=1.017

assign ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 45 and name HG2#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  )
       ( resid 9 and name HG13
  or resid 37 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HG2
  or resid 42 and name HG2
  ) 3.4 0.7 0.7 volume=2.284 peak=1709 ppm1=0.818 ppm2=1.112

assign ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 70 and name HB#
  )
       ( resid 43 and name HG1#
  ) 4.2 0.8 0.8 volume=1.045 peak=1710 ppm1=1.012 ppm2=0.450

assign ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  )
       ( resid 29 and name HG3
  ) 3.6 0.7 0.7 volume=0.955 peak=1711 ppm1=1.023 ppm2=0.393

assign ( resid 29 and name HG2
  or resid 65 and name HG2#
  )
       ( resid 29 and name HG3
  ) 3.2 0.6 0.6 volume=1.517 peak=1712 ppm1=0.985 ppm2=0.394

assign ( resid 12 and name HA
  or resid 28 and name HA2
  )
       ( resid 28 and name HA1
  or resid 75 and name HA
  or resid 94 and name HA
  ) 2.9 0.6 0.6 volume=1.634 peak=1713 ppm1=3.741 ppm2=4.422

assign ( resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  ) 3.4 0.7 0.7 volume=0.802 peak=1714 ppm1=2.141 ppm2=4.077

assign ( resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  )
       ( resid 87 and name HA
  ) 3.5 0.7 0.7 volume=0.564 peak=1715 ppm1=3.129 ppm2=5.091

assign ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 4.0 0.8 0.8 volume=0.798 peak=1716 ppm1=0.832 ppm2=8.548

assign ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 45 and name HG2#
  or resid 97 and name HD2#
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 4.3 0.9 0.9 volume=0.491 peak=1717 ppm1=0.817 ppm2=8.536

assign ( resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.9 0.8 0.8 volume=0.950 peak=1718 ppm1=0.874 ppm2=8.546

assign ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.6 0.7 0.7 volume=0.523 peak=1719 ppm1=1.950 ppm2=8.886

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 31 and name HG3
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.5 0.7 0.7 volume=0.619 peak=1720 ppm1=1.596 ppm2=8.248

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.5 0.7 0.7 volume=0.571 peak=1721 ppm1=1.577 ppm2=8.241

assign ( resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HB3
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 68 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.6 0.7 0.7 volume=0.515 peak=1722 ppm1=1.568 ppm2=8.141

assign ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  )
       ( resid 22 and name HN
  ) 3.8 0.8 0.8 volume=0.342 peak=1723 ppm1=1.751 ppm2=9.287

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 23 and name HN
  ) 3.9 0.8 0.8 volume=0.301 peak=1724 ppm1=1.508 ppm2=9.599

assign ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  )
       ( resid 24 and name HN
  or resid 40 and name HN
  or resid 42 and name HN
  ) 3.7 0.7 0.7 volume=0.430 peak=1725 ppm1=2.856 ppm2=9.009

assign ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.8 0.8 0.8 volume=0.333 peak=1726 ppm1=2.858 ppm2=8.878

assign ( resid 26 and name HB3
  or resid 57 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.8 0.8 0.8 volume=0.332 peak=1727 ppm1=2.838 ppm2=8.883

assign ( resid 19 and name HB
  or resid 81 and name HA
  or resid 102 and name HA
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.9 0.8 0.8 volume=0.285 peak=1728 ppm1=4.186 ppm2=8.123

assign ( resid 19 and name HB
  or resid 81 and name HA
  or resid 102 and name HA
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  or resid 101 and name HN
  ) 3.9 0.8 0.8 volume=0.309 peak=1729 ppm1=4.186 ppm2=7.987

assign ( resid 1 and name HB2
  or resid 1 and name HB3
  or resid 2 and name HB3
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 94 and name HB3
  )
       ( resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 100 and name HE1
  ) 3.9 0.8 0.8 volume=0.302 peak=1730 ppm1=3.890 ppm2=7.856

assign ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  )
       ( resid 74 and name HE3
  ) 3.7 0.7 0.7 volume=0.405 peak=1731 ppm1=3.464 ppm2=7.504

assign ( resid 10 and name HN
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.7 0.7 0.7 volume=0.409 peak=1732 ppm1=8.336 ppm2=8.554

assign ( resid 9 and name HN
  or resid 58 and name HN
  )
       ( resid 3 and name HN
  or resid 10 and name HN
  or resid 105 and name HN
  ) 3.7 0.7 0.7 volume=0.424 peak=1733 ppm1=8.555 ppm2=8.343

assign ( resid 82 and name HN
  )
       ( resid 18 and name HE21
  or resid 80 and name HN
  ) 4.0 0.8 0.8 volume=0.262 peak=1734 ppm1=9.254 ppm2=7.713

assign ( resid 35 and name HN
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  ) 3.6 0.7 0.7 volume=0.523 peak=1735 ppm1=8.375 ppm2=8.012

assign ( resid 71 and name HN
  or resid 90 and name HN
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.7 0.7 0.7 volume=0.392 peak=1736 ppm1=8.888 ppm2=8.240

assign ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  )
       ( resid 71 and name HE#
  or resid 74 and name HD1
  or resid 74 and name HH2
  or resid 101 and name HZ
  ) 4.0 0.8 0.8 volume=0.298 peak=1737 ppm1=8.492 ppm2=7.279

assign ( resid 81 and name HN
  )
       ( resid 27 and name HN
  or resid 57 and name HD21
  or resid 74 and name HZ3
  or resid 83 and name HN
  ) 3.9 0.8 0.8 volume=0.287 peak=1738 ppm1=8.442 ppm2=7.200

assign ( resid 72 and name HN
  )
       ( resid 14 and name HE22
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 95 and name HD21
  ) 3.7 0.7 0.7 volume=0.524 peak=1739 ppm1=9.337 ppm2=6.930

assign ( resid 38 and name HN
  )
       ( resid 39 and name HD2
  or resid 39 and name HD3
  or resid 50 and name HB2
  ) 3.8 0.8 0.8 volume=0.369 peak=1740 ppm1=8.484 ppm2=3.638

assign ( resid 42 and name HN
  )
       ( resid 15 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 4.0 0.8 0.8 volume=0.271 peak=1741 ppm1=9.000 ppm2=3.711

assign ( resid 25 and name HN
  or resid 48 and name HN
  )
       ( resid 13 and name HE2
  or resid 30 and name HB3
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 76 and name HB2
  ) 3.9 0.8 0.8 volume=0.310 peak=1742 ppm1=8.402 ppm2=3.197

assign ( resid 35 and name HN
  )
       ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 76 and name HB2
  ) 3.8 0.8 0.8 volume=0.369 peak=1743 ppm1=8.383 ppm2=3.184

assign ( resid 34 and name HN
  )
       ( resid 4 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 78 and name HD3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.7 0.7 0.7 volume=0.407 peak=1744 ppm1=8.474 ppm2=3.035

assign ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  )
       ( resid 13 and name HB2
  or resid 18 and name HG3
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  ) 3.6 0.7 0.7 volume=0.458 peak=1745 ppm1=4.061 ppm2=2.333

assign ( resid 19 and name HB
  or resid 81 and name HA
  )
       ( resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.7 0.7 0.7 volume=0.457 peak=1746 ppm1=4.182 ppm2=2.148

assign ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  )
       ( resid 23 and name HN
  ) 3.7 0.7 0.7 volume=0.400 peak=1747 ppm1=2.657 ppm2=9.598

assign ( resid 7 and name HB3
  or resid 7 and name HB2
  or resid 23 and name HB2
  or resid 71 and name HB3
  or resid 72 and name HB2
  or resid 98 and name HB2
  )
       ( resid 23 and name HN
  ) 3.8 0.8 0.8 volume=0.378 peak=1748 ppm1=2.622 ppm2=9.599

assign ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.6 0.7 0.7 volume=0.502 peak=1749 ppm1=3.870 ppm2=1.747

assign ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 94 and name HB3
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.7 0.7 0.7 volume=0.417 peak=1750 ppm1=3.877 ppm2=1.513

assign ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 16 and name HA1
  or resid 74 and name HA
  or resid 78 and name HA
  or resid 94 and name HB2
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 29 and name HD3
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.7 0.7 0.7 volume=0.408 peak=1751 ppm1=3.819 ppm2=1.447

assign ( resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 106 and name HA
  )
       ( resid 21 and name HB3
  or resid 22 and name HD2#
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  ) 3.9 0.8 0.8 volume=0.470 peak=1752 ppm1=4.336 ppm2=1.065

assign ( resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 58 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 65 and name HG2#
  or resid 79 and name HD1#
  or resid 89 and name HG2#
  ) 4.1 0.8 0.8 volume=0.556 peak=1753 ppm1=4.208 ppm2=0.948

assign ( resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  )
       ( resid 21 and name HD1#
  or resid 59 and name HD1#
  ) 4.3 0.9 0.9 volume=0.566 peak=1754 ppm1=2.151 ppm2=0.585

assign ( resid 54 and name HE22
  )
       ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG2
  ) 3.8 0.8 0.8 volume=0.366 peak=1755 ppm1=7.508 ppm2=2.384

assign ( resid 54 and name HE22
  )
       ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  ) 3.9 0.8 0.8 volume=0.297 peak=1756 ppm1=7.511 ppm2=2.351

assign ( resid 71 and name HN
  )
       ( resid 7 and name HB3
  or resid 7 and name HB2
  or resid 23 and name HB2
  or resid 40 and name HE2
  or resid 71 and name HB3
  or resid 72 and name HB2
  or resid 98 and name HB2
  ) 3.9 0.8 0.8 volume=0.315 peak=1757 ppm1=8.879 ppm2=2.612

assign ( resid 52 and name HN
  )
       ( resid 6 and name HE#
  or resid 51 and name HN
  or resid 51 and name HD#
  or resid 55 and name HN
  or resid 71 and name HZ
  or resid 101 and name HZ
  ) 3.9 0.8 0.8 volume=0.379 peak=1758 ppm1=7.914 ppm2=7.321

assign ( resid 27 and name HN
  or resid 57 and name HD21
  or resid 83 and name HN
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.8 0.8 0.8 volume=0.353 peak=1759 ppm1=7.191 ppm2=1.514

assign ( resid 4 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  ) 3.0 0.6 0.6 volume=1.457 peak=1760 ppm1=3.018 ppm2=4.483

assign ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 100 and name HB3
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  ) 3.1 0.6 0.6 volume=1.129 peak=1761 ppm1=2.999 ppm2=4.464

assign ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HD1#
  or resid 63 and name HD1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG2#
  )
       ( resid 4 and name HD2
  or resid 72 and name HE#
  ) 4.0 0.8 0.8 volume=1.025 peak=1762 ppm1=0.921 ppm2=6.889

assign ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HD1#
  or resid 63 and name HD1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HG2#
  or resid 97 and name HD1#
  or resid 107 and name HG2#
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.7 0.7 0.7 volume=1.289 peak=1763 ppm1=0.923 ppm2=3.008

assign ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 100 and name HB3
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.6 0.7 0.7 volume=1.405 peak=1764 ppm1=0.893 ppm2=3.001

assign ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 63 and name HD1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HG2#
  or resid 107 and name HG2#
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  ) 3.8 0.8 0.8 volume=1.032 peak=1765 ppm1=0.925 ppm2=2.970

assign ( resid 37 and name HA
  or resid 65 and name HA
  or resid 80 and name HA1
  )
       ( resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  or resid 102 and name HG3
  ) 3.9 0.8 0.8 volume=0.319 peak=1766 ppm1=3.995 ppm2=2.172

assign ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  )
       ( resid 7 and name HB2
  or resid 23 and name HB2
  or resid 58 and name HB2
  or resid 71 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 98 and name HB2
  ) 3.8 0.8 0.8 volume=0.381 peak=1767 ppm1=4.255 ppm2=2.641

assign ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 13 and name HG3
  or resid 21 and name HG
  or resid 29 and name HB2
  or resid 32 and name HG13
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  ) 3.7 0.7 0.7 volume=0.432 peak=1768 ppm1=4.271 ppm2=1.540

assign ( resid 3 and name HA
  or resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 77 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 8 and name HG
  or resid 15 and name HG3
  or resid 25 and name HG2
  or resid 31 and name HG3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  or resid 97 and name HB2
  ) 3.7 0.7 0.7 volume=0.444 peak=1769 ppm1=4.284 ppm2=1.614

assign ( resid 3 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 10 and name HB3
  or resid 13 and name HD3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 104 and name HB2
  or resid 105 and name HB3
  ) 3.7 0.7 0.7 volume=0.451 peak=1770 ppm1=4.278 ppm2=1.812

assign ( resid 5 and name HA
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  )
       ( resid 8 and name HG
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 97 and name HB2
  or resid 99 and name HB3
  ) 3.6 0.7 0.7 volume=0.465 peak=1771 ppm1=4.216 ppm2=1.661

assign ( resid 5 and name HA
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  )
       ( resid 8 and name HB2
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 31 and name HG2
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 106 and name HB3
  ) 3.6 0.7 0.7 volume=0.479 peak=1772 ppm1=4.220 ppm2=1.727

assign ( resid 55 and name HB#
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  ) 4.6 0.9 0.9 volume=0.319 peak=1773 ppm1=1.335 ppm2=2.960

assign ( resid 22 and name HD1#
  )
       ( resid 20 and name HA1
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 83 and name HE3
  or resid 83 and name HE2
  ) 4.4 0.9 0.9 volume=0.426 peak=1774 ppm1=1.358 ppm2=2.943

assign ( resid 29 and name HD3
  or resid 40 and name HB3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  )
       ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 3.7 0.7 0.7 volume=0.444 peak=1775 ppm1=1.409 ppm2=2.881

assign ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.5 0.7 0.7 volume=1.145 peak=1776 ppm1=1.036 ppm2=1.755

assign ( resid 15 and name HA
  or resid 42 and name HA
  or resid 87 and name HD3
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.0 0.6 0.6 volume=1.391 peak=1777 ppm1=3.706 ppm2=8.136

assign ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 85 and name HA2
  or resid 97 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.9 0.8 0.8 volume=0.307 peak=1778 ppm1=4.302 ppm2=8.394

assign ( resid 19 and name HB
  or resid 81 and name HA
  )
       ( resid 81 and name HN
  ) 3.9 0.8 0.8 volume=0.317 peak=1779 ppm1=4.182 ppm2=8.442

assign ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.9 0.8 0.8 volume=0.309 peak=1780 ppm1=3.477 ppm2=8.383

assign ( resid 12 and name HA
  or resid 28 and name HA2
  )
       ( resid 28 and name HN
  or resid 52 and name HN
  ) 3.4 0.7 0.7 volume=0.741 peak=1781 ppm1=3.741 ppm2=7.914

assign ( resid 24 and name HA
  or resid 52 and name HA2
  or resid 87 and name HD2
  )
       ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 78 and name HA
  or resid 94 and name HB2
  ) 3.5 0.7 0.7 volume=0.608 peak=1782 ppm1=4.136 ppm2=3.856

assign ( resid 37 and name HA
  or resid 65 and name HA
  or resid 80 and name HA1
  or resid 93 and name HA2
  )
       ( resid 18 and name HE21
  or resid 80 and name HN
  ) 3.7 0.7 0.7 volume=0.423 peak=1783 ppm1=3.988 ppm2=7.717

assign ( resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  )
       ( resid 4 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 78 and name HD3
  or resid 100 and name HB2
  or resid 101 and name HB3
  ) 2.9 0.6 0.6 volume=1.887 peak=1784 ppm1=3.383 ppm2=3.037

assign ( resid 58 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.0 0.6 0.6 volume=1.363 peak=1785 ppm1=3.364 ppm2=1.467

assign ( resid 58 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 2.8 0.6 0.6 volume=2.132 peak=1786 ppm1=3.365 ppm2=4.305

assign ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 59 and name HB
  or resid 83 and name HB2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  )
       ( resid 10 and name HG3
  or resid 34 and name HB3
  ) 3.7 0.7 0.7 volume=0.440 peak=1787 ppm1=1.964 ppm2=2.553

assign ( resid 10 and name HB3
  or resid 13 and name HD3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 104 and name HB2
  or resid 105 and name HB3
  )
       ( resid 10 and name HG3
  or resid 34 and name HB3
  ) 4.0 0.8 0.8 volume=0.274 peak=1788 ppm1=1.809 ppm2=2.549

assign ( resid 10 and name HB3
  or resid 13 and name HD3
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 104 and name HB2
  or resid 105 and name HB3
  )
       ( resid 10 and name HG3
  or resid 34 and name HB3
  ) 3.8 0.8 0.8 volume=0.347 peak=1789 ppm1=1.801 ppm2=2.545

assign ( resid 7 and name HB3
  or resid 23 and name HB2
  or resid 40 and name HE2
  or resid 72 and name HB2
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 59 and name HG13
  or resid 83 and name HG2
  ) 3.7 0.7 0.7 volume=0.527 peak=1790 ppm1=2.588 ppm2=1.220

assign ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  ) 3.5 0.7 0.7 volume=0.767 peak=1791 ppm1=2.434 ppm2=1.085

assign ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 59 and name HG13
  ) 3.6 0.7 0.7 volume=0.596 peak=1792 ppm1=2.438 ppm2=1.244

assign ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 98 and name HB2
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  ) 3.8 0.8 0.8 volume=0.446 peak=1793 ppm1=2.644 ppm2=1.087

assign ( resid 4 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 79 and name HG
  or resid 79 and name HB3
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 104 and name HB3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 2.3 0.5 0.5 volume=6.650 peak=1794 ppm1=3.009 ppm2=1.713

assign ( resid 4 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 79 and name HB3
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 2.2 0.4 0.4 volume=9.641 peak=1795 ppm1=3.015 ppm2=1.685

assign ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 69 and name HB2
  )
       ( resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  or resid 102 and name HG3
  ) 2.8 0.6 0.6 volume=2.086 peak=1796 ppm1=2.447 ppm2=2.162

assign ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  )
       ( resid 42 and name HG3
  or resid 60 and name HD1#
  ) 3.7 0.7 0.7 volume=0.653 peak=1797 ppm1=2.868 ppm2=0.776

assign ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 98 and name HB2
  )
       ( resid 7 and name HN
  or resid 26 and name HN
  or resid 105 and name HN
  ) 3.9 0.8 0.8 volume=0.287 peak=1798 ppm1=2.645 ppm2=8.303

assign ( resid 24 and name HA
  or resid 52 and name HA2
  or resid 87 and name HD2
  )
       ( resid 27 and name HN
  or resid 57 and name HD21
  or resid 83 and name HN
  ) 3.9 0.8 0.8 volume=0.301 peak=1799 ppm1=4.123 ppm2=7.182

assign ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 39 and name HB2
  or resid 59 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  )
       ( resid 3 and name HN
  or resid 10 and name HN
  or resid 105 and name HN
  ) 3.6 0.7 0.7 volume=0.476 peak=1800 ppm1=1.969 ppm2=8.339

assign ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 78 and name HB3
  or resid 107 and name HB
  )
       ( resid 7 and name HN
  or resid 16 and name HN
  or resid 26 and name HN
  or resid 98 and name HN
  or resid 105 and name HN
  ) 3.5 0.7 0.7 volume=0.556 peak=1801 ppm1=2.098 ppm2=8.293

assign ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 15 and name HG3
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 31 and name HG3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  or resid 97 and name HB2
  ) 2.9 0.6 0.6 volume=1.631 peak=1802 ppm1=2.088 ppm2=1.610

assign ( resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  )
       ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 63 and name HD1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG2#
  ) 3.7 0.7 0.7 volume=1.347 peak=1803 ppm1=2.077 ppm2=0.923

assign ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 60 and name HB
  or resid 78 and name HB3
  or resid 107 and name HB
  )
       ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.7 0.7 0.7 volume=1.420 peak=1804 ppm1=2.105 ppm2=0.909

assign ( resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 86 and name HA
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 106 and name HA
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  ) 3.6 0.7 0.7 volume=0.463 peak=1805 ppm1=4.339 ppm2=1.953

assign ( resid 14 and name HG2
  or resid 14 and name HG3
  or resid 27 and name HB3
  or resid 33 and name HB3
  or resid 57 and name HB3
  )
       ( resid 10 and name HN
  or resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.8 0.8 0.8 volume=0.358 peak=1806 ppm1=2.474 ppm2=8.378

assign ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.9 0.8 0.8 volume=0.305 peak=1807 ppm1=2.423 ppm2=8.383

assign ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  )
       ( resid 13 and name HA
  or resid 18 and name HA
  or resid 28 and name HA1
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  ) 3.6 0.7 0.7 volume=0.479 peak=1808 ppm1=2.088 ppm2=4.407

assign ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  )
       ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 76 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  ) 3.7 0.7 0.7 volume=0.414 peak=1809 ppm1=3.869 ppm2=3.173

assign ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  )
       ( resid 29 and name HE3
  or resid 64 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB3
  ) 3.9 0.8 0.8 volume=0.285 peak=1810 ppm1=4.058 ppm2=2.790

assign ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 3.7 0.7 0.7 volume=0.452 peak=1811 ppm1=3.484 ppm2=2.861

assign ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 76 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.8 0.8 0.8 volume=0.364 peak=1812 ppm1=3.171 ppm2=4.068

assign ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.7 0.7 0.7 volume=0.445 peak=1813 ppm1=2.426 ppm2=3.005

assign ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 75 and name HG3
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 100 and name HB3
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.7 0.7 0.7 volume=0.422 peak=1814 ppm1=2.415 ppm2=2.994

assign ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 76 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.2 0.8 0.8 volume=0.555 peak=1815 ppm1=3.189 ppm2=0.916

assign ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 85 and name HA2
  or resid 97 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.9 0.8 0.8 volume=0.295 peak=1816 ppm1=4.302 ppm2=4.063

assign ( resid 39 and name HD2
  or resid 39 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  )
       ( resid 5 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 32 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.3 0.7 0.7 volume=0.901 peak=1817 ppm1=3.630 ppm2=4.235

assign ( resid 15 and name HD3
  or resid 43 and name HA
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 8 and name HG
  or resid 15 and name HG3
  or resid 25 and name HG2
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 83 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB2
  ) 3.7 0.7 0.7 volume=0.429 peak=1818 ppm1=3.586 ppm2=1.622

assign ( resid 15 and name HA
  or resid 42 and name HA
  or resid 87 and name HD3
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 106 and name HB2
  ) 3.5 0.7 0.7 volume=0.605 peak=1819 ppm1=3.695 ppm2=1.854

assign ( resid 15 and name HA
  or resid 42 and name HA
  or resid 87 and name HD3
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 3.2 0.6 0.6 volume=0.916 peak=1820 ppm1=3.699 ppm2=1.980

assign ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 79 and name HG
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  )
       ( resid 43 and name HG1#
  ) 4.5 0.9 0.9 volume=0.398 peak=1821 ppm1=1.715 ppm2=0.452

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 15 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 3.4 0.7 0.7 volume=0.696 peak=1822 ppm1=1.522 ppm2=3.708

assign ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 15 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 3.4 0.7 0.7 volume=0.672 peak=1823 ppm1=1.467 ppm2=3.709

assign ( resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  )
       ( resid 66 and name HN
  ) 3.8 0.8 0.8 volume=0.341 peak=1824 ppm1=2.002 ppm2=9.066

assign ( resid 12 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  )
       ( resid 24 and name HN
  or resid 40 and name HN
  or resid 42 and name HN
  ) 3.8 0.8 0.8 volume=0.382 peak=1825 ppm1=2.048 ppm2=9.003

assign ( resid 12 and name HB2
  or resid 40 and name HB2
  or resid 56 and name HB2
  )
       ( resid 24 and name HN
  or resid 40 and name HN
  or resid 42 and name HN
  ) 3.9 0.8 0.8 volume=0.313 peak=1826 ppm1=2.030 ppm2=9.006

assign ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 4.0 0.8 0.8 volume=0.270 peak=1827 ppm1=1.759 ppm2=8.886

assign ( resid 12 and name HA
  or resid 28 and name HA2
  or resid 87 and name HD3
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.3 0.7 0.7 volume=0.779 peak=1828 ppm1=3.732 ppm2=4.358

assign ( resid 29 and name HD3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.8 0.8 0.8 volume=0.404 peak=1829 ppm1=1.415 ppm2=2.126

assign ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.1 0.6 0.6 volume=1.523 peak=1830 ppm1=1.090 ppm2=1.572

assign ( resid 12 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  )
       ( resid 12 and name HG
  or resid 59 and name HG12
  or resid 83 and name HG3
  ) 3.3 0.7 0.7 volume=0.847 peak=1831 ppm1=2.049 ppm2=1.303

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 65 and name HG2#
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  ) 4.3 0.9 0.9 volume=0.532 peak=1832 ppm1=0.949 ppm2=7.657

assign ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 32 and name HD1#
  or resid 63 and name HD1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG2#
  )
       ( resid 33 and name HN
  or resid 41 and name HN
  or resid 44 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  or resid 95 and name HD22
  ) 4.2 0.8 0.8 volume=0.561 peak=1833 ppm1=0.918 ppm2=7.626

assign ( resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  or resid 101 and name HN
  ) 4.0 0.8 0.8 volume=0.445 peak=1834 ppm1=0.798 ppm2=7.989

assign ( resid 29 and name HB3
  or resid 70 and name HB#
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.9 0.8 0.8 volume=0.432 peak=1835 ppm1=1.008 ppm2=8.137

assign ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  ) 3.6 0.7 0.7 volume=0.485 peak=1836 ppm1=2.877 ppm2=1.880

assign ( resid 11 and name HB3
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB3
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  ) 3.7 0.7 0.7 volume=0.427 peak=1837 ppm1=2.757 ppm2=1.882

assign ( resid 4 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 78 and name HD3
  or resid 100 and name HB2
  or resid 101 and name HB3
  )
       ( resid 58 and name HB3
  or resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 2.7 0.5 0.5 volume=3.001 peak=1838 ppm1=3.035 ppm2=3.367

assign ( resid 58 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  )
       ( resid 4 and name HE1
  or resid 85 and name HN
  or resid 88 and name HN
  or resid 107 and name HN
  ) 3.4 0.7 0.7 volume=0.719 peak=1839 ppm1=3.351 ppm2=7.784

assign ( resid 58 and name HB3
  or resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  )
       ( resid 4 and name HE1
  or resid 85 and name HN
  or resid 88 and name HN
  or resid 107 and name HN
  ) 3.6 0.7 0.7 volume=0.495 peak=1840 ppm1=3.371 ppm2=7.784

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 29 and name HE3
  or resid 38 and name HD3
  or resid 64 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB3
  ) 3.8 0.8 0.8 volume=0.349 peak=1841 ppm1=1.501 ppm2=2.785

assign ( resid 9 and name HG12
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  ) 3.8 0.8 0.8 volume=0.380 peak=1842 ppm1=1.486 ppm2=2.733

assign ( resid 29 and name HD3
  or resid 40 and name HB3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  )
       ( resid 29 and name HE3
  or resid 64 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB3
  ) 3.8 0.8 0.8 volume=0.335 peak=1843 ppm1=1.404 ppm2=2.786

assign ( resid 22 and name HD1#
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 42 and name HE3
  or resid 57 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  ) 4.6 0.9 0.9 volume=0.354 peak=1844 ppm1=1.355 ppm2=2.836

assign ( resid 12 and name HG
  or resid 83 and name HG3
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  ) 3.9 0.8 0.8 volume=0.318 peak=1845 ppm1=1.287 ppm2=2.956

assign ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 39 and name HB2
  or resid 59 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  ) 3.8 0.8 0.8 volume=0.345 peak=1846 ppm1=1.968 ppm2=2.734

assign ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 89 and name HB
  or resid 102 and name HB3
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB3
  ) 3.8 0.8 0.8 volume=0.337 peak=1847 ppm1=1.929 ppm2=2.756

assign ( resid 5 and name HB2
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  ) 3.8 0.8 0.8 volume=0.369 peak=1848 ppm1=1.901 ppm2=2.749

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  ) 3.8 0.8 0.8 volume=0.375 peak=1849 ppm1=1.878 ppm2=2.751

assign ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB3
  ) 3.9 0.8 0.8 volume=0.301 peak=1850 ppm1=1.751 ppm2=2.709

assign ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 59 and name HG13
  )
       ( resid 7 and name HB3
  or resid 40 and name HE2
  or resid 72 and name HB2
  ) 3.6 0.7 0.7 volume=0.635 peak=1851 ppm1=1.238 ppm2=2.580

assign ( resid 46 and name HN
  )
       ( resid 47 and name HN
  or resid 86 and name HN
  or resid 89 and name HN
  ) 3.9 0.8 0.8 volume=0.305 peak=1852 ppm1=9.751 ppm2=8.815

assign ( resid 74 and name HE3
  )
       ( resid 28 and name HA1
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 94 and name HA
  ) 3.9 0.8 0.8 volume=0.310 peak=1853 ppm1=7.512 ppm2=4.414

assign ( resid 101 and name HE#
  )
       ( resid 4 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 78 and name HD3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 4.4 0.9 0.9 volume=0.298 peak=1854 ppm1=7.357 ppm2=3.034

assign ( resid 30 and name HN
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 4.2 0.8 0.8 volume=0.384 peak=1855 ppm1=8.012 ppm2=1.037

assign ( resid 78 and name HN
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HB3
  ) 3.5 0.7 0.7 volume=0.587 peak=1856 ppm1=8.212 ppm2=1.568

assign ( resid 78 and name HN
  )
       ( resid 37 and name HN
  or resid 77 and name HN
  ) 3.2 0.6 0.6 volume=0.932 peak=1857 ppm1=8.205 ppm2=8.058

assign ( resid 44 and name HN
  )
       ( resid 4 and name HD2
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 72 and name HE#
  or resid 95 and name HD21
  ) 3.6 0.7 0.7 volume=0.592 peak=1858 ppm1=7.605 ppm2=6.894

assign ( resid 76 and name HN
  )
       ( resid 18 and name HA
  or resid 28 and name HA1
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  ) 3.9 0.8 0.8 volume=0.323 peak=1859 ppm1=9.435 ppm2=4.407

assign ( resid 10 and name HN
  )
       ( resid 10 and name HG3
  or resid 34 and name HB3
  ) 3.9 0.8 0.8 volume=0.284 peak=1860 ppm1=8.341 ppm2=2.551

assign ( resid 30 and name HN
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.7 0.7 0.7 volume=0.404 peak=1861 ppm1=8.011 ppm2=1.571

assign ( resid 78 and name HN
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 29 and name HD3
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 4.0 0.8 0.8 volume=0.261 peak=1862 ppm1=8.207 ppm2=1.452

assign ( resid 26 and name HN
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 4.3 0.9 0.9 volume=0.349 peak=1863 ppm1=8.286 ppm2=1.028

assign ( resid 18 and name HN
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 4.1 0.8 0.8 volume=0.216 peak=1864 ppm1=8.628 ppm2=8.135

assign ( resid 69 and name HN
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.8 0.8 0.8 volume=0.375 peak=1865 ppm1=8.490 ppm2=8.251

assign ( resid 14 and name HN
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.8 0.8 0.8 volume=0.363 peak=1866 ppm1=8.376 ppm2=8.555

assign ( resid 70 and name HN
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.7 0.7 0.7 volume=0.409 peak=1867 ppm1=8.241 ppm2=8.493

assign ( resid 8 and name HN
  )
       ( resid 7 and name HN
  or resid 26 and name HN
  or resid 98 and name HN
  or resid 105 and name HN
  ) 3.9 0.8 0.8 volume=0.297 peak=1868 ppm1=7.949 ppm2=8.298

assign ( resid 40 and name HN
  )
       ( resid 71 and name HE#
  or resid 74 and name HD1
  or resid 74 and name HH2
  ) 4.3 0.9 0.9 volume=0.215 peak=1869 ppm1=9.003 ppm2=7.276

assign ( resid 49 and name HN
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  ) 4.0 0.8 0.8 volume=0.245 peak=1870 ppm1=9.184 ppm2=4.462

assign ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  ) 3.1 0.6 0.6 volume=1.139 peak=1871 ppm1=8.496 ppm2=4.253

assign ( resid 88 and name HN
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.9 0.8 0.8 volume=0.308 peak=1872 ppm1=7.798 ppm2=4.362

assign ( resid 37 and name HN
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.7 0.7 0.7 volume=0.419 peak=1873 ppm1=8.055 ppm2=4.308

assign ( resid 25 and name HN
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.4 0.7 0.7 volume=0.744 peak=1874 ppm1=8.394 ppm2=4.065

assign ( resid 34 and name HN
  )
       ( resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 4.1 0.8 0.8 volume=0.234 peak=1875 ppm1=8.478 ppm2=3.118

assign ( resid 7 and name HN
  or resid 98 and name HN
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 42 and name HE2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 68 and name HB3
  or resid 72 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 100 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  ) 3.8 0.8 0.8 volume=0.339 peak=1876 ppm1=8.300 ppm2=2.974

assign ( resid 58 and name HN
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  ) 3.8 0.8 0.8 volume=0.358 peak=1877 ppm1=8.557 ppm2=2.854

assign ( resid 25 and name HN
  )
       ( resid 13 and name HB2
  or resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  ) 4.2 0.8 0.8 volume=0.189 peak=1878 ppm1=8.400 ppm2=2.349

assign ( resid 40 and name HN
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 59 and name HG13
  ) 4.3 0.9 0.9 volume=0.205 peak=1879 ppm1=8.999 ppm2=1.240

assign ( resid 23 and name HN
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 4.0 0.8 0.8 volume=0.254 peak=1880 ppm1=9.600 ppm2=1.588

assign ( resid 23 and name HN
  )
       ( resid 22 and name HD1#
  or resid 55 and name HB#
  or resid 59 and name HG12
  ) 4.4 0.9 0.9 volume=0.257 peak=1881 ppm1=9.598 ppm2=1.350

assign ( resid 70 and name HN
  )
       ( resid 19 and name HG2#
  or resid 40 and name HG3
  or resid 83 and name HG2
  ) 4.1 0.8 0.8 volume=0.278 peak=1882 ppm1=8.243 ppm2=1.169

assign ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 79 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 3.7 0.7 0.7 volume=0.412 peak=1883 ppm1=8.545 ppm2=1.697

assign ( resid 32 and name HN
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 79 and name HG
  or resid 79 and name HB3
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 3.9 0.8 0.8 volume=0.328 peak=1884 ppm1=8.616 ppm2=1.704

assign ( resid 13 and name HN
  )
       ( resid 5 and name HB2
  or resid 10 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  ) 4.1 0.8 0.8 volume=0.224 peak=1885 ppm1=8.546 ppm2=1.937

assign ( resid 55 and name HN
  )
       ( resid 12 and name HB2
  or resid 40 and name HB2
  or resid 54 and name HB3
  or resid 56 and name HB2
  ) 3.9 0.8 0.8 volume=0.319 peak=1886 ppm1=7.322 ppm2=2.033

assign ( resid 88 and name HN
  )
       ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.9 0.8 0.8 volume=0.324 peak=1887 ppm1=7.803 ppm2=2.002

assign ( resid 96 and name HN
  or resid 98 and name HN
  )
       ( resid 3 and name HG2
  or resid 8 and name HG
  or resid 15 and name HG3
  or resid 25 and name HG2
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 83 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB2
  or resid 97 and name HG
  or resid 97 and name HB2
  ) 3.7 0.7 0.7 volume=0.409 peak=1888 ppm1=8.252 ppm2=1.623

assign ( resid 70 and name HN
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.8 0.8 0.8 volume=0.358 peak=1889 ppm1=8.246 ppm2=1.506

assign ( resid 88 and name HN
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.8 0.8 0.8 volume=0.372 peak=1890 ppm1=7.801 ppm2=1.477

assign ( resid 82 and name HN
  )
       ( resid 37 and name HA
  or resid 65 and name HA
  or resid 80 and name HA1
  or resid 93 and name HA2
  ) 3.9 0.8 0.8 volume=0.308 peak=1891 ppm1=9.251 ppm2=3.990

assign ( resid 22 and name HN
  )
       ( resid 2 and name HA
  or resid 34 and name HA
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.9 0.8 0.8 volume=0.294 peak=1892 ppm1=9.303 ppm2=4.520

assign ( resid 24 and name HN
  )
       ( resid 7 and name HN
  or resid 16 and name HN
  or resid 26 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 103 and name HN
  or resid 105 and name HN
  ) 4.3 0.9 0.9 volume=0.179 peak=1893 ppm1=9.006 ppm2=8.288

assign ( resid 61 and name HN
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 4.6 0.9 0.9 volume=0.239 peak=1894 ppm1=8.176 ppm2=1.021

assign ( resid 62 and name HN
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.8 1.0 1.0 volume=0.278 peak=1895 ppm1=7.841 ppm2=0.888

assign ( resid 32 and name HN
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 81 and name HB2
  ) 4.3 0.9 0.9 volume=0.183 peak=1896 ppm1=8.618 ppm2=2.120

assign ( resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  )
       ( resid 6 and name HB2
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 82 and name HA
  ) 3.9 0.8 0.8 volume=0.298 peak=1897 ppm1=8.389 ppm2=3.218

assign ( resid 77 and name HN
  )
       ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 94 and name HB3
  ) 3.8 0.8 0.8 volume=0.374 peak=1898 ppm1=8.059 ppm2=3.872

assign ( resid 81 and name HN
  )
       ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 94 and name HB3
  ) 3.8 0.8 0.8 volume=0.331 peak=1899 ppm1=8.443 ppm2=3.873

assign ( resid 6 and name HN
  )
       ( resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 81 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 4.0 0.8 0.8 volume=0.279 peak=1900 ppm1=8.193 ppm2=4.210

assign ( resid 81 and name HN
  )
       ( resid 33 and name HN
  or resid 41 and name HN
  or resid 44 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  or resid 95 and name HD22
  ) 4.1 0.8 0.8 volume=0.215 peak=1901 ppm1=8.437 ppm2=7.627

assign ( resid 77 and name HN
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  ) 3.2 0.6 0.6 volume=1.008 peak=1902 ppm1=8.057 ppm2=8.205

assign ( resid 77 and name HN
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.5 0.7 0.7 volume=0.627 peak=1903 ppm1=8.058 ppm2=8.137

assign ( resid 91 and name HN
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.8 0.8 0.8 volume=0.343 peak=1904 ppm1=8.234 ppm2=8.890

assign ( resid 91 and name HN
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.9 0.8 0.8 volume=0.284 peak=1905 ppm1=8.249 ppm2=8.886

assign ( resid 33 and name HN
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 4.3 0.9 0.9 volume=0.177 peak=1906 ppm1=7.654 ppm2=8.386

assign ( resid 27 and name HN
  )
       ( resid 28 and name HN
  or resid 52 and name HN
  ) 3.9 0.8 0.8 volume=0.291 peak=1907 ppm1=7.181 ppm2=7.916

assign ( resid 57 and name HN
  )
       ( resid 27 and name HN
  or resid 57 and name HD21
  or resid 83 and name HN
  ) 3.9 0.8 0.8 volume=0.321 peak=1908 ppm1=7.645 ppm2=7.197

assign ( resid 83 and name HN
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  ) 3.9 0.8 0.8 volume=0.308 peak=1909 ppm1=7.198 ppm2=4.463

assign ( resid 83 and name HN
  )
       ( resid 19 and name HB
  or resid 81 and name HA
  ) 3.8 0.8 0.8 volume=0.341 peak=1910 ppm1=7.198 ppm2=4.177

assign ( resid 57 and name HN
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.9 0.8 0.8 volume=0.302 peak=1911 ppm1=7.651 ppm2=4.058

assign ( resid 33 and name HN
  )
       ( resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 81 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 4.1 0.8 0.8 volume=0.242 peak=1912 ppm1=7.651 ppm2=4.208

assign ( resid 41 and name HN
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.8 0.8 0.8 volume=0.358 peak=1913 ppm1=7.648 ppm2=4.314

assign ( resid 83 and name HN
  )
       ( resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  ) 4.2 0.8 0.8 volume=0.210 peak=1914 ppm1=7.196 ppm2=2.670

assign ( resid 41 and name HN
  )
       ( resid 7 and name HB3
  or resid 23 and name HB2
  or resid 40 and name HE2
  or resid 71 and name HB3
  or resid 72 and name HB2
  ) 4.2 0.8 0.8 volume=0.196 peak=1915 ppm1=7.645 ppm2=2.607

assign ( resid 41 and name HN
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 106 and name HB2
  ) 3.7 0.7 0.7 volume=0.397 peak=1916 ppm1=7.641 ppm2=1.872

assign ( resid 41 and name HN
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 103 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 3.5 0.7 0.7 volume=0.608 peak=1917 ppm1=7.642 ppm2=1.774

assign ( resid 27 and name HN
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 4.1 0.8 0.8 volume=0.223 peak=1918 ppm1=7.184 ppm2=2.094

assign ( resid 29 and name HN
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  ) 3.9 0.8 0.8 volume=0.291 peak=1919 ppm1=7.537 ppm2=8.022

assign ( resid 35 and name HN
  )
       ( resid 36 and name HN
  ) 4.2 0.8 0.8 volume=0.204 peak=1920 ppm1=8.385 ppm2=8.723

assign ( resid 50 and name HN
  or resid 56 and name HN
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  ) 3.6 0.7 0.7 volume=0.466 peak=1921 ppm1=7.848 ppm2=7.652

assign ( resid 35 and name HN
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 70 and name HA
  or resid 84 and name HA
  ) 3.5 0.7 0.7 volume=0.569 peak=1922 ppm1=8.376 ppm2=4.489

assign ( resid 35 and name HN
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  ) 3.7 0.7 0.7 volume=0.407 peak=1923 ppm1=8.389 ppm2=3.479

assign ( resid 28 and name HN
  )
       ( resid 20 and name HA1
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 83 and name HE3
  or resid 83 and name HE2
  ) 3.9 0.8 0.8 volume=0.305 peak=1924 ppm1=7.916 ppm2=2.940

assign ( resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 3.9 0.8 0.8 volume=0.284 peak=1925 ppm1=7.846 ppm2=2.858

assign ( resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  ) 3.9 0.8 0.8 volume=0.304 peak=1926 ppm1=7.848 ppm2=2.746

assign ( resid 28 and name HN
  )
       ( resid 27 and name HB3
  or resid 33 and name HB3
  or resid 57 and name HB3
  ) 4.2 0.8 0.8 volume=0.207 peak=1927 ppm1=7.920 ppm2=2.496

assign ( resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 100 and name HE1
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.9 0.8 0.8 volume=0.285 peak=1928 ppm1=7.845 ppm2=1.461

assign ( resid 62 and name HD21
  )
       ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.8 1.0 1.0 volume=0.257 peak=1929 ppm1=7.368 ppm2=0.916

assign ( resid 35 and name HN
  )
       ( resid 34 and name HN
  or resid 67 and name HN
  or resid 81 and name HN
  ) 3.4 0.7 0.7 volume=0.740 peak=1930 ppm1=8.377 ppm2=8.466

assign ( resid 20 and name HN
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.7 0.7 0.7 volume=0.400 peak=1931 ppm1=7.990 ppm2=8.133

assign ( resid 52 and name HN
  )
       ( resid 24 and name HA
  or resid 52 and name HA2
  or resid 87 and name HD2
  ) 4.1 0.8 0.8 volume=0.230 peak=1932 ppm1=7.921 ppm2=4.118

assign ( resid 52 and name HN
  )
       ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 94 and name HB2
  ) 4.1 0.8 0.8 volume=0.232 peak=1933 ppm1=7.915 ppm2=3.864

assign ( resid 80 and name HN
  )
       ( resid 19 and name HB
  or resid 81 and name HA
  or resid 102 and name HA
  ) 4.0 0.8 0.8 volume=0.279 peak=1934 ppm1=7.716 ppm2=4.179

assign ( resid 57 and name HD22
  )
       ( resid 9 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 106 and name HA
  ) 3.8 0.8 0.8 volume=0.346 peak=1935 ppm1=6.624 ppm2=4.327

assign ( resid 27 and name HN
  or resid 57 and name HD21
  or resid 83 and name HN
  )
       ( resid 9 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 86 and name HA
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 106 and name HA
  ) 3.7 0.7 0.7 volume=0.412 peak=1936 ppm1=7.198 ppm2=4.333

assign ( resid 88 and name HE
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 29 and name HD3
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.9 0.8 0.8 volume=0.302 peak=1937 ppm1=7.621 ppm2=1.454

assign ( resid 80 and name HN
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 3.9 0.8 0.8 volume=0.319 peak=1938 ppm1=7.719 ppm2=1.675

assign ( resid 80 and name HN
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 4.0 0.8 0.8 volume=0.269 peak=1939 ppm1=7.717 ppm2=1.515

assign ( resid 20 and name HN
  )
       ( resid 13 and name HG3
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 60 and name HG12
  or resid 81 and name HB3
  ) 4.0 0.8 0.8 volume=0.277 peak=1940 ppm1=7.995 ppm2=1.534

assign ( resid 80 and name HN
  )
       ( resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  or resid 107 and name HG1#
  ) 4.6 0.9 0.9 volume=0.327 peak=1941 ppm1=7.718 ppm2=0.867

assign ( resid 34 and name HN
  )
       ( resid 18 and name HN
  or resid 32 and name HN
  or resid 65 and name HN
  ) 3.8 0.8 0.8 volume=0.332 peak=1942 ppm1=8.471 ppm2=8.622

assign ( resid 4 and name HE1
  or resid 85 and name HN
  or resid 88 and name HN
  or resid 107 and name HN
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 24 and name HA
  or resid 31 and name HD2
  or resid 80 and name HA2
  or resid 87 and name HD2
  ) 4.0 0.8 0.8 volume=0.268 peak=1943 ppm1=7.783 ppm2=4.098

assign ( resid 96 and name HN
  or resid 98 and name HN
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 106 and name HA
  ) 3.5 0.7 0.7 volume=0.619 peak=1944 ppm1=8.256 ppm2=4.323

assign ( resid 24 and name HN
  or resid 40 and name HN
  or resid 42 and name HN
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 103 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 3.9 0.8 0.8 volume=0.286 peak=1945 ppm1=9.007 ppm2=1.774

assign ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.9 0.8 0.8 volume=0.283 peak=1946 ppm1=8.896 ppm2=1.752

assign ( resid 4 and name HE1
  or resid 85 and name HN
  or resid 88 and name HN
  )
       ( resid 12 and name HN
  ) 4.0 0.8 0.8 volume=0.276 peak=1947 ppm1=7.805 ppm2=9.517

assign ( resid 15 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  )
       ( resid 72 and name HN
  ) 3.9 0.8 0.8 volume=0.289 peak=1948 ppm1=3.711 ppm2=9.335

assign ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 70 and name HB#
  )
       ( resid 22 and name HN
  ) 4.3 0.9 0.9 volume=0.317 peak=1949 ppm1=1.015 ppm2=9.289

assign ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HG2
  )
       ( resid 22 and name HN
  ) 3.8 0.8 0.8 volume=0.406 peak=1950 ppm1=1.102 ppm2=9.291

assign ( resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  )
       ( resid 22 and name HN
  ) 4.1 0.8 0.8 volume=0.320 peak=1951 ppm1=1.078 ppm2=9.288

assign ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 40 and name HD3
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  )
       ( resid 22 and name HN
  ) 4.2 0.8 0.8 volume=0.319 peak=1952 ppm1=1.047 ppm2=9.294

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 106 and name HB2
  )
       ( resid 82 and name HN
  ) 3.8 0.8 0.8 volume=0.348 peak=1953 ppm1=1.854 ppm2=9.249

assign ( resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  )
       ( resid 74 and name HN
  ) 3.9 0.8 0.8 volume=0.292 peak=1954 ppm1=3.128 ppm2=9.047

assign ( resid 29 and name HG3
  )
       ( resid 29 and name HE3
  or resid 38 and name HD3
  or resid 64 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB3
  ) 4.0 0.8 0.8 volume=0.279 peak=1955 ppm1=0.387 ppm2=2.785

assign ( resid 43 and name HG1#
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 79 and name HG
  or resid 79 and name HB3
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 4.6 0.9 0.9 volume=0.323 peak=1956 ppm1=0.453 ppm2=1.706

assign ( resid 29 and name HG3
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.7 0.7 0.7 volume=0.399 peak=1957 ppm1=0.388 ppm2=1.573

assign ( resid 43 and name HG1#
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 4.4 0.9 0.9 volume=0.425 peak=1958 ppm1=0.449 ppm2=1.588

assign ( resid 29 and name HG3
  )
       ( resid 29 and name HD3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.9 0.8 0.8 volume=0.320 peak=1959 ppm1=0.395 ppm2=1.420

assign ( resid 15 and name HA
  or resid 42 and name HA
  or resid 87 and name HD3
  )
       ( resid 43 and name HG2#
  ) 4.2 0.8 0.8 volume=0.607 peak=1960 ppm1=3.708 ppm2=-0.123

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 22 and name HA
  ) 3.7 0.7 0.7 volume=0.413 peak=1961 ppm1=1.513 ppm2=6.030

assign ( resid 59 and name HD1#
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 59 and name HG13
  ) 3.9 0.8 0.8 volume=1.181 peak=1962 ppm1=0.579 ppm2=1.228

assign ( resid 59 and name HD1#
  )
       ( resid 29 and name HD3
  or resid 40 and name HB3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 4.3 0.9 0.9 volume=0.503 peak=1963 ppm1=0.578 ppm2=1.412

assign ( resid 59 and name HD1#
  )
       ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.8 1.0 1.0 volume=0.785 peak=1964 ppm1=0.590 ppm2=0.915

assign ( resid 21 and name HD1#
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  ) 3.7 0.7 0.7 volume=1.616 peak=1965 ppm1=0.592 ppm2=1.087

assign ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  )
       ( resid 6 and name HE#
  or resid 51 and name HN
  or resid 51 and name HD#
  or resid 55 and name HN
  or resid 71 and name HZ
  or resid 101 and name HZ
  ) 3.8 0.8 0.8 volume=0.449 peak=1966 ppm1=2.867 ppm2=7.324

assign ( resid 12 and name HG
  or resid 55 and name HB#
  or resid 59 and name HG12
  )
       ( resid 27 and name HN
  or resid 57 and name HD21
  or resid 83 and name HN
  ) 4.0 0.8 0.8 volume=0.315 peak=1967 ppm1=1.320 ppm2=7.196

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.7 0.7 0.7 volume=0.452 peak=1968 ppm1=1.500 ppm2=8.404

assign ( resid 10 and name HG3
  or resid 34 and name HB3
  )
       ( resid 34 and name HN
  or resid 67 and name HN
  or resid 81 and name HN
  ) 3.9 0.8 0.8 volume=0.310 peak=1969 ppm1=2.534 ppm2=8.467

assign ( resid 10 and name HG3
  or resid 34 and name HB3
  )
       ( resid 3 and name HN
  or resid 10 and name HN
  or resid 105 and name HN
  ) 4.0 0.8 0.8 volume=0.276 peak=1970 ppm1=2.559 ppm2=8.339

assign ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 71 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 98 and name HB2
  )
       ( resid 8 and name HN
  or resid 52 and name HN
  or resid 64 and name HD21
  ) 3.8 0.8 0.8 volume=0.336 peak=1971 ppm1=2.638 ppm2=7.947

assign ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  )
       ( resid 8 and name HN
  or resid 28 and name HN
  or resid 52 and name HN
  or resid 64 and name HD21
  ) 4.3 0.9 0.9 volume=0.484 peak=1972 ppm1=0.831 ppm2=7.946

assign ( resid 90 and name HD1#
  )
       ( resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  or resid 107 and name HG1#
  ) 3.3 0.7 0.7 volume=7.602 peak=1973 ppm1=0.740 ppm2=0.868

assign ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 96 and name HA
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 4.0 0.8 0.8 volume=0.282 peak=1974 ppm1=4.248 ppm2=8.491

assign ( resid 13 and name HE2
  )
       ( resid 5 and name HB2
  or resid 10 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 3.5 0.7 0.7 volume=0.598 peak=1975 ppm1=3.167 ppm2=1.928

assign ( resid 6 and name HB2
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 82 and name HA
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 106 and name HB2
  ) 2.9 0.6 0.6 volume=1.753 peak=1976 ppm1=3.225 ppm2=1.857

assign ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 76 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 106 and name HB2
  ) 3.2 0.6 0.6 volume=1.024 peak=1977 ppm1=3.167 ppm2=1.866

assign ( resid 13 and name HE3
  or resid 44 and name HD3
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 106 and name HB2
  ) 3.6 0.7 0.7 volume=0.494 peak=1978 ppm1=3.063 ppm2=1.866

assign ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 30 and name HB3
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 79 and name HG
  or resid 79 and name HB3
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 3.2 0.6 0.6 volume=1.012 peak=1979 ppm1=3.149 ppm2=1.711

assign ( resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  )
       ( resid 8 and name HG
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 97 and name HB2
  or resid 99 and name HB3
  ) 3.1 0.6 0.6 volume=1.146 peak=1980 ppm1=3.136 ppm2=1.658

assign ( resid 6 and name HB2
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 82 and name HA
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 31 and name HG3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  or resid 97 and name HB2
  ) 3.0 0.6 0.6 volume=1.581 peak=1981 ppm1=3.226 ppm2=1.605

assign ( resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  )
       ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 2.8 0.6 0.6 volume=2.417 peak=1982 ppm1=3.137 ppm2=1.486

assign ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  ) 2.8 0.6 0.6 volume=2.471 peak=1983 ppm1=3.143 ppm2=1.523

assign ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 30 and name HB3
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 103 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 3.3 0.7 0.7 volume=0.911 peak=1984 ppm1=3.149 ppm2=1.773

assign ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 76 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HB3
  ) 3.0 0.6 0.6 volume=1.464 peak=1985 ppm1=3.166 ppm2=1.567

assign ( resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  )
       ( resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HB3
  or resid 97 and name HB3
  ) 3.0 0.6 0.6 volume=1.471 peak=1986 ppm1=3.136 ppm2=1.560

assign ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 2.9 0.6 0.6 volume=2.020 peak=1987 ppm1=2.426 ppm2=2.123

assign ( resid 7 and name HB3
  or resid 23 and name HB2
  or resid 40 and name HE2
  or resid 71 and name HB3
  or resid 72 and name HB2
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 2.5 0.5 0.5 volume=4.357 peak=1988 ppm1=2.591 ppm2=2.438

assign ( resid 10 and name HG3
  or resid 34 and name HB3
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 2.7 0.5 0.5 volume=2.883 peak=1989 ppm1=2.551 ppm2=2.436

assign ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  )
       ( resid 7 and name HB3
  or resid 23 and name HB2
  or resid 40 and name HE2
  or resid 71 and name HB3
  or resid 72 and name HB2
  ) 2.5 0.5 0.5 volume=4.050 peak=1990 ppm1=2.437 ppm2=2.585

assign ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  )
       ( resid 10 and name HG3
  or resid 34 and name HB3
  ) 2.7 0.5 0.5 volume=2.941 peak=1991 ppm1=2.434 ppm2=2.551

assign ( resid 12 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  )
       ( resid 54 and name HB2
  or resid 75 and name HB3
  or resid 87 and name HB2
  or resid 102 and name HG2
  ) 2.7 0.5 0.5 volume=3.009 peak=1992 ppm1=2.052 ppm2=2.227

assign ( resid 6 and name HB2
  or resid 33 and name HB2
  or resid 46 and name HB2
  or resid 82 and name HA
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 42 and name HE2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 68 and name HB3
  or resid 72 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 100 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 2.5 0.5 0.5 volume=4.237 peak=1993 ppm1=3.241 ppm2=2.976

assign ( resid 6 and name HB2
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 82 and name HA
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 42 and name HE2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 68 and name HB3
  or resid 72 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 100 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 2.7 0.5 0.5 volume=2.962 peak=1994 ppm1=3.226 ppm2=2.977

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 15 and name HG3
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 31 and name HG3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  )
       ( resid 6 and name HB2
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 82 and name HA
  ) 3.1 0.6 0.6 volume=1.111 peak=1995 ppm1=1.601 ppm2=3.222

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HB3
  )
       ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 44 and name HD2
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  ) 3.0 0.6 0.6 volume=1.349 peak=1996 ppm1=1.571 ppm2=3.162

assign ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 103 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  )
       ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  ) 3.3 0.7 0.7 volume=0.863 peak=1997 ppm1=1.777 ppm2=3.152

assign ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  )
       ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 44 and name HD2
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  ) 3.3 0.7 0.7 volume=0.893 peak=1998 ppm1=1.767 ppm2=3.155

assign ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 79 and name HG
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  )
       ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 3.2 0.6 0.6 volume=1.028 peak=1999 ppm1=1.717 ppm2=3.142

assign ( resid 8 and name HG
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 83 and name HB3
  or resid 97 and name HB2
  or resid 99 and name HB3
  )
       ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 3.2 0.6 0.6 volume=0.938 peak=2000 ppm1=1.659 ppm2=3.135

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 2.8 0.6 0.6 volume=2.111 peak=2001 ppm1=1.528 ppm2=3.149

assign ( resid 9 and name HG12
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 2.8 0.6 0.6 volume=2.306 peak=2002 ppm1=1.485 ppm2=3.136

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HB3
  )
       ( resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 3.2 0.6 0.6 volume=0.984 peak=2003 ppm1=1.573 ppm2=3.135

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 106 and name HB2
  )
       ( resid 6 and name HB2
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 82 and name HA
  ) 3.1 0.6 0.6 volume=1.258 peak=2004 ppm1=1.866 ppm2=3.223

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 106 and name HB2
  )
       ( resid 6 and name HB2
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 82 and name HA
  ) 3.1 0.6 0.6 volume=1.218 peak=2005 ppm1=1.855 ppm2=3.223

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 106 and name HB2
  )
       ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 66 and name HA1
  or resid 76 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  ) 3.2 0.6 0.6 volume=0.923 peak=2006 ppm1=1.864 ppm2=3.172

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 31 and name HG3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  )
       ( resid 4 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.2 0.6 0.6 volume=0.994 peak=2007 ppm1=1.600 ppm2=3.011

assign ( resid 9 and name HG12
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 4 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 2.9 0.6 0.6 volume=1.718 peak=2008 ppm1=1.486 ppm2=3.014

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 42 and name HE2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 68 and name HB3
  or resid 72 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  ) 3.2 0.6 0.6 volume=0.966 peak=2009 ppm1=1.518 ppm2=2.972

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 8 and name HG
  or resid 15 and name HG3
  or resid 25 and name HG2
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB2
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  ) 2.8 0.6 0.6 volume=2.063 peak=2010 ppm1=1.617 ppm2=2.961

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HB3
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  ) 3.2 0.6 0.6 volume=1.061 peak=2011 ppm1=1.570 ppm2=2.956

assign ( resid 13 and name HG3
  or resid 29 and name HB2
  or resid 32 and name HG13
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  ) 3.2 0.6 0.6 volume=1.057 peak=2012 ppm1=1.549 ppm2=2.960

assign ( resid 10 and name HB3
  or resid 13 and name HD3
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 104 and name HB2
  or resid 105 and name HB3
  )
       ( resid 13 and name HE3
  or resid 34 and name HB2
  or resid 44 and name HD3
  or resid 100 and name HB2
  ) 3.3 0.7 0.7 volume=0.858 peak=2013 ppm1=1.799 ppm2=3.062

assign ( resid 10 and name HB3
  or resid 104 and name HB2
  or resid 105 and name HB3
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.4 0.7 0.7 volume=0.705 peak=2014 ppm1=1.821 ppm2=3.006

assign ( resid 10 and name HB3
  or resid 13 and name HD3
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 104 and name HB2
  or resid 105 and name HB3
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.4 0.7 0.7 volume=0.693 peak=2015 ppm1=1.795 ppm2=3.007

assign ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  ) 3.4 0.7 0.7 volume=0.750 peak=2016 ppm1=1.754 ppm2=2.966

assign ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 103 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  ) 3.5 0.7 0.7 volume=0.624 peak=2017 ppm1=1.775 ppm2=2.965

assign ( resid 40 and name HB3
  or resid 87 and name HG3
  or resid 89 and name HG13
  )
       ( resid 12 and name HB2
  or resid 25 and name HB3
  or resid 40 and name HB2
  or resid 54 and name HB3
  or resid 56 and name HB2
  ) 3.1 0.6 0.6 volume=1.262 peak=2018 ppm1=1.381 ppm2=2.029

assign ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 3.0 0.6 0.6 volume=1.415 peak=2019 ppm1=1.475 ppm2=1.977

assign ( resid 8 and name HG
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 99 and name HB3
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 2.7 0.5 0.5 volume=3.067 peak=2020 ppm1=1.664 ppm2=1.985

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HB3
  )
       ( resid 5 and name HB2
  or resid 10 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 2.8 0.6 0.6 volume=2.464 peak=2021 ppm1=1.569 ppm2=1.933

assign ( resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 106 and name HB2
  ) 2.6 0.5 0.5 volume=3.466 peak=2022 ppm1=1.560 ppm2=1.861

assign ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  )
       ( resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 40 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  ) 2.6 0.5 0.5 volume=3.806 peak=2023 ppm1=1.762 ppm2=2.014

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 106 and name HB2
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 2.8 0.6 0.6 volume=2.406 peak=2024 ppm1=1.871 ppm2=2.131

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 106 and name HB2
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 81 and name HB2
  ) 2.8 0.6 0.6 volume=2.490 peak=2025 ppm1=1.856 ppm2=2.114

assign ( resid 5 and name HB2
  or resid 13 and name HG2
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  )
       ( resid 37 and name HB
  or resid 67 and name HB
  or resid 87 and name HB2
  or resid 102 and name HG2
  or resid 102 and name HG3
  ) 3.0 0.6 0.6 volume=1.381 peak=2026 ppm1=1.894 ppm2=2.193

assign ( resid 5 and name HB2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 60 and name HB
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 2.8 0.6 0.6 volume=2.591 peak=2027 ppm1=1.911 ppm2=2.108

assign ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  )
       ( resid 54 and name HB2
  or resid 87 and name HB2
  or resid 102 and name HG2
  or resid 102 and name HG3
  ) 2.8 0.6 0.6 volume=2.255 peak=2028 ppm1=1.978 ppm2=2.202

assign ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 103 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  )
       ( resid 29 and name HD3
  or resid 40 and name HB3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  ) 2.6 0.5 0.5 volume=3.420 peak=2029 ppm1=1.768 ppm2=1.398

assign ( resid 5 and name HB2
  or resid 10 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HB3
  ) 2.6 0.5 0.5 volume=3.210 peak=2030 ppm1=1.934 ppm2=1.569

assign ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  )
       ( resid 8 and name HG
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 97 and name HB2
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 2.6 0.5 0.5 volume=3.266 peak=2031 ppm1=1.989 ppm2=1.664

assign ( resid 25 and name HB3
  or resid 40 and name HB2
  or resid 56 and name HB2
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 2.5 0.5 0.5 volume=4.758 peak=2032 ppm1=2.022 ppm2=1.762

assign ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 106 and name HB2
  ) 2.6 0.5 0.5 volume=3.270 peak=2033 ppm1=1.979 ppm2=1.856

assign ( resid 54 and name HB2
  or resid 87 and name HB2
  or resid 102 and name HG2
  or resid 102 and name HG3
  )
       ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 2.7 0.5 0.5 volume=2.548 peak=2034 ppm1=2.209 ppm2=1.991

assign ( resid 87 and name HB2
  or resid 102 and name HG2
  or resid 102 and name HG3
  )
       ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 3.0 0.6 0.6 volume=1.416 peak=2035 ppm1=2.204 ppm2=1.913

assign ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  )
       ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 2.7 0.5 0.5 volume=8.051 peak=2036 ppm1=1.752 ppm2=0.918

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 2.6 0.5 0.5 volume=9.373 peak=2037 ppm1=1.593 ppm2=0.896

assign ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  )
       ( resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  ) 2.7 0.5 0.5 volume=8.903 peak=2038 ppm1=1.753 ppm2=0.877

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  )
       ( resid 8 and name HD2#
  or resid 9 and name HG2#
  or resid 9 and name HD1#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  ) 2.7 0.5 0.5 volume=7.680 peak=2039 ppm1=1.594 ppm2=0.844

assign ( resid 9 and name HG12
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD1#
  or resid 97 and name HD2#
  or resid 107 and name HG1#
  ) 3.0 0.6 0.6 volume=4.737 peak=2040 ppm1=1.480 ppm2=0.869

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 2.9 0.6 0.6 volume=3.761 peak=2041 ppm1=1.578 ppm2=1.027

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HB3
  )
       ( resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  ) 3.0 0.6 0.6 volume=2.465 peak=2042 ppm1=1.572 ppm2=0.776

assign ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 21 and name HD2#
  or resid 90 and name HD1#
  ) 3.2 0.6 0.6 volume=3.088 peak=2043 ppm1=1.490 ppm2=0.735

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  )
       ( resid 21 and name HD2#
  or resid 90 and name HD1#
  ) 3.3 0.7 0.7 volume=2.367 peak=2044 ppm1=1.578 ppm2=0.727

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  ) 3.3 0.7 0.7 volume=1.519 peak=2045 ppm1=1.511 ppm2=0.780

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 21 and name HD2#
  or resid 90 and name HD1#
  ) 3.2 0.6 0.6 volume=3.171 peak=2046 ppm1=1.514 ppm2=0.723

assign ( resid 9 and name HG12
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  ) 3.3 0.7 0.7 volume=1.533 peak=2047 ppm1=1.485 ppm2=0.785

assign ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  ) 3.1 0.6 0.6 volume=3.614 peak=2048 ppm1=1.467 ppm2=0.825

assign ( resid 12 and name HG
  or resid 59 and name HG12
  or resid 83 and name HG3
  )
       ( resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  ) 3.3 0.7 0.7 volume=2.576 peak=2049 ppm1=1.301 ppm2=0.878

assign ( resid 22 and name HD1#
  or resid 55 and name HB#
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 3.3 0.7 0.7 volume=4.644 peak=2050 ppm1=1.355 ppm2=1.026

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 70 and name HB#
  ) 3.1 0.6 0.6 volume=2.126 peak=2051 ppm1=1.522 ppm2=1.013

assign ( resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HB3
  or resid 97 and name HB3
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 65 and name HG2#
  ) 3.1 0.6 0.6 volume=2.368 peak=2052 ppm1=1.562 ppm2=0.954

assign ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 9 and name HG13
  or resid 37 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HG2
  or resid 42 and name HG2
  ) 2.6 0.5 0.5 volume=3.733 peak=2053 ppm1=1.473 ppm2=1.115

assign ( resid 29 and name HD3
  or resid 40 and name HB3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  or resid 105 and name HG2
  or resid 105 and name HG3
  )
       ( resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  or resid 107 and name HG1#
  ) 3.2 0.6 0.6 volume=3.106 peak=2054 ppm1=1.413 ppm2=0.868

assign ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  )
       ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  ) 3.4 0.7 0.7 volume=2.030 peak=2055 ppm1=1.763 ppm2=0.825

assign ( resid 29 and name HD3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 87 and name HG3
  or resid 90 and name HB3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  )
       ( resid 21 and name HD2#
  or resid 90 and name HD1#
  ) 3.6 0.7 0.7 volume=1.545 peak=2056 ppm1=1.423 ppm2=0.740

assign ( resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  )
       ( resid 12 and name HD1#
  or resid 45 and name HG1#
  ) 3.2 0.6 0.6 volume=4.992 peak=2057 ppm1=0.794 ppm2=0.632

assign ( resid 40 and name HB3
  or resid 87 and name HG3
  or resid 89 and name HG13
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 2.6 0.5 0.5 volume=3.131 peak=2058 ppm1=1.391 ppm2=1.757

assign ( resid 40 and name HB3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 79 and name HB3
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 2.6 0.5 0.5 volume=3.436 peak=2059 ppm1=1.396 ppm2=1.684

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 2.6 0.5 0.5 volume=3.426 peak=2060 ppm1=1.511 ppm2=1.762

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 79 and name HB3
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 2.7 0.5 0.5 volume=3.098 peak=2061 ppm1=1.510 ppm2=1.700

assign ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 2.8 0.6 0.6 volume=2.324 peak=2062 ppm1=1.469 ppm2=1.756

assign ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 79 and name HG
  or resid 79 and name HB3
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 2.5 0.5 0.5 volume=4.807 peak=2063 ppm1=1.470 ppm2=1.703

assign ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 79 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 2.4 0.5 0.5 volume=5.740 peak=2064 ppm1=1.453 ppm2=1.690

assign ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 8 and name HG
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 97 and name HB2
  or resid 99 and name HB3
  ) 2.9 0.6 0.6 volume=1.894 peak=2065 ppm1=1.477 ppm2=1.657

assign ( resid 22 and name HD1#
  or resid 55 and name HB#
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 31 and name HG3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.4 0.7 0.7 volume=1.921 peak=2066 ppm1=1.357 ppm2=1.603

assign ( resid 22 and name HD1#
  or resid 55 and name HB#
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.4 0.7 0.7 volume=2.201 peak=2067 ppm1=1.354 ppm2=1.582

assign ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 29 and name HD3
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 8 and name HG
  or resid 15 and name HG3
  or resid 25 and name HG2
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB2
  ) 2.6 0.5 0.5 volume=3.270 peak=2068 ppm1=1.452 ppm2=1.617

assign ( resid 15 and name HG2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 87 and name HB3
  or resid 102 and name HG3
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  ) 2.9 0.6 0.6 volume=1.808 peak=2069 ppm1=2.170 ppm2=4.388

assign ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 81 and name HB2
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 2.9 0.6 0.6 volume=1.973 peak=2070 ppm1=2.124 ppm2=4.370

assign ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 2.9 0.6 0.6 volume=1.948 peak=2071 ppm1=1.985 ppm2=4.370

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 106 and name HB2
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 2.9 0.6 0.6 volume=1.919 peak=2072 ppm1=1.857 ppm2=4.373

assign ( resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HB3
  or resid 97 and name HB3
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.0 0.6 0.6 volume=1.538 peak=2073 ppm1=1.566 ppm2=4.375

assign ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  )
       ( resid 14 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 86 and name HA
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 106 and name HA
  ) 3.0 0.6 0.6 volume=1.475 peak=2074 ppm1=1.953 ppm2=4.339

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 106 and name HA
  ) 2.7 0.5 0.5 volume=2.806 peak=2075 ppm1=1.593 ppm2=4.323

assign ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 81 and name HB2
  )
       ( resid 3 and name HA
  or resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.0 0.6 0.6 volume=1.569 peak=2076 ppm1=2.122 ppm2=4.293

assign ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  )
       ( resid 3 and name HA
  or resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 2.9 0.6 0.6 volume=1.858 peak=2077 ppm1=2.092 ppm2=4.293

assign ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  )
       ( resid 3 and name HA
  or resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 77 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 2.6 0.5 0.5 volume=3.245 peak=2078 ppm1=1.997 ppm2=4.289

assign ( resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  )
       ( resid 3 and name HA
  or resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.0 0.6 0.6 volume=1.612 peak=2079 ppm1=2.136 ppm2=4.281

assign ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 81 and name HB2
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 2.9 0.6 0.6 volume=1.863 peak=2080 ppm1=2.125 ppm2=4.270

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 106 and name HB2
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 2.8 0.6 0.6 volume=2.228 peak=2081 ppm1=1.871 ppm2=4.272

assign ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 2.6 0.5 0.5 volume=3.413 peak=2082 ppm1=1.760 ppm2=4.271

assign ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 79 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 2.7 0.5 0.5 volume=2.699 peak=2083 ppm1=1.690 ppm2=4.274

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 15 and name HG3
  or resid 25 and name HG2
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB2
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 2.9 0.6 0.6 volume=1.654 peak=2084 ppm1=1.614 ppm2=4.275

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 2.8 0.6 0.6 volume=2.281 peak=2085 ppm1=1.580 ppm2=4.274

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.0 0.6 0.6 volume=1.598 peak=2086 ppm1=1.515 ppm2=4.270

assign ( resid 22 and name HD1#
  or resid 55 and name HB#
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  ) 3.5 0.7 0.7 volume=1.714 peak=2087 ppm1=1.356 ppm2=4.255

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 81 and name HA
  or resid 102 and name HA
  ) 3.0 0.6 0.6 volume=1.598 peak=2088 ppm1=1.512 ppm2=4.183

assign ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 102 and name HB3
  )
       ( resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 81 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.0 0.6 0.6 volume=1.477 peak=2089 ppm1=1.916 ppm2=4.211

assign ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.1 0.6 0.6 volume=1.156 peak=2090 ppm1=2.425 ppm2=4.366

assign ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG2
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.4 0.7 0.7 volume=0.644 peak=2091 ppm1=2.363 ppm2=4.373

assign ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.4 0.7 0.7 volume=0.699 peak=2092 ppm1=2.352 ppm2=4.370

assign ( resid 13 and name HB2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.4 0.7 0.7 volume=0.670 peak=2093 ppm1=2.329 ppm2=4.373

assign ( resid 17 and name HB
  or resid 75 and name HB3
  or resid 75 and name HB2
  )
       ( resid 18 and name HA
  or resid 28 and name HA1
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  ) 3.2 0.6 0.6 volume=0.962 peak=2094 ppm1=2.269 ppm2=4.408

assign ( resid 54 and name HB2
  or resid 87 and name HB2
  or resid 102 and name HG2
  )
       ( resid 9 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 106 and name HA
  ) 3.3 0.7 0.7 volume=0.900 peak=2095 ppm1=2.229 ppm2=4.331

assign ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 81 and name HB2
  )
       ( resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 58 and name HA
  or resid 81 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 2.9 0.6 0.6 volume=2.011 peak=2096 ppm1=2.121 ppm2=4.200

assign ( resid 12 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  )
       ( resid 9 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 106 and name HA
  ) 3.2 0.6 0.6 volume=0.973 peak=2097 ppm1=2.055 ppm2=4.330

assign ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  )
       ( resid 5 and name HA
  or resid 20 and name HA2
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.4 0.7 0.7 volume=0.662 peak=2098 ppm1=1.991 ppm2=4.217

assign ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  )
       ( resid 39 and name HD2
  or resid 39 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 3.5 0.7 0.7 volume=0.560 peak=2099 ppm1=1.995 ppm2=3.633

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 106 and name HB2
  )
       ( resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 81 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.3 0.7 0.7 volume=0.796 peak=2100 ppm1=1.861 ppm2=4.208

assign ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.2 0.6 0.6 volume=1.013 peak=2101 ppm1=1.932 ppm2=4.271

assign ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 92 and name HA
  or resid 106 and name HA
  ) 3.4 0.7 0.7 volume=0.677 peak=2102 ppm1=1.763 ppm2=4.355

assign ( resid 10 and name HB3
  or resid 13 and name HD3
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 104 and name HB2
  or resid 105 and name HB3
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.3 0.7 0.7 volume=0.836 peak=2103 ppm1=1.793 ppm2=4.372

assign ( resid 10 and name HB3
  or resid 13 and name HD3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 104 and name HB2
  or resid 105 and name HB3
  )
       ( resid 3 and name HA
  or resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.2 0.6 0.6 volume=0.968 peak=2104 ppm1=1.814 ppm2=4.286

assign ( resid 31 and name HG2
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 104 and name HB3
  or resid 106 and name HB3
  )
       ( resid 5 and name HA
  or resid 20 and name HA2
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.2 0.6 0.6 volume=1.028 peak=2105 ppm1=1.725 ppm2=4.216

assign ( resid 8 and name HG
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 99 and name HB3
  )
       ( resid 5 and name HA
  or resid 20 and name HA2
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.2 0.6 0.6 volume=0.959 peak=2106 ppm1=1.666 ppm2=4.218

assign ( resid 8 and name HG
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 83 and name HB3
  or resid 97 and name HB2
  or resid 99 and name HB3
  )
       ( resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 81 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.4 0.7 0.7 volume=0.692 peak=2107 ppm1=1.652 ppm2=4.209

assign ( resid 9 and name HG12
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.3 0.7 0.7 volume=0.812 peak=2108 ppm1=1.485 ppm2=4.379

assign ( resid 29 and name HD3
  or resid 40 and name HB3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.2 0.6 0.6 volume=1.068 peak=2109 ppm1=1.410 ppm2=4.374

assign ( resid 40 and name HB3
  or resid 87 and name HG3
  or resid 89 and name HG13
  )
       ( resid 3 and name HA
  or resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.3 0.7 0.7 volume=0.895 peak=2110 ppm1=1.383 ppm2=4.286

assign ( resid 22 and name HD1#
  or resid 55 and name HB#
  or resid 59 and name HG12
  )
       ( resid 9 and name HA
  or resid 35 and name HB2
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 86 and name HA
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 106 and name HA
  ) 3.8 0.8 0.8 volume=0.595 peak=2111 ppm1=1.338 ppm2=4.335

assign ( resid 12 and name HG
  or resid 83 and name HG3
  )
       ( resid 3 and name HA
  or resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.4 0.7 0.7 volume=0.698 peak=2112 ppm1=1.280 ppm2=4.280

assign ( resid 9 and name HG13
  or resid 39 and name HB3
  or resid 42 and name HG2
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.2 0.6 0.6 volume=1.064 peak=2113 ppm1=1.124 ppm2=4.304

assign ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.3 0.7 0.7 volume=1.086 peak=2114 ppm1=1.090 ppm2=4.306

assign ( resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  ) 3.6 0.7 0.7 volume=0.814 peak=2115 ppm1=1.068 ppm2=4.251

assign ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  ) 3.8 0.8 0.8 volume=0.735 peak=2116 ppm1=1.035 ppm2=4.250

assign ( resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  )
       ( resid 5 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 79 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.5 0.7 0.7 volume=0.779 peak=2117 ppm1=1.070 ppm2=4.230

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 65 and name HG2#
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.0 0.6 0.6 volume=4.686 peak=2118 ppm1=0.946 ppm2=4.265

assign ( resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 107 and name HG1#
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 2.9 0.6 0.6 volume=5.344 peak=2119 ppm1=0.873 ppm2=4.265

assign ( resid 8 and name HD1#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.1 0.6 0.6 volume=3.360 peak=2120 ppm1=0.912 ppm2=4.376

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 65 and name HG2#
  )
       ( resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 58 and name HA
  or resid 81 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.1 0.6 0.6 volume=3.463 peak=2121 ppm1=0.947 ppm2=4.202

assign ( resid 8 and name HD1#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  )
       ( resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 58 and name HA
  or resid 81 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.2 0.6 0.6 volume=2.879 peak=2122 ppm1=0.913 ppm2=4.203

assign ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  )
       ( resid 9 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 106 and name HA
  ) 3.2 0.6 0.6 volume=3.191 peak=2123 ppm1=0.843 ppm2=4.324

assign ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.2 0.6 0.6 volume=3.159 peak=2124 ppm1=0.840 ppm2=4.310

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HB3
  )
       ( resid 19 and name HA
  or resid 71 and name HA
  ) 3.7 0.7 0.7 volume=0.398 peak=2125 ppm1=1.568 ppm2=4.989

assign ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.8 0.8 0.8 volume=0.359 peak=2126 ppm1=4.072 ppm2=1.572

assign ( resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  ) 3.6 0.7 0.7 volume=0.532 peak=2127 ppm1=2.672 ppm2=1.523

assign ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.7 0.7 0.7 volume=0.392 peak=2128 ppm1=2.733 ppm2=1.483

assign ( resid 29 and name HE3
  or resid 64 and name HB3
  or resid 95 and name HB3
  )
       ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.5 0.7 0.7 volume=0.540 peak=2129 ppm1=2.790 ppm2=1.500

assign ( resid 29 and name HE3
  or resid 64 and name HB3
  or resid 95 and name HB3
  )
       ( resid 29 and name HD3
  or resid 40 and name HB3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.7 0.7 0.7 volume=0.431 peak=2130 ppm1=2.791 ppm2=1.412

assign ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  )
       ( resid 29 and name HD3
  or resid 40 and name HB3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.6 0.7 0.7 volume=0.517 peak=2131 ppm1=2.879 ppm2=1.415

assign ( resid 10 and name HG3
  or resid 34 and name HB3
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 81 and name HB2
  ) 3.5 0.7 0.7 volume=0.620 peak=2132 ppm1=2.549 ppm2=2.122

assign ( resid 10 and name HG3
  or resid 34 and name HB3
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 83 and name HB2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.6 0.7 0.7 volume=0.488 peak=2133 ppm1=2.545 ppm2=1.961

assign ( resid 10 and name HG3
  or resid 34 and name HB3
  )
       ( resid 10 and name HB3
  or resid 13 and name HD3
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 104 and name HB2
  or resid 105 and name HB3
  ) 3.6 0.7 0.7 volume=0.501 peak=2134 ppm1=2.553 ppm2=1.806

assign ( resid 7 and name HB3
  or resid 7 and name HB2
  or resid 23 and name HB2
  or resid 71 and name HB3
  or resid 72 and name HB2
  or resid 98 and name HB2
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 3.6 0.7 0.7 volume=0.479 peak=2135 ppm1=2.619 ppm2=1.986

assign ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  )
       ( resid 10 and name HB3
  or resid 13 and name HD3
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 104 and name HB2
  or resid 105 and name HB3
  ) 3.5 0.7 0.7 volume=0.606 peak=2136 ppm1=2.430 ppm2=1.807

assign ( resid 13 and name HB2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  )
       ( resid 10 and name HB3
  or resid 13 and name HD3
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 104 and name HB2
  or resid 105 and name HB3
  ) 3.5 0.7 0.7 volume=0.614 peak=2137 ppm1=2.329 ppm2=1.806

assign ( resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 65 and name HG2#
  )
       ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.0 0.6 0.6 volume=2.921 peak=2138 ppm1=0.968 ppm2=1.997

assign ( resid 9 and name HG13
  or resid 39 and name HB3
  or resid 42 and name HG2
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 2.9 0.6 0.6 volume=1.961 peak=2139 ppm1=1.129 ppm2=1.984

assign ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 89 and name HB
  or resid 102 and name HB3
  )
       ( resid 3 and name HD3
  or resid 3 and name HD2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 76 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  ) 3.6 0.7 0.7 volume=0.509 peak=2140 ppm1=1.923 ppm2=3.174

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 106 and name HB2
  )
       ( resid 13 and name HE3
  or resid 44 and name HD3
  ) 3.6 0.7 0.7 volume=0.501 peak=2141 ppm1=1.859 ppm2=3.067

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 106 and name HB2
  )
       ( resid 4 and name HB3
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.7 0.7 0.7 volume=0.444 peak=2142 ppm1=1.853 ppm2=3.010

assign ( resid 10 and name HB3
  or resid 13 and name HD3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 104 and name HB2
  or resid 105 and name HB3
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  ) 3.6 0.7 0.7 volume=0.490 peak=2143 ppm1=1.813 ppm2=2.968

assign ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  )
       ( resid 13 and name HE3
  or resid 44 and name HD3
  ) 3.6 0.7 0.7 volume=0.473 peak=2144 ppm1=1.453 ppm2=3.083

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HB3
  )
       ( resid 13 and name HE3
  or resid 44 and name HD3
  ) 3.4 0.7 0.7 volume=0.697 peak=2145 ppm1=1.572 ppm2=3.082

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 15 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 3.7 0.7 0.7 volume=0.430 peak=2146 ppm1=1.524 ppm2=3.604

assign ( resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  )
       ( resid 81 and name HN
  ) 3.6 0.7 0.7 volume=0.509 peak=2147 ppm1=2.153 ppm2=8.442

assign ( resid 20 and name HA1
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 83 and name HE3
  or resid 83 and name HE2
  )
       ( resid 23 and name HA
  or resid 68 and name HA
  ) 3.1 0.6 0.6 volume=1.129 peak=2148 ppm1=2.947 ppm2=5.184

assign ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  )
       ( resid 24 and name HN
  or resid 40 and name HN
  or resid 42 and name HN
  ) 3.9 0.8 0.8 volume=0.284 peak=2149 ppm1=1.989 ppm2=9.006

assign ( resid 21 and name HD2#
  )
       ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 8 and name HG
  or resid 15 and name HG3
  or resid 25 and name HG2
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 83 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB2
  ) 3.9 0.8 0.8 volume=0.924 peak=2150 ppm1=0.722 ppm2=1.619

assign ( resid 22 and name HD1#
  or resid 55 and name HB#
  or resid 59 and name HG12
  )
       ( resid 5 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.2 0.6 0.6 volume=1.653 peak=2151 ppm1=1.336 ppm2=4.232

assign ( resid 3 and name HN
  or resid 10 and name HN
  or resid 105 and name HN
  )
       ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 45 and name HG2#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  ) 4.5 0.9 0.9 volume=0.407 peak=2152 ppm1=8.338 ppm2=0.823

assign ( resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  )
       ( resid 23 and name HA
  ) 3.8 0.8 0.8 volume=0.383 peak=2153 ppm1=3.201 ppm2=5.162

assign ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  )
       ( resid 19 and name HA
  ) 3.7 0.7 0.7 volume=0.410 peak=2154 ppm1=1.456 ppm2=4.989

assign ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  )
       ( resid 21 and name HA
  ) 4.6 0.9 0.9 volume=0.240 peak=2155 ppm1=1.038 ppm2=5.239

assign ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  )
       ( resid 71 and name HD#
  ) 4.3 0.9 0.9 volume=0.337 peak=2156 ppm1=1.994 ppm2=6.933

assign ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG2
  )
       ( resid 45 and name HG1#
  ) 4.5 0.9 0.9 volume=0.397 peak=2157 ppm1=2.370 ppm2=0.632

assign ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  )
       ( resid 9 and name HG13
  or resid 39 and name HB3
  or resid 40 and name HG2
  or resid 42 and name HG2
  ) 3.9 0.8 0.8 volume=0.288 peak=2158 ppm1=8.889 ppm2=1.117

assign ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  )
       ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 45 and name HG2#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  ) 4.8 1.0 1.0 volume=0.278 peak=2159 ppm1=8.890 ppm2=0.819

assign ( resid 4 and name HE1
  or resid 85 and name HN
  or resid 88 and name HN
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  ) 3.7 0.7 0.7 volume=0.396 peak=2160 ppm1=7.793 ppm2=2.741

assign ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  )
       ( resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  ) 4.3 0.9 0.9 volume=0.482 peak=2161 ppm1=2.871 ppm2=0.877

assign ( resid 10 and name HG3
  or resid 34 and name HB3
  )
       ( resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.3 0.9 0.9 volume=0.522 peak=2162 ppm1=2.553 ppm2=0.882

assign ( resid 10 and name HG3
  or resid 34 and name HB3
  )
       ( resid 12 and name HD1#
  ) 4.5 0.9 0.9 volume=0.387 peak=2163 ppm1=2.555 ppm2=0.613

assign ( resid 10 and name HN
  or resid 14 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  )
       ( resid 4 and name HD2
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 72 and name HE#
  or resid 95 and name HD21
  ) 4.0 0.8 0.8 volume=0.316 peak=2164 ppm1=8.371 ppm2=6.902

assign ( resid 24 and name HN
  or resid 40 and name HN
  or resid 42 and name HN
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.7 0.7 0.7 volume=0.406 peak=2165 ppm1=9.011 ppm2=1.987

assign ( resid 24 and name HA
  or resid 52 and name HA2
  or resid 80 and name HA2
  or resid 87 and name HD2
  )
       ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 78 and name HA
  or resid 94 and name HB2
  ) 3.6 0.7 0.7 volume=0.475 peak=2166 ppm1=4.111 ppm2=3.853

assign ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  )
       ( resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  ) 3.7 0.7 0.7 volume=0.804 peak=2167 ppm1=1.984 ppm2=0.790

assign ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 39 and name HB2
  or resid 59 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  )
       ( resid 9 and name HD1#
  or resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  ) 3.7 0.7 0.7 volume=0.863 peak=2168 ppm1=1.968 ppm2=0.794

assign ( resid 24 and name HA
  or resid 52 and name HA2
  or resid 87 and name HD2
  )
       ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG2
  ) 3.9 0.8 0.8 volume=0.288 peak=2169 ppm1=4.128 ppm2=2.387

assign ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  )
       ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 3.4 0.7 0.7 volume=0.655 peak=2170 ppm1=2.727 ppm2=2.415

assign ( resid 9 and name HG13
  or resid 39 and name HB3
  or resid 42 and name HG2
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  ) 3.7 0.7 0.7 volume=0.404 peak=2171 ppm1=1.126 ppm2=2.853

assign ( resid 86 and name HN
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 106 and name HB2
  ) 3.9 0.8 0.8 volume=0.286 peak=2172 ppm1=8.832 ppm2=1.857

assign ( resid 43 and name HG1#
  )
       ( resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 4.8 1.0 1.0 volume=0.274 peak=2173 ppm1=0.452 ppm2=2.154

assign ( resid 45 and name HG2#
  )
       ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 4.3 0.9 0.9 volume=0.510 peak=2174 ppm1=0.795 ppm2=1.992

assign ( resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 91 and name HB3
  or resid 98 and name HB3
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 63 and name HD1#
  or resid 65 and name HG2#
  or resid 79 and name HD1#
  or resid 89 and name HG2#
  ) 4.3 0.9 0.9 volume=0.388 peak=2175 ppm1=2.681 ppm2=0.946

assign ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 98 and name HB2
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 59 and name HG13
  ) 3.7 0.7 0.7 volume=0.521 peak=2176 ppm1=2.645 ppm2=1.234

assign ( resid 11 and name HB3
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB3
  )
       ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 3.7 0.7 0.7 volume=0.396 peak=2177 ppm1=2.757 ppm2=1.916

assign ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  )
       ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 3.6 0.7 0.7 volume=0.456 peak=2178 ppm1=2.877 ppm2=1.923

assign ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  )
       ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 3.7 0.7 0.7 volume=0.426 peak=2179 ppm1=1.880 ppm2=2.873

assign ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  )
       ( resid 8 and name HG
  or resid 15 and name HG3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 83 and name HB3
  or resid 92 and name HB2
  or resid 97 and name HG
  or resid 97 and name HB2
  or resid 99 and name HB3
  ) 4.0 0.8 0.8 volume=0.282 peak=2180 ppm1=8.550 ppm2=1.629

assign ( resid 68 and name HN
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  ) 4.1 0.8 0.8 volume=0.302 peak=2181 ppm1=8.166 ppm2=1.086

assign ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  )
       ( resid 22 and name HD1#
  or resid 40 and name HB3
  or resid 87 and name HG3
  or resid 89 and name HG13
  ) 3.6 0.7 0.7 volume=0.607 peak=2182 ppm1=2.957 ppm2=1.379

assign ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 29 and name HD3
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.3 0.7 0.7 volume=0.781 peak=2183 ppm1=2.961 ppm2=1.454

assign ( resid 13 and name HE3
  or resid 44 and name HD3
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 29 and name HD3
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.5 0.7 0.7 volume=0.582 peak=2184 ppm1=3.079 ppm2=1.455

assign ( resid 3 and name HG2
  or resid 3 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 31 and name HG3
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  )
       ( resid 27 and name HN
  or resid 57 and name HD21
  or resid 83 and name HN
  ) 3.8 0.8 0.8 volume=0.330 peak=2185 ppm1=1.597 ppm2=7.195

assign ( resid 13 and name HG3
  or resid 29 and name HB2
  or resid 32 and name HG13
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  )
       ( resid 27 and name HN
  or resid 57 and name HD21
  or resid 83 and name HN
  ) 4.0 0.8 0.8 volume=0.261 peak=2186 ppm1=1.548 ppm2=7.197

assign ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 27 and name HN
  or resid 57 and name HD21
  or resid 83 and name HN
  ) 4.0 0.8 0.8 volume=0.275 peak=2187 ppm1=1.501 ppm2=7.187

assign ( resid 19 and name HB
  )
       ( resid 19 and name HG2#
  or resid 40 and name HG3
  or resid 42 and name HG2
  or resid 83 and name HG2
  ) 3.2 0.6 0.6 volume=1.236 peak=1 ppm1=4.195 ppm2=1.179

assign ( resid 19 and name HB
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  or resid 59 and name HD1#
  ) 4.7 0.9 0.9 volume=0.291 peak=2 ppm1=4.185 ppm2=0.630

assign ( resid 19 and name HB
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 4.0 0.8 0.8 volume=0.254 peak=3 ppm1=4.190 ppm2=1.510

assign ( resid 19 and name HB
  )
       ( resid 19 and name HA
  or resid 71 and name HA
  ) 3.4 0.7 0.7 volume=0.730 peak=4 ppm1=4.189 ppm2=5.007

assign ( resid 19 and name HB
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.4 0.7 0.7 volume=0.698 peak=5 ppm1=4.189 ppm2=8.113

assign ( resid 19 and name HB
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  or resid 101 and name HN
  ) 3.5 0.7 0.7 volume=0.576 peak=6 ppm1=4.181 ppm2=7.991

assign ( resid 76 and name HA
  )
       ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 63 and name HD1#
  or resid 65 and name HG2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.1 0.8 0.8 volume=0.620 peak=7 ppm1=3.879 ppm2=0.936

assign ( resid 76 and name HA
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 3.5 0.7 0.7 volume=0.581 peak=8 ppm1=3.875 ppm2=1.775

assign ( resid 76 and name HA
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 97 and name HB2
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 3.8 0.8 0.8 volume=0.358 peak=9 ppm1=3.874 ppm2=1.687

assign ( resid 76 and name HA
  )
       ( resid 13 and name HG3
  or resid 21 and name HG
  or resid 21 and name HB2
  or resid 22 and name HB3
  or resid 29 and name HD2
  or resid 32 and name HG13
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 90 and name HB2
  ) 3.7 0.7 0.7 volume=0.387 peak=10 ppm1=3.870 ppm2=1.545

assign ( resid 76 and name HA
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 4.0 0.8 0.8 volume=0.268 peak=11 ppm1=3.867 ppm2=2.137

assign ( resid 76 and name HA
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 44 and name HD2
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 3.7 0.7 0.7 volume=0.404 peak=12 ppm1=3.868 ppm2=3.164

assign ( resid 76 and name HA
  )
       ( resid 76 and name HN
  ) 3.7 0.7 0.7 volume=0.394 peak=13 ppm1=3.872 ppm2=9.436

assign ( resid 35 and name HB2
  )
       ( resid 36 and name HN
  ) 3.9 0.8 0.8 volume=0.325 peak=14 ppm1=4.303 ppm2=8.707

assign ( resid 35 and name HB2
  )
       ( resid 10 and name HN
  or resid 14 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 106 and name HN
  ) 3.9 0.8 0.8 volume=0.319 peak=15 ppm1=4.293 ppm2=8.366

assign ( resid 35 and name HB3
  )
       ( resid 10 and name HN
  or resid 14 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 106 and name HN
  ) 3.4 0.7 0.7 volume=0.652 peak=16 ppm1=4.059 ppm2=8.366

assign ( resid 35 and name HB2
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  or resid 37 and name HN
  or resid 77 and name HN
  or resid 101 and name HN
  ) 4.0 0.8 0.8 volume=0.280 peak=17 ppm1=4.305 ppm2=8.026

assign ( resid 35 and name HB3
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  or resid 37 and name HN
  or resid 77 and name HN
  or resid 101 and name HN
  ) 4.0 0.8 0.8 volume=0.274 peak=18 ppm1=4.057 ppm2=8.024

assign ( resid 35 and name HB3
  )
       ( resid 36 and name HN
  ) 4.1 0.8 0.8 volume=0.238 peak=19 ppm1=4.061 ppm2=8.708

assign ( resid 49 and name HA
  )
       ( resid 49 and name HN
  ) 3.7 0.7 0.7 volume=0.407 peak=20 ppm1=3.950 ppm2=9.179

assign ( resid 60 and name HA
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.7 0.7 0.7 volume=0.403 peak=21 ppm1=4.268 ppm2=8.888

assign ( resid 35 and name HB3
  )
       ( resid 7 and name HA
  or resid 35 and name HA
  or resid 62 and name HA
  ) 3.7 0.7 0.7 volume=0.397 peak=22 ppm1=4.069 ppm2=4.641

assign ( resid 35 and name HB2
  )
       ( resid 7 and name HA
  or resid 8 and name HA
  or resid 35 and name HA
  ) 3.5 0.7 0.7 volume=0.593 peak=23 ppm1=4.309 ppm2=4.627

assign ( resid 35 and name HB3
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 56 and name HA
  or resid 59 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.0 0.6 0.6 volume=1.494 peak=24 ppm1=4.063 ppm2=4.313

assign ( resid 35 and name HB2
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.0 0.6 0.6 volume=1.464 peak=25 ppm1=4.312 ppm2=4.075

assign ( resid 35 and name HB2
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  ) 4.0 0.8 0.8 volume=0.331 peak=26 ppm1=4.313 ppm2=1.096

assign ( resid 35 and name HB3
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  ) 4.2 0.8 0.8 volume=0.274 peak=27 ppm1=4.074 ppm2=1.082

assign ( resid 60 and name HA
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.7 0.7 0.7 volume=1.266 peak=28 ppm1=4.269 ppm2=0.904

assign ( resid 60 and name HA
  )
       ( resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  ) 4.0 0.8 0.8 volume=0.507 peak=29 ppm1=4.265 ppm2=0.790

assign ( resid 31 and name HA
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.6 0.7 0.7 volume=0.477 peak=30 ppm1=4.286 ppm2=1.586

assign ( resid 60 and name HA
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.8 0.8 0.8 volume=0.365 peak=31 ppm1=4.263 ppm2=1.566

assign ( resid 31 and name HA
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 5 and name HB2
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  ) 3.5 0.7 0.7 volume=0.542 peak=32 ppm1=4.284 ppm2=1.893

assign ( resid 60 and name HA
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.9 0.8 0.8 volume=0.319 peak=33 ppm1=4.255 ppm2=2.132

assign ( resid 31 and name HA
  or resid 39 and name HA
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.4 0.7 0.7 volume=0.759 peak=34 ppm1=4.291 ppm2=2.139

assign ( resid 31 and name HA
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 4.1 0.8 0.8 volume=0.446 peak=35 ppm1=4.289 ppm2=1.029

assign ( resid 60 and name HA
  )
       ( resid 22 and name HD2#
  or resid 29 and name HG2
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 65 and name HG2#
  or resid 70 and name HB#
  ) 4.1 0.8 0.8 volume=0.380 peak=36 ppm1=4.260 ppm2=1.010

assign ( resid 31 and name HA
  )
       ( resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  ) 3.6 0.7 0.7 volume=0.888 peak=37 ppm1=4.292 ppm2=0.791

assign ( resid 49 and name HA
  )
       ( resid 11 and name HB3
  or resid 29 and name HE3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 64 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB3
  ) 3.8 0.8 0.8 volume=0.384 peak=38 ppm1=3.942 ppm2=2.767

assign ( resid 49 and name HA
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.3 0.7 0.7 volume=0.770 peak=39 ppm1=3.957 ppm2=3.020

assign ( resid 39 and name HA
  )
       ( resid 24 and name HN
  or resid 40 and name HN
  ) 3.4 0.7 0.7 volume=0.756 peak=40 ppm1=4.317 ppm2=9.012

assign ( resid 59 and name HA
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.6 0.7 0.7 volume=0.455 peak=41 ppm1=4.342 ppm2=8.883

assign ( resid 59 and name HA
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 86 and name HN
  or resid 90 and name HN
  ) 3.9 0.8 0.8 volume=0.317 peak=42 ppm1=4.321 ppm2=8.868

assign ( resid 15 and name HA
  )
       ( resid 47 and name HN
  or resid 86 and name HN
  ) 3.8 0.8 0.8 volume=0.363 peak=43 ppm1=3.693 ppm2=8.812

assign ( resid 1 and name HB2
  or resid 11 and name HA
  or resid 94 and name HB2
  )
       ( resid 11 and name HN
  or resid 89 and name HN
  ) 3.6 0.7 0.7 volume=0.479 peak=44 ppm1=3.840 ppm2=8.755

assign ( resid 37 and name HA
  or resid 65 and name HA
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  or resid 65 and name HN
  ) 4.0 0.8 0.8 volume=0.270 peak=45 ppm1=4.003 ppm2=8.564

assign ( resid 37 and name HA
  or resid 65 and name HA
  )
       ( resid 25 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 63 and name HN
  or resid 67 and name HN
  or resid 81 and name HN
  ) 3.0 0.6 0.6 volume=1.572 peak=46 ppm1=4.017 ppm2=8.445

assign ( resid 15 and name HA
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.4 0.7 0.7 volume=0.695 peak=47 ppm1=3.711 ppm2=8.253

assign ( resid 37 and name HA
  or resid 65 and name HA
  )
       ( resid 30 and name HN
  or resid 37 and name HN
  or resid 77 and name HN
  ) 3.8 0.8 0.8 volume=0.378 peak=48 ppm1=4.023 ppm2=8.037

assign ( resid 50 and name HB3
  )
       ( resid 4 and name HE1
  or resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 100 and name HE1
  ) 3.6 0.7 0.7 volume=0.480 peak=49 ppm1=3.893 ppm2=7.856

assign ( resid 50 and name HB2
  )
       ( resid 4 and name HE1
  or resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 100 and name HE1
  ) 3.9 0.8 0.8 volume=0.320 peak=50 ppm1=3.650 ppm2=7.851

assign ( resid 11 and name HA
  )
       ( resid 4 and name HE1
  or resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 88 and name HN
  or resid 100 and name HE1
  ) 4.0 0.8 0.8 volume=0.275 peak=51 ppm1=3.859 ppm2=7.837

assign ( resid 50 and name HB3
  )
       ( resid 6 and name HE#
  or resid 51 and name HN
  or resid 51 and name HD#
  or resid 55 and name HN
  or resid 62 and name HD21
  or resid 101 and name HE#
  or resid 101 and name HZ
  ) 4.0 0.8 0.8 volume=0.344 peak=52 ppm1=3.886 ppm2=7.337

assign ( resid 50 and name HB2
  )
       ( resid 6 and name HE#
  or resid 51 and name HN
  or resid 51 and name HD#
  or resid 55 and name HN
  or resid 62 and name HD21
  or resid 101 and name HE#
  ) 4.1 0.8 0.8 volume=0.286 peak=53 ppm1=3.635 ppm2=7.360

assign ( resid 107 and name HA
  )
       ( resid 68 and name HD21
  or resid 80 and name HN
  or resid 85 and name HN
  or resid 107 and name HN
  ) 3.6 0.7 0.7 volume=0.455 peak=54 ppm1=4.057 ppm2=7.758

assign ( resid 87 and name HA
  )
       ( resid 48 and name HD21
  or resid 85 and name HN
  or resid 88 and name HN
  ) 3.9 0.8 0.8 volume=0.301 peak=55 ppm1=5.104 ppm2=7.804

assign ( resid 39 and name HA
  )
       ( resid 41 and name HA
  or resid 73 and name HA
  or resid 87 and name HA
  ) 3.6 0.7 0.7 volume=0.494 peak=56 ppm1=4.308 ppm2=5.108

assign ( resid 15 and name HA
  )
       ( resid 10 and name HA
  or resid 19 and name HA
  or resid 36 and name HA
  or resid 46 and name HA
  ) 3.5 0.7 0.7 volume=0.583 peak=57 ppm1=3.703 ppm2=4.965

assign ( resid 50 and name HB2
  )
       ( resid 3 and name HA
  or resid 5 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 32 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  or resid 103 and name HA
  ) 3.2 0.6 0.6 volume=0.930 peak=58 ppm1=3.631 ppm2=4.248

assign ( resid 2 and name HB2
  or resid 94 and name HB3
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.1 0.6 0.6 volume=1.331 peak=59 ppm1=3.931 ppm2=4.552

assign ( resid 2 and name HB3
  or resid 94 and name HB2
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 16 and name HA2
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.0 0.6 0.6 volume=1.335 peak=60 ppm1=3.868 ppm2=4.545

assign ( resid 1 and name HB3
  or resid 2 and name HB2
  or resid 94 and name HB3
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  ) 2.7 0.5 0.5 volume=2.551 peak=61 ppm1=3.904 ppm2=4.468

assign ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 94 and name HB2
  )
       ( resid 28 and name HA1
  or resid 63 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 84 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  ) 2.8 0.6 0.6 volume=2.042 peak=62 ppm1=3.847 ppm2=4.436

assign ( resid 50 and name HB3
  )
       ( resid 39 and name HD2
  or resid 39 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 2.9 0.6 0.6 volume=1.724 peak=63 ppm1=3.894 ppm2=3.637

assign ( resid 50 and name HB2
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 1 and name HB3
  or resid 2 and name HB3
  or resid 2 and name HB2
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 78 and name HA
  or resid 94 and name HB3
  ) 2.9 0.6 0.6 volume=1.679 peak=64 ppm1=3.632 ppm2=3.892

assign ( resid 50 and name HB2
  )
       ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 3.7 0.7 0.7 volume=0.412 peak=65 ppm1=3.636 ppm2=2.398

assign ( resid 50 and name HB3
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 60 and name HB
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 3.7 0.7 0.7 volume=0.419 peak=66 ppm1=3.895 ppm2=2.096

assign ( resid 50 and name HB2
  )
       ( resid 12 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 40 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.7 0.7 0.7 volume=0.407 peak=67 ppm1=3.630 ppm2=2.016

assign ( resid 15 and name HA
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 44 and name HB2
  or resid 56 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.6 0.7 0.7 volume=0.482 peak=68 ppm1=3.705 ppm2=1.988

assign ( resid 37 and name HA
  or resid 65 and name HA
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.4 0.7 0.7 volume=0.707 peak=69 ppm1=3.998 ppm2=2.005

assign ( resid 15 and name HA
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 104 and name HB2
  or resid 106 and name HB2
  ) 3.6 0.7 0.7 volume=0.472 peak=70 ppm1=3.707 ppm2=1.856

assign ( resid 15 and name HA
  )
       ( resid 3 and name HG2
  or resid 8 and name HG
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG12
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  or resid 97 and name HB2
  or resid 99 and name HB3
  ) 3.8 0.8 0.8 volume=0.332 peak=71 ppm1=3.699 ppm2=1.623

assign ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 94 and name HB2
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.8 0.8 0.8 volume=0.370 peak=72 ppm1=3.852 ppm2=1.587

assign ( resid 11 and name HA
  or resid 94 and name HB2
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 78 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 4.0 0.8 0.8 volume=0.271 peak=73 ppm1=3.831 ppm2=1.485

assign ( resid 37 and name HA
  or resid 65 and name HA
  )
       ( resid 8 and name HG
  or resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 97 and name HB2
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 4.0 0.8 0.8 volume=0.264 peak=74 ppm1=4.026 ppm2=1.681

assign ( resid 37 and name HA
  or resid 65 and name HA
  )
       ( resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB2
  or resid 102 and name HG2
  or resid 102 and name HG3
  ) 3.9 0.8 0.8 volume=0.320 peak=75 ppm1=4.025 ppm2=2.181

assign ( resid 50 and name HB3
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 3.9 0.8 0.8 volume=0.324 peak=76 ppm1=3.889 ppm2=2.428

assign ( resid 50 and name HB3
  )
       ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 3.8 0.8 0.8 volume=0.359 peak=77 ppm1=3.914 ppm2=2.398

assign ( resid 11 and name HA
  )
       ( resid 13 and name HB2
  or resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 4.0 0.8 0.8 volume=0.277 peak=78 ppm1=3.853 ppm2=2.368

assign ( resid 15 and name HA
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 4.0 0.8 0.8 volume=0.285 peak=79 ppm1=3.707 ppm2=2.160

assign ( resid 50 and name HB2
  )
       ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 3.9 0.8 0.8 volume=0.314 peak=80 ppm1=3.614 ppm2=2.417

assign ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 94 and name HB2
  )
       ( resid 11 and name HB2
  or resid 20 and name HA1
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 64 and name HB2
  ) 3.8 0.8 0.8 volume=0.372 peak=81 ppm1=3.841 ppm2=2.903

assign ( resid 87 and name HA
  )
       ( resid 7 and name HB3
  or resid 10 and name HG3
  or resid 23 and name HB2
  or resid 34 and name HB3
  or resid 40 and name HE2
  or resid 72 and name HB2
  ) 3.9 0.8 0.8 volume=0.315 peak=82 ppm1=5.096 ppm2=2.581

assign ( resid 87 and name HA
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 3.8 0.8 0.8 volume=0.376 peak=83 ppm1=5.104 ppm2=2.439

assign ( resid 87 and name HA
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.1 0.6 0.6 volume=1.215 peak=84 ppm1=5.094 ppm2=2.158

assign ( resid 87 and name HA
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.6 0.7 0.7 volume=0.534 peak=85 ppm1=5.093 ppm2=1.974

assign ( resid 87 and name HA
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 104 and name HB2
  or resid 106 and name HB2
  ) 3.7 0.7 0.7 volume=0.398 peak=86 ppm1=5.105 ppm2=1.853

assign ( resid 87 and name HA
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.5 0.9 0.9 volume=0.387 peak=87 ppm1=5.101 ppm2=0.909

assign ( resid 87 and name HA
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.5 0.9 0.9 volume=0.400 peak=88 ppm1=5.081 ppm2=0.912

assign ( resid 87 and name HA
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  or resid 59 and name HD1#
  ) 4.7 0.9 0.9 volume=0.310 peak=89 ppm1=5.109 ppm2=0.631

assign ( resid 39 and name HA
  )
       ( resid 9 and name HG13
  or resid 19 and name HG2#
  or resid 39 and name HB3
  or resid 42 and name HG2
  ) 3.7 0.7 0.7 volume=0.510 peak=90 ppm1=4.310 ppm2=1.151

assign ( resid 59 and name HA
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  ) 3.4 0.7 0.7 volume=0.988 peak=91 ppm1=4.343 ppm2=1.083

assign ( resid 37 and name HA
  or resid 65 and name HA
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  ) 3.2 0.6 0.6 volume=1.447 peak=92 ppm1=4.010 ppm2=1.082

assign ( resid 65 and name HA
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 65 and name HG2#
  or resid 70 and name HB#
  ) 3.7 0.7 0.7 volume=0.888 peak=93 ppm1=3.996 ppm2=0.980

assign ( resid 1 and name HB2
  or resid 1 and name HB3
  or resid 2 and name HB3
  or resid 2 and name HB2
  or resid 94 and name HB3
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.9 0.8 0.8 volume=0.851 peak=94 ppm1=3.893 ppm2=0.889

assign ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 94 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD1#
  or resid 97 and name HD2#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.6 0.7 0.7 volume=1.457 peak=95 ppm1=3.843 ppm2=0.884

assign ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 94 and name HB2
  )
       ( resid 21 and name HD2#
  or resid 42 and name HG3
  or resid 60 and name HD1#
  or resid 90 and name HD1#
  ) 4.1 0.8 0.8 volume=0.452 peak=96 ppm1=3.847 ppm2=0.752

assign ( resid 50 and name HB3
  )
       ( resid 12 and name HD1#
  or resid 45 and name HG1#
  ) 4.3 0.9 0.9 volume=0.538 peak=97 ppm1=3.896 ppm2=0.648

assign ( resid 50 and name HB2
  )
       ( resid 12 and name HD1#
  or resid 45 and name HG1#
  ) 4.0 0.8 0.8 volume=0.753 peak=98 ppm1=3.641 ppm2=0.652

assign ( resid 59 and name HA
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 59 and name HD1#
  ) 4.6 0.9 0.9 volume=0.336 peak=99 ppm1=4.333 ppm2=0.593

assign ( resid 37 and name HA
  or resid 65 and name HA
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 59 and name HG13
  or resid 83 and name HG3
  ) 3.4 0.7 0.7 volume=0.773 peak=100 ppm1=4.027 ppm2=1.263

assign ( resid 87 and name HA
  )
       ( resid 29 and name HD3
  or resid 40 and name HB3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.9 0.8 0.8 volume=0.302 peak=101 ppm1=5.108 ppm2=1.409

assign ( resid 32 and name HA
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.9 0.8 0.8 volume=0.303 peak=102 ppm1=4.214 ppm2=1.586

assign ( resid 43 and name HA
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 22 and name HB3
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HB3
  ) 3.7 0.7 0.7 volume=0.410 peak=103 ppm1=3.626 ppm2=1.555

assign ( resid 43 and name HA
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HB3
  ) 3.7 0.7 0.7 volume=0.426 peak=104 ppm1=3.601 ppm2=1.558

assign ( resid 74 and name HA
  )
       ( resid 22 and name HD1#
  or resid 29 and name HD3
  or resid 40 and name HB3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  ) 3.9 0.8 0.8 volume=0.342 peak=105 ppm1=3.804 ppm2=1.381

assign ( resid 74 and name HA
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 40 and name HG3
  or resid 59 and name HG13
  or resid 83 and name HG2
  ) 3.7 0.7 0.7 volume=0.446 peak=106 ppm1=3.808 ppm2=1.231

assign ( resid 74 and name HA
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  ) 3.7 0.7 0.7 volume=0.481 peak=107 ppm1=3.798 ppm2=1.104

assign ( resid 17 and name HA
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 63 and name HD1#
  or resid 65 and name HG2#
  or resid 67 and name HG1#
  ) 3.1 0.6 0.6 volume=3.085 peak=108 ppm1=4.262 ppm2=0.959

assign ( resid 32 and name HA
  )
       ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 63 and name HD1#
  or resid 65 and name HG2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG2#
  ) 3.5 0.7 0.7 volume=1.588 peak=109 ppm1=4.212 ppm2=0.940

assign ( resid 67 and name HA
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.2 0.6 0.6 volume=2.958 peak=110 ppm1=4.403 ppm2=0.921

assign ( resid 67 and name HA
  )
       ( resid 21 and name HD2#
  or resid 90 and name HD1#
  ) 4.3 0.9 0.9 volume=0.481 peak=111 ppm1=4.413 ppm2=0.730

assign ( resid 67 and name HA
  )
       ( resid 21 and name HD2#
  or resid 90 and name HD1#
  ) 4.6 0.9 0.9 volume=0.352 peak=112 ppm1=4.384 ppm2=0.729

assign ( resid 67 and name HA
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  or resid 59 and name HD1#
  ) 4.7 0.9 0.9 volume=0.305 peak=113 ppm1=4.395 ppm2=0.602

assign ( resid 67 and name HA
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 59 and name HD1#
  ) 4.8 1.0 1.0 volume=0.278 peak=114 ppm1=4.423 ppm2=0.585

assign ( resid 43 and name HA
  )
       ( resid 43 and name HG1#
  ) 4.1 0.8 0.8 volume=0.636 peak=115 ppm1=3.607 ppm2=0.467

assign ( resid 43 and name HA
  )
       ( resid 43 and name HG2#
  ) 4.1 0.8 0.8 volume=0.675 peak=116 ppm1=3.612 ppm2=-0.109

assign ( resid 67 and name HA
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  ) 4.2 0.8 0.8 volume=0.256 peak=117 ppm1=4.405 ppm2=1.082

assign ( resid 17 and name HA
  or resid 77 and name HA
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 3.6 0.7 0.7 volume=0.530 peak=118 ppm1=4.267 ppm2=3.156

assign ( resid 32 and name HA
  )
       ( resid 3 and name HD3
  or resid 32 and name HB
  or resid 44 and name HD3
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 3.8 0.8 0.8 volume=0.337 peak=119 ppm1=4.221 ppm2=3.130

assign ( resid 77 and name HA
  )
       ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 71 and name HB3
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 3.7 0.7 0.7 volume=0.413 peak=120 ppm1=4.279 ppm2=2.663

assign ( resid 17 and name HA
  or resid 77 and name HA
  )
       ( resid 17 and name HB
  or resid 54 and name HB2
  or resid 75 and name HB3
  or resid 75 and name HB2
  or resid 102 and name HG2
  ) 3.0 0.6 0.6 volume=1.403 peak=121 ppm1=4.263 ppm2=2.256

assign ( resid 67 and name HA
  )
       ( resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  or resid 102 and name HG3
  ) 3.0 0.6 0.6 volume=1.583 peak=122 ppm1=4.406 ppm2=2.174

assign ( resid 32 and name HA
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.6 0.7 0.7 volume=0.496 peak=123 ppm1=4.205 ppm2=2.141

assign ( resid 39 and name HA
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 3.4 0.7 0.7 volume=0.639 peak=124 ppm1=4.307 ppm2=1.996

assign ( resid 59 and name HA
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.4 0.7 0.7 volume=0.754 peak=125 ppm1=4.347 ppm2=1.970

assign ( resid 39 and name HA
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 3.8 0.8 0.8 volume=0.366 peak=126 ppm1=4.314 ppm2=1.768

assign ( resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 94 and name HB2
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 91 and name HB3
  or resid 95 and name HB3
  ) 3.6 0.7 0.7 volume=0.528 peak=127 ppm1=3.856 ppm2=2.747

assign ( resid 74 and name HA
  )
       ( resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  ) 3.8 0.8 0.8 volume=0.370 peak=128 ppm1=3.821 ppm2=3.448

assign ( resid 74 and name HA
  )
       ( resid 58 and name HB3
  or resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 3.8 0.8 0.8 volume=0.378 peak=129 ppm1=3.795 ppm2=3.353

assign ( resid 43 and name HA
  )
       ( resid 4 and name HD2
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 72 and name HE#
  or resid 95 and name HD21
  ) 3.7 0.7 0.7 volume=0.496 peak=130 ppm1=3.598 ppm2=6.897

assign ( resid 43 and name HA
  )
       ( resid 44 and name HN
  or resid 79 and name HN
  or resid 84 and name HN
  or resid 88 and name HE
  or resid 91 and name HD21
  or resid 95 and name HD22
  ) 3.5 0.7 0.7 volume=0.614 peak=131 ppm1=3.623 ppm2=7.603

assign ( resid 43 and name HA
  )
       ( resid 44 and name HN
  or resid 79 and name HN
  or resid 84 and name HN
  or resid 88 and name HE
  or resid 91 and name HD21
  or resid 95 and name HD22
  ) 3.3 0.7 0.7 volume=0.808 peak=132 ppm1=3.604 ppm2=7.600

assign ( resid 43 and name HA
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.9 0.8 0.8 volume=0.297 peak=133 ppm1=3.606 ppm2=8.135

assign ( resid 74 and name HA
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 4.1 0.8 0.8 volume=0.238 peak=134 ppm1=3.807 ppm2=8.125

assign ( resid 77 and name HA
  )
       ( resid 18 and name HE21
  or resid 68 and name HD21
  or resid 80 and name HN
  or resid 107 and name HN
  ) 3.9 0.8 0.8 volume=0.288 peak=135 ppm1=4.260 ppm2=7.728

assign ( resid 17 and name HA
  or resid 77 and name HA
  )
       ( resid 30 and name HN
  or resid 37 and name HN
  or resid 77 and name HN
  ) 3.9 0.8 0.8 volume=0.300 peak=136 ppm1=4.266 ppm2=8.060

assign ( resid 17 and name HA
  or resid 77 and name HA
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.5 0.7 0.7 volume=0.619 peak=137 ppm1=4.268 ppm2=8.213

assign ( resid 67 and name HA
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 3.6 0.7 0.7 volume=0.532 peak=138 ppm1=4.399 ppm2=8.484

assign ( resid 67 and name HA
  )
       ( resid 6 and name HN
  or resid 45 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 75 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  ) 3.6 0.7 0.7 volume=0.533 peak=139 ppm1=4.408 ppm2=8.178

assign ( resid 32 and name HA
  )
       ( resid 18 and name HN
  or resid 32 and name HN
  or resid 65 and name HN
  ) 3.8 0.8 0.8 volume=0.357 peak=140 ppm1=4.207 ppm2=8.622

assign ( resid 17 and name HA
  or resid 77 and name HA
  )
       ( resid 18 and name HN
  or resid 32 and name HN
  or resid 65 and name HN
  ) 3.9 0.8 0.8 volume=0.315 peak=141 ppm1=4.260 ppm2=8.604

assign ( resid 37 and name HA
  or resid 65 and name HA
  )
       ( resid 66 and name HN
  or resid 74 and name HN
  ) 3.0 0.6 0.6 volume=1.476 peak=142 ppm1=4.001 ppm2=9.073

assign ( resid 77 and name HA
  )
       ( resid 82 and name HN
  ) 3.9 0.8 0.8 volume=0.314 peak=143 ppm1=4.274 ppm2=9.254

assign ( resid 74 and name HA
  )
       ( resid 40 and name HN
  or resid 66 and name HN
  or resid 74 and name HN
  ) 4.0 0.8 0.8 volume=0.257 peak=144 ppm1=3.812 ppm2=9.047

assign ( resid 9 and name HA
  )
       ( resid 7 and name HN
  or resid 10 and name HN
  or resid 26 and name HN
  or resid 35 and name HN
  or resid 105 and name HN
  ) 2.8 0.6 0.6 volume=2.351 peak=145 ppm1=4.319 ppm2=8.324

assign ( resid 26 and name HA
  )
       ( resid 7 and name HN
  or resid 10 and name HN
  or resid 16 and name HN
  or resid 26 and name HN
  or resid 100 and name HN
  or resid 105 and name HN
  ) 3.6 0.7 0.7 volume=0.512 peak=146 ppm1=4.058 ppm2=8.297

assign ( resid 19 and name HA
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.5 0.7 0.7 volume=0.631 peak=147 ppm1=4.991 ppm2=8.128

assign ( resid 19 and name HA
  )
       ( resid 8 and name HN
  or resid 20 and name HN
  or resid 64 and name HD21
  or resid 101 and name HN
  ) 3.3 0.7 0.7 volume=0.796 peak=148 ppm1=4.996 ppm2=7.977

assign ( resid 26 and name HA
  )
       ( resid 27 and name HN
  or resid 57 and name HD21
  or resid 74 and name HZ3
  or resid 83 and name HN
  or resid 101 and name HD#
  ) 4.0 0.8 0.8 volume=0.285 peak=149 ppm1=4.080 ppm2=7.193

assign ( resid 26 and name HA
  )
       ( resid 27 and name HN
  or resid 36 and name HD#
  or resid 57 and name HD21
  or resid 83 and name HN
  ) 4.0 0.8 0.8 volume=0.287 peak=150 ppm1=4.051 ppm2=7.180

assign ( resid 19 and name HA
  )
       ( resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 58 and name HA
  or resid 81 and name HA
  or resid 102 and name HA
  ) 3.4 0.7 0.7 volume=0.668 peak=151 ppm1=5.002 ppm2=4.198

assign ( resid 19 and name HA
  )
       ( resid 23 and name HA
  or resid 44 and name HA
  ) 3.4 0.7 0.7 volume=0.640 peak=152 ppm1=4.998 ppm2=5.143

assign ( resid 26 and name HA
  )
       ( resid 6 and name HB2
  or resid 26 and name HB2
  or resid 33 and name HB2
  or resid 36 and name HB3
  or resid 41 and name HD2
  or resid 41 and name HD3
  or resid 82 and name HA
  ) 3.5 0.7 0.7 volume=0.567 peak=153 ppm1=4.075 ppm2=3.277

assign ( resid 26 and name HA
  )
       ( resid 26 and name HB3
  or resid 29 and name HE3
  or resid 64 and name HB3
  or resid 71 and name HB2
  or resid 91 and name HB2
  or resid 95 and name HB2
  or resid 95 and name HB3
  ) 3.4 0.7 0.7 volume=0.649 peak=154 ppm1=4.065 ppm2=2.814

assign ( resid 9 and name HA
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 3.3 0.7 0.7 volume=0.859 peak=155 ppm1=4.321 ppm2=1.787

assign ( resid 9 and name HA
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.9 0.8 0.8 volume=0.288 peak=156 ppm1=4.326 ppm2=1.966

assign ( resid 19 and name HA
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 4.0 0.8 0.8 volume=0.279 peak=157 ppm1=4.987 ppm2=1.594

assign ( resid 19 and name HA
  )
       ( resid 19 and name HG2#
  or resid 40 and name HG3
  or resid 42 and name HG2
  or resid 83 and name HG2
  ) 3.4 0.7 0.7 volume=0.879 peak=158 ppm1=4.992 ppm2=1.178

assign ( resid 19 and name HA
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 29 and name HD3
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 4.1 0.8 0.8 volume=0.233 peak=159 ppm1=4.992 ppm2=1.456

assign ( resid 26 and name HA
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 29 and name HD3
  or resid 44 and name HG3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.8 0.8 0.8 volume=0.359 peak=160 ppm1=4.067 ppm2=1.435

assign ( resid 26 and name HA
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 4.4 0.9 0.9 volume=0.313 peak=161 ppm1=4.058 ppm2=1.030

assign ( resid 9 and name HA
  )
       ( resid 9 and name HG13
  or resid 37 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HG2
  or resid 42 and name HG2
  ) 3.6 0.7 0.7 volume=0.533 peak=162 ppm1=4.322 ppm2=1.129

assign ( resid 9 and name HA
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD1#
  or resid 97 and name HD2#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.4 0.7 0.7 volume=2.043 peak=163 ppm1=4.316 ppm2=0.879

assign ( resid 89 and name HA
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 78 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.8 0.8 0.8 volume=0.361 peak=164 ppm1=4.371 ppm2=1.481

assign ( resid 9 and name HA
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 78 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.5 0.7 0.7 volume=0.569 peak=165 ppm1=4.321 ppm2=1.478

assign ( resid 50 and name HA
  )
       ( resid 12 and name HD1#
  or resid 45 and name HG1#
  ) 4.3 0.9 0.9 volume=0.499 peak=166 ppm1=4.255 ppm2=0.650

assign ( resid 89 and name HA
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.5 0.7 0.7 volume=1.638 peak=167 ppm1=4.372 ppm2=0.915

assign ( resid 58 and name HA
  )
       ( resid 21 and name HB3
  or resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 40 and name HD3
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 4.0 0.8 0.8 volume=0.430 peak=168 ppm1=4.236 ppm2=1.052

assign ( resid 24 and name HA
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.1 0.8 0.8 volume=0.673 peak=169 ppm1=4.120 ppm2=0.916

assign ( resid 47 and name HA
  or resid 53 and name HA
  or resid 88 and name HA
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.5 0.9 0.9 volume=0.399 peak=170 ppm1=4.056 ppm2=0.913

assign ( resid 88 and name HA
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.7 0.9 0.9 volume=0.318 peak=171 ppm1=4.034 ppm2=0.900

assign ( resid 78 and name HA
  )
       ( resid 3 and name HG2
  or resid 8 and name HG
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG12
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  or resid 97 and name HB2
  or resid 99 and name HB3
  ) 3.2 0.6 0.6 volume=0.919 peak=172 ppm1=3.848 ppm2=1.622

assign ( resid 78 and name HA
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 78 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.5 0.7 0.7 volume=0.572 peak=173 ppm1=3.853 ppm2=1.476

assign ( resid 50 and name HA
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 60 and name HB
  or resid 78 and name HB3
  or resid 87 and name HB3
  or resid 107 and name HB
  ) 3.9 0.8 0.8 volume=0.337 peak=174 ppm1=4.239 ppm2=2.103

assign ( resid 24 and name HA
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 31 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 60 and name HB
  or resid 78 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  or resid 107 and name HB
  ) 2.8 0.6 0.6 volume=2.138 peak=175 ppm1=4.120 ppm2=2.110

assign ( resid 47 and name HA
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 60 and name HB
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 2.9 0.6 0.6 volume=1.723 peak=176 ppm1=4.089 ppm2=2.092

assign ( resid 47 and name HA
  or resid 88 and name HA
  )
       ( resid 12 and name HB2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 2.9 0.6 0.6 volume=2.004 peak=177 ppm1=4.069 ppm2=2.079

assign ( resid 47 and name HA
  or resid 88 and name HA
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.4 0.7 0.7 volume=0.724 peak=178 ppm1=4.066 ppm2=1.967

assign ( resid 78 and name HA
  )
       ( resid 12 and name HB2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 3.6 0.7 0.7 volume=0.462 peak=179 ppm1=3.848 ppm2=2.076

assign ( resid 24 and name HA
  )
       ( resid 10 and name HG3
  or resid 27 and name HB3
  or resid 33 and name HB3
  or resid 34 and name HB3
  or resid 57 and name HB3
  ) 3.5 0.7 0.7 volume=0.609 peak=180 ppm1=4.120 ppm2=2.516

assign ( resid 75 and name HA
  )
       ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 69 and name HB2
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 3.7 0.7 0.7 volume=0.443 peak=181 ppm1=4.412 ppm2=2.409

assign ( resid 50 and name HA
  )
       ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 3.9 0.8 0.8 volume=0.313 peak=182 ppm1=4.235 ppm2=2.373

assign ( resid 24 and name HA
  )
       ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 3.1 0.6 0.6 volume=1.114 peak=183 ppm1=4.115 ppm2=2.373

assign ( resid 47 and name HA
  or resid 88 and name HA
  )
       ( resid 13 and name HB2
  or resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  ) 3.2 0.6 0.6 volume=1.002 peak=184 ppm1=4.063 ppm2=2.353

assign ( resid 75 and name HA
  )
       ( resid 17 and name HB
  or resid 54 and name HB2
  or resid 75 and name HB3
  or resid 75 and name HB2
  ) 3.3 0.7 0.7 volume=0.890 peak=185 ppm1=4.405 ppm2=2.274

assign ( resid 24 and name HA
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 20 and name HA1
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  ) 3.6 0.7 0.7 volume=0.530 peak=186 ppm1=4.115 ppm2=2.957

assign ( resid 50 and name HA
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 1 and name HB3
  or resid 2 and name HB3
  or resid 2 and name HB2
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 94 and name HB3
  ) 3.2 0.6 0.6 volume=1.035 peak=187 ppm1=4.248 ppm2=3.895

assign ( resid 50 and name HA
  )
       ( resid 39 and name HD2
  or resid 39 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 3.2 0.6 0.6 volume=0.991 peak=188 ppm1=4.246 ppm2=3.634

assign ( resid 89 and name HA
  )
       ( resid 10 and name HA
  or resid 36 and name HA
  or resid 46 and name HA
  ) 3.7 0.7 0.7 volume=0.436 peak=189 ppm1=4.366 ppm2=4.939

assign ( resid 58 and name HA
  )
       ( resid 22 and name HA
  ) 3.8 0.8 0.8 volume=0.338 peak=190 ppm1=4.227 ppm2=6.040

assign ( resid 50 and name HA
  )
       ( resid 6 and name HE#
  or resid 51 and name HN
  or resid 51 and name HD#
  or resid 55 and name HN
  or resid 62 and name HD21
  or resid 101 and name HE#
  ) 3.8 0.8 0.8 volume=0.514 peak=191 ppm1=4.243 ppm2=7.345

assign ( resid 47 and name HA
  or resid 53 and name HA
  )
       ( resid 6 and name HE#
  or resid 51 and name HN
  or resid 51 and name HD#
  or resid 55 and name HN
  or resid 62 and name HD21
  or resid 101 and name HE#
  or resid 101 and name HZ
  ) 4.0 0.8 0.8 volume=0.337 peak=192 ppm1=4.052 ppm2=7.333

assign ( resid 24 and name HA
  )
       ( resid 27 and name HN
  or resid 57 and name HD21
  or resid 74 and name HZ3
  or resid 83 and name HN
  or resid 101 and name HD#
  ) 3.8 0.8 0.8 volume=0.412 peak=193 ppm1=4.128 ppm2=7.194

assign ( resid 24 and name HA
  )
       ( resid 24 and name HN
  or resid 40 and name HN
  or resid 42 and name HN
  ) 3.4 0.7 0.7 volume=0.738 peak=194 ppm1=4.123 ppm2=9.000

assign ( resid 89 and name HA
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.3 0.7 0.7 volume=0.867 peak=195 ppm1=4.376 ppm2=8.885

assign ( resid 58 and name HA
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 86 and name HN
  or resid 90 and name HN
  ) 3.3 0.7 0.7 volume=0.799 peak=196 ppm1=4.229 ppm2=8.878

assign ( resid 47 and name HA
  or resid 88 and name HA
  )
       ( resid 47 and name HN
  or resid 86 and name HN
  ) 3.4 0.7 0.7 volume=0.673 peak=197 ppm1=4.074 ppm2=8.810

assign ( resid 89 and name HA
  )
       ( resid 11 and name HN
  or resid 89 and name HN
  ) 3.7 0.7 0.7 volume=0.389 peak=198 ppm1=4.371 ppm2=8.751

assign ( resid 58 and name HA
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  or resid 65 and name HN
  ) 3.7 0.7 0.7 volume=0.425 peak=199 ppm1=4.238 ppm2=8.559

assign ( resid 9 and name HA
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.5 0.7 0.7 volume=0.598 peak=200 ppm1=4.319 ppm2=8.542

assign ( resid 78 and name HA
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.5 0.7 0.7 volume=0.549 peak=201 ppm1=3.843 ppm2=8.208

assign ( resid 75 and name HA
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.7 0.7 0.7 volume=0.415 peak=202 ppm1=4.398 ppm2=8.129

assign ( resid 50 and name HA
  )
       ( resid 4 and name HE1
  or resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 100 and name HE1
  ) 3.5 0.7 0.7 volume=0.617 peak=203 ppm1=4.239 ppm2=7.852

assign ( resid 47 and name HA
  or resid 88 and name HA
  )
       ( resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 85 and name HN
  or resid 88 and name HN
  ) 3.9 0.8 0.8 volume=0.285 peak=204 ppm1=4.077 ppm2=7.815

assign ( resid 47 and name HA
  or resid 88 and name HA
  )
       ( resid 48 and name HD21
  or resid 85 and name HN
  or resid 88 and name HN
  ) 3.5 0.7 0.7 volume=0.560 peak=205 ppm1=4.057 ppm2=7.806

assign ( resid 78 and name HA
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 44 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  or resid 95 and name HD22
  ) 4.0 0.8 0.8 volume=0.256 peak=206 ppm1=3.842 ppm2=7.638

assign ( resid 88 and name HA
  )
       ( resid 11 and name HN
  or resid 36 and name HN
  or resid 89 and name HN
  ) 4.7 0.9 0.9 volume=0.105 peak=207 ppm1=4.044 ppm2=8.745

assign ( resid 86 and name HA
  )
       ( resid 47 and name HN
  or resid 71 and name HN
  or resid 86 and name HN
  ) 3.7 0.7 0.7 volume=0.399 peak=208 ppm1=4.363 ppm2=8.839

assign ( resid 45 and name HA
  )
       ( resid 46 and name HN
  ) 3.3 0.7 0.7 volume=0.815 peak=209 ppm1=5.263 ppm2=9.743

assign ( resid 73 and name HA
  )
       ( resid 24 and name HN
  or resid 40 and name HN
  or resid 74 and name HN
  ) 3.4 0.7 0.7 volume=0.696 peak=210 ppm1=5.101 ppm2=9.026

assign ( resid 23 and name HA
  )
       ( resid 24 and name HN
  or resid 40 and name HN
  or resid 42 and name HN
  ) 3.3 0.7 0.7 volume=0.871 peak=211 ppm1=5.168 ppm2=9.000

assign ( resid 46 and name HA
  )
       ( resid 47 and name HN
  or resid 86 and name HN
  ) 3.7 0.7 0.7 volume=0.443 peak=212 ppm1=4.967 ppm2=8.808

assign ( resid 23 and name HA
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 3.6 0.7 0.7 volume=0.526 peak=213 ppm1=5.167 ppm2=8.468

assign ( resid 46 and name HA
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.6 0.7 0.7 volume=0.486 peak=214 ppm1=4.970 ppm2=8.250

assign ( resid 36 and name HA
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  or resid 37 and name HN
  or resid 77 and name HN
  or resid 101 and name HN
  ) 3.5 0.7 0.7 volume=0.562 peak=215 ppm1=4.946 ppm2=8.024

assign ( resid 45 and name HA
  )
       ( resid 6 and name HN
  or resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.7 0.7 0.7 volume=0.392 peak=216 ppm1=5.268 ppm2=8.154

assign ( resid 42 and name HA
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.4 0.7 0.7 volume=0.740 peak=217 ppm1=3.712 ppm2=8.135

assign ( resid 25 and name HA
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 81 and name HN
  or resid 106 and name HN
  ) 3.3 0.7 0.7 volume=0.911 peak=218 ppm1=4.292 ppm2=8.412

assign ( resid 13 and name HA
  or resid 86 and name HA
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.2 0.6 0.6 volume=1.064 peak=219 ppm1=4.374 ppm2=8.373

assign ( resid 13 and name HA
  or resid 86 and name HA
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.6 0.7 0.7 volume=0.507 peak=220 ppm1=4.374 ppm2=8.549

assign ( resid 25 and name HA
  )
       ( resid 7 and name HN
  or resid 10 and name HN
  or resid 16 and name HN
  or resid 26 and name HN
  or resid 100 and name HN
  or resid 105 and name HN
  ) 3.7 0.7 0.7 volume=0.398 peak=221 ppm1=4.302 ppm2=8.296

assign ( resid 94 and name HA
  )
       ( resid 6 and name HN
  or resid 16 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 4.2 0.8 0.8 volume=0.197 peak=222 ppm1=4.403 ppm2=8.222

assign ( resid 33 and name HA
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  ) 3.6 0.7 0.7 volume=0.497 peak=223 ppm1=4.863 ppm2=7.663

assign ( resid 36 and name HA
  )
       ( resid 27 and name HN
  or resid 36 and name HD#
  ) 3.9 0.8 0.8 volume=0.422 peak=224 ppm1=4.944 ppm2=7.152

assign ( resid 101 and name HA
  )
       ( resid 6 and name HD#
  or resid 51 and name HE#
  or resid 57 and name HD21
  or resid 74 and name HZ3
  or resid 74 and name HD1
  or resid 83 and name HN
  or resid 101 and name HD#
  ) 3.3 0.7 0.7 volume=0.990 peak=225 ppm1=4.561 ppm2=7.236

assign ( resid 42 and name HA
  )
       ( resid 19 and name HA
  or resid 64 and name HA
  or resid 71 and name HA
  ) 3.6 0.7 0.7 volume=0.460 peak=226 ppm1=3.719 ppm2=5.019

assign ( resid 73 and name HA
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 56 and name HA
  or resid 59 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  or resid 106 and name HA
  ) 3.5 0.7 0.7 volume=0.619 peak=227 ppm1=5.097 ppm2=4.320

assign ( resid 2 and name HA
  )
       ( resid 1 and name HB3
  or resid 2 and name HB2
  or resid 31 and name HD3
  or resid 49 and name HA
  or resid 50 and name HB3
  or resid 93 and name HA1
  or resid 94 and name HB3
  ) 2.8 0.6 0.6 volume=2.425 peak=228 ppm1=4.548 ppm2=3.929

assign ( resid 1 and name HA
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 1 and name HB3
  or resid 2 and name HB3
  or resid 2 and name HB2
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 78 and name HA
  or resid 94 and name HB3
  ) 2.6 0.5 0.5 volume=3.898 peak=229 ppm1=4.477 ppm2=3.892

assign ( resid 94 and name HA
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 1 and name HB3
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 78 and name HA
  or resid 94 and name HB3
  or resid 94 and name HB2
  ) 2.7 0.5 0.5 volume=2.552 peak=230 ppm1=4.423 ppm2=3.879

assign ( resid 101 and name HA
  )
       ( resid 3 and name HD3
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 2.8 0.6 0.6 volume=2.164 peak=231 ppm1=4.560 ppm2=3.134

assign ( resid 101 and name HA
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 2.7 0.5 0.5 volume=2.612 peak=232 ppm1=4.559 ppm2=3.023

assign ( resid 46 and name HA
  )
       ( resid 12 and name HA
  or resid 15 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 3.4 0.7 0.7 volume=0.699 peak=233 ppm1=4.956 ppm2=3.716

assign ( resid 23 and name HA
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  ) 3.3 0.7 0.7 volume=0.857 peak=234 ppm1=5.171 ppm2=3.473

assign ( resid 73 and name HA
  )
       ( resid 73 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 3.7 0.7 0.7 volume=0.439 peak=235 ppm1=5.095 ppm2=3.396

assign ( resid 36 and name HA
  )
       ( resid 26 and name HB2
  or resid 33 and name HB2
  or resid 36 and name HB3
  or resid 41 and name HD2
  or resid 41 and name HD3
  or resid 74 and name HB3
  ) 3.4 0.7 0.7 volume=0.640 peak=236 ppm1=4.940 ppm2=3.305

assign ( resid 33 and name HA
  )
       ( resid 26 and name HB2
  or resid 33 and name HB2
  or resid 36 and name HB3
  or resid 41 and name HD2
  or resid 41 and name HD3
  or resid 82 and name HA
  ) 3.2 0.6 0.6 volume=1.046 peak=237 ppm1=4.878 ppm2=3.280

assign ( resid 46 and name HA
  )
       ( resid 6 and name HB2
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 82 and name HA
  ) 3.7 0.7 0.7 volume=0.439 peak=238 ppm1=4.964 ppm2=3.220

assign ( resid 45 and name HA
  )
       ( resid 12 and name HA
  or resid 15 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 3.8 0.8 0.8 volume=0.374 peak=239 ppm1=5.272 ppm2=3.713

assign ( resid 45 and name HA
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 92 and name HA
  or resid 106 and name HA
  ) 3.9 0.8 0.8 volume=0.302 peak=240 ppm1=5.267 ppm2=4.377

assign ( resid 73 and name HA
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 3.8 0.8 0.8 volume=0.373 peak=241 ppm1=5.096 ppm2=3.148

assign ( resid 23 and name HA
  )
       ( resid 29 and name HE3
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 64 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB2
  or resid 95 and name HB3
  ) 3.9 0.8 0.8 volume=0.326 peak=242 ppm1=5.155 ppm2=2.788

assign ( resid 36 and name HA
  )
       ( resid 11 and name HB3
  or resid 29 and name HE3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB3
  ) 3.8 0.8 0.8 volume=0.377 peak=243 ppm1=4.934 ppm2=2.762

assign ( resid 45 and name HA
  )
       ( resid 11 and name HB3
  or resid 29 and name HE3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 91 and name HB3
  or resid 95 and name HB3
  ) 4.0 0.8 0.8 volume=0.271 peak=244 ppm1=5.256 ppm2=2.750

assign ( resid 23 and name HA
  )
       ( resid 7 and name HB3
  or resid 7 and name HB2
  or resid 23 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 71 and name HB3
  or resid 72 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 3.6 0.7 0.7 volume=0.534 peak=245 ppm1=5.170 ppm2=2.635

assign ( resid 72 and name HA
  )
       ( resid 7 and name HB3
  or resid 7 and name HB2
  or resid 23 and name HB2
  or resid 40 and name HE2
  or resid 58 and name HB2
  or resid 71 and name HB3
  or resid 72 and name HB2
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 98 and name HB2
  ) 3.9 0.8 0.8 volume=0.293 peak=246 ppm1=5.368 ppm2=2.625

assign ( resid 33 and name HA
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 27 and name HB3
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 57 and name HB3
  or resid 69 and name HB2
  ) 3.3 0.7 0.7 volume=0.855 peak=247 ppm1=4.871 ppm2=2.475

assign ( resid 46 and name HA
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 3.6 0.7 0.7 volume=0.487 peak=248 ppm1=4.954 ppm2=2.439

assign ( resid 45 and name HA
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 3.5 0.7 0.7 volume=0.595 peak=249 ppm1=5.262 ppm2=2.425

assign ( resid 86 and name HA
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB3
  ) 4.0 0.8 0.8 volume=0.282 peak=250 ppm1=4.386 ppm2=2.738

assign ( resid 58 and name HA
  )
       ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 71 and name HB3
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 4.0 0.8 0.8 volume=0.272 peak=251 ppm1=4.231 ppm2=2.660

assign ( resid 25 and name HA
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 60 and name HB
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 3.2 0.6 0.6 volume=1.128 peak=252 ppm1=4.295 ppm2=2.098

assign ( resid 25 and name HA
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.1 0.6 0.6 volume=1.293 peak=253 ppm1=4.298 ppm2=2.000

assign ( resid 53 and name HA
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 104 and name HB2
  or resid 106 and name HB2
  ) 2.7 0.5 0.5 volume=2.944 peak=254 ppm1=4.040 ppm2=1.859

assign ( resid 13 and name HA
  or resid 86 and name HA
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 104 and name HB2
  or resid 106 and name HB2
  ) 3.1 0.6 0.6 volume=1.262 peak=255 ppm1=4.383 ppm2=1.860

assign ( resid 53 and name HA
  )
       ( resid 3 and name HB3
  or resid 8 and name HB2
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 103 and name HB3
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  or resid 106 and name HB3
  ) 3.3 0.7 0.7 volume=0.798 peak=256 ppm1=4.038 ppm2=1.726

assign ( resid 25 and name HA
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 79 and name HG
  or resid 83 and name HB3
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 3.3 0.7 0.7 volume=0.886 peak=257 ppm1=4.299 ppm2=1.709

assign ( resid 94 and name HA
  )
       ( resid 3 and name HG2
  or resid 8 and name HG
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG12
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  or resid 97 and name HB2
  or resid 99 and name HB3
  ) 3.8 0.8 0.8 volume=0.357 peak=258 ppm1=4.417 ppm2=1.623

assign ( resid 25 and name HA
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.6 0.7 0.7 volume=0.506 peak=259 ppm1=4.292 ppm2=1.600

assign ( resid 13 and name HA
  or resid 86 and name HA
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.5 0.7 0.7 volume=0.620 peak=260 ppm1=4.379 ppm2=1.565

assign ( resid 42 and name HA
  )
       ( resid 13 and name HG3
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.5 0.7 0.7 volume=0.634 peak=261 ppm1=3.730 ppm2=1.532

assign ( resid 53 and name HA
  )
       ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.1 0.6 0.6 volume=1.285 peak=262 ppm1=4.044 ppm2=1.508

assign ( resid 25 and name HA
  )
       ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.5 0.7 0.7 volume=0.629 peak=263 ppm1=4.289 ppm2=1.502

assign ( resid 47 and name HA
  or resid 88 and name HA
  )
       ( resid 22 and name HD1#
  or resid 29 and name HD3
  or resid 40 and name HB3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 4.0 0.8 0.8 volume=0.278 peak=264 ppm1=4.044 ppm2=1.402

assign ( resid 50 and name HA
  )
       ( resid 12 and name HG
  or resid 22 and name HD1#
  or resid 40 and name HB3
  or resid 55 and name HB#
  or resid 59 and name HG12
  ) 3.4 0.7 0.7 volume=0.950 peak=265 ppm1=4.237 ppm2=1.348

assign ( resid 58 and name HA
  )
       ( resid 12 and name HG
  or resid 22 and name HD1#
  or resid 40 and name HB3
  or resid 55 and name HB#
  or resid 59 and name HG12
  ) 4.2 0.8 0.8 volume=0.274 peak=266 ppm1=4.240 ppm2=1.334

assign ( resid 42 and name HA
  )
       ( resid 19 and name HG2#
  or resid 40 and name HG3
  or resid 42 and name HG2
  ) 4.1 0.8 0.8 volume=0.304 peak=267 ppm1=3.729 ppm2=1.169

assign ( resid 94 and name HA
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.4 0.9 0.9 volume=0.459 peak=268 ppm1=4.418 ppm2=0.906

assign ( resid 40 and name HA
  )
       ( resid 22 and name HD1#
  or resid 29 and name HD3
  or resid 40 and name HB3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  ) 3.6 0.7 0.7 volume=0.516 peak=269 ppm1=4.806 ppm2=1.382

assign ( resid 40 and name HA
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 40 and name HG3
  or resid 59 and name HG13
  or resid 83 and name HG2
  ) 3.9 0.8 0.8 volume=0.377 peak=270 ppm1=4.815 ppm2=1.240

assign ( resid 40 and name HA
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  ) 3.6 0.7 0.7 volume=0.629 peak=271 ppm1=4.812 ppm2=1.105

assign ( resid 33 and name HA
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 63 and name HD1#
  or resid 65 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 107 and name HG2#
  ) 4.5 0.9 0.9 volume=0.309 peak=272 ppm1=4.882 ppm2=0.955

assign ( resid 23 and name HA
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.8 0.8 0.8 volume=1.001 peak=273 ppm1=5.163 ppm2=0.919

assign ( resid 45 and name HA
  )
       ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  ) 3.7 0.7 0.7 volume=0.894 peak=274 ppm1=5.272 ppm2=0.801

assign ( resid 45 and name HA
  )
       ( resid 12 and name HD1#
  or resid 45 and name HG1#
  ) 4.6 0.9 0.9 volume=0.356 peak=275 ppm1=5.267 ppm2=0.643

assign ( resid 42 and name HA
  )
       ( resid 43 and name HG2#
  ) 4.7 0.9 0.9 volume=0.299 peak=276 ppm1=3.711 ppm2=-0.109

assign ( resid 71 and name HA
  )
       ( resid 43 and name HG2#
  ) 4.3 0.9 0.9 volume=0.523 peak=277 ppm1=5.009 ppm2=-0.109

assign ( resid 34 and name HA
  or resid 63 and name HA
  )
       ( resid 22 and name HD2#
  or resid 29 and name HG2
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 4.0 0.8 0.8 volume=0.434 peak=278 ppm1=4.500 ppm2=1.013

assign ( resid 3 and name HA
  or resid 27 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.1 0.8 0.8 volume=0.728 peak=279 ppm1=4.274 ppm2=0.907

assign ( resid 3 and name HA
  or resid 5 and name HA
  or resid 99 and name HA
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.4 0.9 0.9 volume=0.459 peak=280 ppm1=4.222 ppm2=0.915

assign ( resid 63 and name HA
  or resid 84 and name HA
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.3 0.7 0.7 volume=2.615 peak=281 ppm1=4.466 ppm2=0.900

assign ( resid 48 and name HA
  or resid 84 and name HA
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  or resid 59 and name HD1#
  ) 4.5 0.9 0.9 volume=0.397 peak=282 ppm1=4.473 ppm2=0.632

assign ( resid 12 and name HA
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  or resid 59 and name HD1#
  ) 3.9 0.8 0.8 volume=0.930 peak=283 ppm1=3.751 ppm2=0.632

assign ( resid 54 and name HA
  or resid 106 and name HA
  )
       ( resid 17 and name HB
  or resid 54 and name HB2
  or resid 75 and name HB3
  or resid 75 and name HB2
  or resid 87 and name HB2
  or resid 102 and name HG2
  ) 3.2 0.6 0.6 volume=1.006 peak=284 ppm1=4.329 ppm2=2.250

assign ( resid 3 and name HA
  or resid 27 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  )
       ( resid 37 and name HB
  or resid 54 and name HB2
  or resid 67 and name HB
  or resid 87 and name HB2
  or resid 102 and name HG2
  or resid 102 and name HG3
  ) 3.0 0.6 0.6 volume=1.465 peak=285 ppm1=4.227 ppm2=2.212

assign ( resid 81 and name HA
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.5 0.7 0.7 volume=0.649 peak=286 ppm1=4.186 ppm2=2.154

assign ( resid 3 and name HA
  or resid 27 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 31 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 60 and name HB
  or resid 78 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  or resid 107 and name HB
  ) 4.0 0.8 0.8 volume=0.285 peak=287 ppm1=4.272 ppm2=2.113

assign ( resid 54 and name HA
  or resid 106 and name HA
  )
       ( resid 12 and name HB2
  or resid 18 and name HB2
  or resid 25 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 3.3 0.7 0.7 volume=0.878 peak=288 ppm1=4.343 ppm2=2.060

assign ( resid 3 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.0 0.6 0.6 volume=1.511 peak=289 ppm1=4.225 ppm2=1.998

assign ( resid 106 and name HA
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 104 and name HB2
  or resid 106 and name HB2
  ) 3.3 0.7 0.7 volume=0.786 peak=290 ppm1=4.357 ppm2=1.859

assign ( resid 81 and name HA
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 3.5 0.7 0.7 volume=0.588 peak=291 ppm1=4.185 ppm2=1.780

assign ( resid 27 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 2.4 0.5 0.5 volume=5.144 peak=292 ppm1=4.282 ppm2=1.771

assign ( resid 3 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  )
       ( resid 3 and name HB3
  or resid 8 and name HB2
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 2.7 0.5 0.5 volume=2.656 peak=293 ppm1=4.226 ppm2=1.736

assign ( resid 27 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 2.8 0.6 0.6 volume=2.070 peak=294 ppm1=4.283 ppm2=1.589

assign ( resid 81 and name HA
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 60 and name HG12
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.1 0.6 0.6 volume=1.300 peak=295 ppm1=4.181 ppm2=1.519

assign ( resid 3 and name HA
  or resid 5 and name HA
  or resid 99 and name HA
  )
       ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 2.8 0.6 0.6 volume=2.431 peak=296 ppm1=4.226 ppm2=1.502

assign ( resid 54 and name HA
  or resid 106 and name HA
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.8 0.8 0.8 volume=0.361 peak=297 ppm1=4.354 ppm2=1.463

assign ( resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 29 and name HD3
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 2.9 0.6 0.6 volume=1.762 peak=298 ppm1=4.294 ppm2=1.449

assign ( resid 4 and name HA
  or resid 100 and name HA
  )
       ( resid 3 and name HB3
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.7 0.7 0.7 volume=0.396 peak=299 ppm1=4.558 ppm2=1.737

assign ( resid 34 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 31 and name HG2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.1 0.6 0.6 volume=1.159 peak=300 ppm1=4.468 ppm2=1.746

assign ( resid 34 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  )
       ( resid 3 and name HB3
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.1 0.6 0.6 volume=1.199 peak=301 ppm1=4.488 ppm2=1.740

assign ( resid 34 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  )
       ( resid 3 and name HG2
  or resid 8 and name HG
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG12
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  or resid 97 and name HB2
  ) 3.2 0.6 0.6 volume=1.096 peak=302 ppm1=4.472 ppm2=1.619

assign ( resid 100 and name HA
  )
       ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.8 0.8 0.8 volume=0.348 peak=303 ppm1=4.540 ppm2=1.503

assign ( resid 34 and name HA
  or resid 63 and name HA
  )
       ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 4.0 0.8 0.8 volume=0.275 peak=304 ppm1=4.471 ppm2=1.507

assign ( resid 56 and name HA
  or resid 83 and name HA
  )
       ( resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 40 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 2.9 0.6 0.6 volume=1.716 peak=305 ppm1=4.280 ppm2=2.009

assign ( resid 27 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  or resid 103 and name HB2
  or resid 104 and name HB2
  or resid 106 and name HB2
  ) 3.5 0.7 0.7 volume=0.558 peak=306 ppm1=4.276 ppm2=1.866

assign ( resid 3 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  )
       ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 3.8 0.8 0.8 volume=0.371 peak=307 ppm1=4.217 ppm2=1.918

assign ( resid 76 and name HA
  )
       ( resid 25 and name HN
  or resid 38 and name HN
  or resid 63 and name HN
  or resid 81 and name HN
  ) 3.9 0.8 0.8 volume=0.298 peak=308 ppm1=3.870 ppm2=8.440

assign ( resid 76 and name HA
  )
       ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 91 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 3.5 0.7 0.7 volume=0.625 peak=309 ppm1=3.875 ppm2=2.674

assign ( resid 31 and name HA
  )
       ( resid 29 and name HD3
  or resid 40 and name HB3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 4.2 0.8 0.8 volume=0.191 peak=310 ppm1=4.288 ppm2=1.406

assign ( resid 31 and name HA
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 4.1 0.8 0.8 volume=0.238 peak=311 ppm1=4.295 ppm2=8.885

assign ( resid 50 and name HB3
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 3.9 0.8 0.8 volume=0.316 peak=312 ppm1=3.892 ppm2=1.996

assign ( resid 77 and name HA
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 4.0 0.8 0.8 volume=0.253 peak=313 ppm1=4.253 ppm2=1.581

assign ( resid 74 and name HA
  )
       ( resid 12 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 40 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.9 0.8 0.8 volume=0.309 peak=314 ppm1=3.806 ppm2=2.030

assign ( resid 74 and name HA
  )
       ( resid 7 and name HB3
  or resid 7 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 71 and name HB3
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 4.1 0.8 0.8 volume=0.221 peak=315 ppm1=3.816 ppm2=2.655

assign ( resid 26 and name HA
  )
       ( resid 21 and name HD2#
  or resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  or resid 90 and name HD1#
  ) 4.8 1.0 1.0 volume=0.186 peak=316 ppm1=4.056 ppm2=0.768

assign ( resid 24 and name HA
  )
       ( resid 23 and name HA
  or resid 44 and name HA
  or resid 68 and name HA
  ) 4.2 0.8 0.8 volume=0.191 peak=317 ppm1=4.120 ppm2=5.182

assign ( resid 46 and name HA
  )
       ( resid 12 and name HB2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 4.1 0.8 0.8 volume=0.228 peak=318 ppm1=4.957 ppm2=2.078

assign ( resid 46 and name HA
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 104 and name HB2
  or resid 106 and name HB2
  ) 4.0 0.8 0.8 volume=0.258 peak=319 ppm1=4.954 ppm2=1.850

assign ( resid 42 and name HA
  )
       ( resid 21 and name HD2#
  or resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  or resid 90 and name HD1#
  ) 4.7 0.9 0.9 volume=0.203 peak=320 ppm1=3.709 ppm2=0.774

assign ( resid 72 and name HA
  )
       ( resid 12 and name HN
  or resid 73 and name HN
  ) 3.4 0.7 0.7 volume=0.691 peak=321 ppm1=5.365 ppm2=9.564

assign ( resid 72 and name HA
  )
       ( resid 22 and name HN
  or resid 72 and name HN
  ) 4.2 0.8 0.8 volume=0.197 peak=322 ppm1=5.388 ppm2=9.330

assign ( resid 72 and name HA
  )
       ( resid 68 and name HD22
  or resid 72 and name HD#
  or resid 91 and name HD22
  or resid 100 and name HD2
  ) 4.1 0.8 0.8 volume=0.268 peak=323 ppm1=5.393 ppm2=6.985

assign ( resid 72 and name HA
  )
       ( resid 41 and name HA
  or resid 64 and name HA
  or resid 73 and name HA
  or resid 87 and name HA
  ) 4.1 0.8 0.8 volume=0.230 peak=324 ppm1=5.383 ppm2=5.080

assign ( resid 86 and name HA
  )
       ( resid 19 and name HB
  or resid 24 and name HA
  or resid 52 and name HA2
  or resid 81 and name HA
  or resid 87 and name HD2
  ) 3.8 0.8 0.8 volume=0.356 peak=325 ppm1=4.356 ppm2=4.163

assign ( resid 13 and name HA
  or resid 86 and name HA
  )
       ( resid 12 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 3.5 0.7 0.7 volume=0.549 peak=326 ppm1=4.361 ppm2=3.751

assign ( resid 13 and name HA
  or resid 86 and name HA
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 44 and name HD2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  ) 4.0 0.8 0.8 volume=0.248 peak=327 ppm1=4.375 ppm2=3.172

assign ( resid 13 and name HA
  or resid 86 and name HA
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 57 and name HB3
  or resid 69 and name HB2
  ) 4.0 0.8 0.8 volume=0.261 peak=328 ppm1=4.378 ppm2=2.467

assign ( resid 86 and name HA
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  ) 4.1 0.8 0.8 volume=0.239 peak=329 ppm1=4.349 ppm2=2.452

assign ( resid 13 and name HA
  or resid 86 and name HA
  )
       ( resid 13 and name HB2
  or resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  ) 3.8 0.8 0.8 volume=0.354 peak=330 ppm1=4.377 ppm2=2.343

assign ( resid 13 and name HA
  or resid 86 and name HA
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.8 0.8 0.8 volume=0.396 peak=331 ppm1=4.372 ppm2=2.136

assign ( resid 86 and name HA
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 12 and name HB2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 4.2 0.8 0.8 volume=0.193 peak=332 ppm1=4.392 ppm2=2.085

assign ( resid 13 and name HA
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.7 0.7 0.7 volume=0.392 peak=333 ppm1=4.399 ppm2=1.978

assign ( resid 81 and name HA
  )
       ( resid 25 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 63 and name HN
  or resid 67 and name HN
  or resid 81 and name HN
  ) 3.5 0.7 0.7 volume=0.595 peak=334 ppm1=4.191 ppm2=8.441

assign ( resid 48 and name HA
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 4.1 0.8 0.8 volume=0.236 peak=335 ppm1=4.467 ppm2=8.399

assign ( resid 71 and name HA
  )
       ( resid 22 and name HN
  or resid 72 and name HN
  ) 3.5 0.7 0.7 volume=0.574 peak=336 ppm1=5.016 ppm2=9.333

assign ( resid 48 and name HA
  )
       ( resid 49 and name HN
  ) 3.9 0.8 0.8 volume=0.313 peak=337 ppm1=4.477 ppm2=9.169

assign ( resid 81 and name HA
  )
       ( resid 82 and name HN
  ) 3.8 0.8 0.8 volume=0.354 peak=338 ppm1=4.190 ppm2=9.257

assign ( resid 71 and name HA
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 4.1 0.8 0.8 volume=0.225 peak=339 ppm1=5.004 ppm2=8.126

assign ( resid 3 and name HA
  or resid 27 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  )
       ( resid 8 and name HN
  or resid 28 and name HN
  or resid 52 and name HN
  or resid 64 and name HD21
  ) 3.2 0.6 0.6 volume=0.982 peak=340 ppm1=4.261 ppm2=7.915

assign ( resid 106 and name HA
  )
       ( resid 18 and name HE21
  or resid 68 and name HD21
  or resid 80 and name HN
  or resid 107 and name HN
  ) 2.8 0.6 0.6 volume=2.079 peak=341 ppm1=4.354 ppm2=7.739

assign ( resid 4 and name HA
  or resid 100 and name HA
  )
       ( resid 14 and name HE22
  or resid 71 and name HD#
  or resid 72 and name HD#
  or resid 91 and name HD22
  or resid 100 and name HD2
  ) 4.1 0.8 0.8 volume=0.304 peak=342 ppm1=4.551 ppm2=6.961

assign ( resid 34 and name HA
  or resid 63 and name HA
  )
       ( resid 4 and name HD2
  or resid 14 and name HE22
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 72 and name HD#
  or resid 72 and name HE#
  or resid 91 and name HD22
  or resid 95 and name HD21
  or resid 100 and name HD2
  ) 4.2 0.8 0.8 volume=0.252 peak=343 ppm1=4.502 ppm2=6.940

assign ( resid 63 and name HA
  or resid 84 and name HA
  )
       ( resid 4 and name HD2
  or resid 14 and name HE22
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 72 and name HE#
  or resid 95 and name HD21
  ) 3.8 0.8 0.8 volume=0.435 peak=344 ppm1=4.460 ppm2=6.923

assign ( resid 54 and name HA
  or resid 106 and name HA
  )
       ( resid 6 and name HE#
  or resid 51 and name HN
  or resid 51 and name HD#
  or resid 55 and name HN
  or resid 62 and name HD21
  or resid 71 and name HE#
  or resid 74 and name HH2
  or resid 101 and name HZ
  ) 3.9 0.8 0.8 volume=0.366 peak=345 ppm1=4.333 ppm2=7.318

assign ( resid 3 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  )
       ( resid 6 and name HD#
  or resid 51 and name HE#
  or resid 71 and name HE#
  or resid 74 and name HZ3
  or resid 74 and name HD1
  or resid 74 and name HH2
  or resid 101 and name HD#
  ) 4.2 0.8 0.8 volume=0.288 peak=346 ppm1=4.226 ppm2=7.259

assign ( resid 63 and name HA
  or resid 84 and name HA
  )
       ( resid 27 and name HN
  or resid 51 and name HE#
  or resid 57 and name HD21
  or resid 74 and name HZ3
  or resid 83 and name HN
  or resid 101 and name HD#
  ) 3.9 0.8 0.8 volume=0.344 peak=347 ppm1=4.462 ppm2=7.201

assign ( resid 106 and name HA
  )
       ( resid 27 and name HN
  or resid 51 and name HE#
  or resid 57 and name HD21
  or resid 74 and name HZ3
  or resid 83 and name HN
  or resid 101 and name HD#
  ) 4.0 0.8 0.8 volume=0.298 peak=348 ppm1=4.345 ppm2=7.197

assign ( resid 3 and name HA
  or resid 27 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  )
       ( resid 27 and name HN
  or resid 36 and name HD#
  or resid 57 and name HD21
  or resid 83 and name HN
  ) 3.6 0.7 0.7 volume=0.585 peak=349 ppm1=4.267 ppm2=7.184

assign ( resid 34 and name HA
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  ) 3.8 0.8 0.8 volume=0.367 peak=350 ppm1=4.506 ppm2=7.644

assign ( resid 54 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  ) 3.9 0.8 0.8 volume=0.319 peak=351 ppm1=4.321 ppm2=7.645

assign ( resid 63 and name HA
  or resid 84 and name HA
  )
       ( resid 29 and name HN
  or resid 44 and name HN
  or resid 74 and name HZ2
  or resid 84 and name HN
  or resid 88 and name HE
  or resid 91 and name HD21
  or resid 95 and name HD22
  ) 3.5 0.7 0.7 volume=0.595 peak=352 ppm1=4.464 ppm2=7.577

assign ( resid 34 and name HA
  or resid 63 and name HA
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 3.1 0.6 0.6 volume=1.189 peak=353 ppm1=4.501 ppm2=8.483

assign ( resid 69 and name HA
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 54 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.9 0.8 0.8 volume=0.302 peak=354 ppm1=4.530 ppm2=8.489

assign ( resid 3 and name HA
  or resid 27 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.8 0.8 0.8 volume=0.347 peak=355 ppm1=4.256 ppm2=8.250

assign ( resid 27 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.8 0.8 0.8 volume=0.357 peak=356 ppm1=4.281 ppm2=8.232

assign ( resid 69 and name HA
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.2 0.6 0.6 volume=0.928 peak=357 ppm1=4.539 ppm2=8.230

assign ( resid 69 and name HA
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.2 0.6 0.6 volume=0.967 peak=358 ppm1=4.521 ppm2=8.230

assign ( resid 18 and name HA
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 2.9 0.6 0.6 volume=1.856 peak=359 ppm1=4.378 ppm2=8.112

assign ( resid 18 and name HA
  )
       ( resid 18 and name HN
  or resid 32 and name HN
  or resid 65 and name HN
  ) 3.7 0.7 0.7 volume=0.424 peak=360 ppm1=4.373 ppm2=8.613

assign ( resid 38 and name HA
  )
       ( resid 25 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 63 and name HN
  or resid 67 and name HN
  or resid 81 and name HN
  ) 3.3 0.7 0.7 volume=0.828 peak=361 ppm1=4.283 ppm2=8.444

assign ( resid 12 and name HA
  )
       ( resid 12 and name HN
  ) 3.5 0.7 0.7 volume=0.614 peak=362 ppm1=3.764 ppm2=9.514

assign ( resid 48 and name HA
  )
       ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 3.3 0.7 0.7 volume=0.864 peak=363 ppm1=4.497 ppm2=2.880

assign ( resid 81 and name HA
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 20 and name HA1
  or resid 27 and name HB2
  or resid 42 and name HE2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.9 0.8 0.8 volume=0.319 peak=364 ppm1=4.187 ppm2=2.970

assign ( resid 81 and name HA
  )
       ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 63 and name HD1#
  or resid 65 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 107 and name HG2#
  ) 4.7 0.9 0.9 volume=0.249 peak=365 ppm1=4.185 ppm2=0.954

assign ( resid 71 and name HA
  )
       ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.7 0.7 0.7 volume=0.404 peak=366 ppm1=5.017 ppm2=1.504

assign ( resid 34 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  )
       ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 91 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 2.9 0.6 0.6 volume=1.790 peak=367 ppm1=4.469 ppm2=2.684

assign ( resid 71 and name HA
  )
       ( resid 12 and name HA
  or resid 15 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 3.6 0.7 0.7 volume=0.472 peak=368 ppm1=5.008 ppm2=3.739

assign ( resid 71 and name HA
  )
       ( resid 7 and name HB3
  or resid 7 and name HB2
  or resid 23 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 71 and name HB3
  or resid 72 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 3.7 0.7 0.7 volume=0.407 peak=369 ppm1=5.004 ppm2=2.639

assign ( resid 71 and name HA
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  ) 4.0 0.8 0.8 volume=0.248 peak=370 ppm1=5.014 ppm2=2.855

assign ( resid 27 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 44 and name HD2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 2.9 0.6 0.6 volume=1.740 peak=371 ppm1=4.278 ppm2=3.169

assign ( resid 3 and name HA
  or resid 5 and name HA
  or resid 27 and name HA
  or resid 99 and name HA
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 3.2 0.6 0.6 volume=1.015 peak=372 ppm1=4.228 ppm2=3.150

assign ( resid 54 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.6 0.7 0.7 volume=0.497 peak=373 ppm1=4.307 ppm2=3.018

assign ( resid 3 and name HA
  or resid 102 and name HA
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.5 0.7 0.7 volume=0.634 peak=374 ppm1=4.216 ppm2=3.018

assign ( resid 27 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.3 0.7 0.7 volume=0.778 peak=375 ppm1=4.277 ppm2=3.005

assign ( resid 27 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 20 and name HA1
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  ) 3.5 0.7 0.7 volume=0.538 peak=376 ppm1=4.257 ppm2=2.954

assign ( resid 3 and name HA
  or resid 27 and name HA
  or resid 99 and name HA
  )
       ( resid 10 and name HG3
  or resid 27 and name HB3
  or resid 34 and name HB3
  or resid 57 and name HB3
  ) 3.8 0.8 0.8 volume=0.371 peak=377 ppm1=4.251 ppm2=2.529

assign ( resid 27 and name HA
  or resid 96 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  )
       ( resid 27 and name HB3
  or resid 33 and name HB3
  or resid 34 and name HB3
  or resid 57 and name HB3
  ) 3.7 0.7 0.7 volume=0.425 peak=378 ppm1=4.277 ppm2=2.506

assign ( resid 54 and name HA
  or resid 106 and name HA
  )
       ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 3.1 0.6 0.6 volume=1.212 peak=379 ppm1=4.327 ppm2=2.387

assign ( resid 34 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  )
       ( resid 10 and name HG3
  or resid 34 and name HB3
  or resid 40 and name HE2
  ) 3.4 0.7 0.7 volume=0.713 peak=380 ppm1=4.483 ppm2=2.556

assign ( resid 34 and name HA
  or resid 63 and name HA
  )
       ( resid 10 and name HG3
  or resid 27 and name HB3
  or resid 34 and name HB3
  ) 3.5 0.7 0.7 volume=0.554 peak=381 ppm1=4.504 ppm2=2.543

assign ( resid 100 and name HA
  )
       ( resid 4 and name HB3
  or resid 6 and name HB3
  or resid 13 and name HE3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 2.4 0.5 0.5 volume=5.115 peak=382 ppm1=4.543 ppm2=3.026

assign ( resid 48 and name HA
  or resid 84 and name HA
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 2.9 0.6 0.6 volume=1.982 peak=383 ppm1=4.474 ppm2=3.019

assign ( resid 69 and name HA
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  or resid 59 and name HD1#
  ) 4.0 0.8 0.8 volume=0.807 peak=384 ppm1=4.532 ppm2=0.607

assign ( resid 29 and name HA
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 4.0 0.8 0.8 volume=0.535 peak=385 ppm1=4.084 ppm2=1.037

assign ( resid 29 and name HA
  )
       ( resid 3 and name HG2
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.7 0.7 0.7 volume=0.426 peak=386 ppm1=4.081 ppm2=1.602

assign ( resid 69 and name HA
  )
       ( resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  or resid 102 and name HG3
  ) 3.7 0.7 0.7 volume=0.447 peak=387 ppm1=4.526 ppm2=2.171

assign ( resid 38 and name HA
  )
       ( resid 39 and name HD2
  or resid 39 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 3.0 0.6 0.6 volume=1.604 peak=388 ppm1=4.286 ppm2=3.652

assign ( resid 29 and name HA
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  or resid 37 and name HN
  or resid 101 and name HN
  ) 3.2 0.6 0.6 volume=0.996 peak=389 ppm1=4.074 ppm2=8.015

assign ( resid 29 and name HA
  )
       ( resid 29 and name HN
  or resid 74 and name HZ2
  or resid 84 and name HN
  or resid 91 and name HD21
  ) 3.7 0.7 0.7 volume=0.428 peak=390 ppm1=4.078 ppm2=7.550

assign ( resid 30 and name HA
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  or resid 37 and name HN
  or resid 77 and name HN
  or resid 101 and name HN
  ) 3.9 0.8 0.8 volume=0.321 peak=391 ppm1=5.214 ppm2=8.018

assign ( resid 29 and name HA
  )
       ( resid 10 and name HA
  or resid 36 and name HA
  or resid 46 and name HA
  ) 3.8 0.8 0.8 volume=0.375 peak=392 ppm1=4.084 ppm2=4.947

assign ( resid 30 and name HA
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 24 and name HA
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 52 and name HA2
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 87 and name HD2
  or resid 88 and name HA
  ) 3.4 0.7 0.7 volume=0.644 peak=393 ppm1=5.216 ppm2=4.088

assign ( resid 30 and name HA
  )
       ( resid 1 and name HB3
  or resid 2 and name HB2
  or resid 31 and name HD3
  or resid 49 and name HA
  or resid 93 and name HA2
  or resid 93 and name HA1
  or resid 94 and name HB3
  ) 3.5 0.7 0.7 volume=0.624 peak=394 ppm1=5.213 ppm2=3.938

assign ( resid 92 and name HA
  or resid 97 and name HA
  )
       ( resid 3 and name HG2
  or resid 8 and name HG
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  or resid 97 and name HB2
  ) 2.4 0.5 0.5 volume=5.230 peak=395 ppm1=4.319 ppm2=1.611

assign ( resid 92 and name HA
  or resid 97 and name HA
  )
       ( resid 8 and name HD2#
  or resid 9 and name HG2#
  or resid 9 and name HD1#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  or resid 107 and name HG1#
  ) 2.9 0.6 0.6 volume=5.373 peak=396 ppm1=4.325 ppm2=0.860

assign ( resid 30 and name HA
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 44 and name HD2
  or resid 66 and name HA1
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 4.0 0.8 0.8 volume=0.275 peak=397 ppm1=5.219 ppm2=3.166

assign ( resid 30 and name HA
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  ) 4.2 0.8 0.8 volume=0.189 peak=398 ppm1=5.231 ppm2=3.491

assign ( resid 30 and name HA
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 4.0 0.8 0.8 volume=0.269 peak=399 ppm1=5.233 ppm2=1.588

assign ( resid 29 and name HA
  )
       ( resid 29 and name HG3
  ) 3.8 0.8 0.8 volume=0.363 peak=400 ppm1=4.059 ppm2=0.405

assign ( resid 56 and name HA
  or resid 83 and name HA
  or resid 97 and name HA
  )
       ( resid 4 and name HE1
  or resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 88 and name HN
  or resid 100 and name HE1
  ) 3.9 0.8 0.8 volume=0.302 peak=401 ppm1=4.301 ppm2=7.832

assign ( resid 56 and name HA
  or resid 97 and name HA
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 44 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  ) 3.5 0.7 0.7 volume=0.538 peak=402 ppm1=4.281 ppm2=7.642

assign ( resid 92 and name HA
  or resid 97 and name HA
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.5 0.7 0.7 volume=0.583 peak=403 ppm1=4.320 ppm2=8.229

assign ( resid 41 and name HA
  )
       ( resid 42 and name HN
  ) 3.4 0.7 0.7 volume=0.661 peak=404 ppm1=5.072 ppm2=8.952

assign ( resid 10 and name HA
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 86 and name HN
  or resid 90 and name HN
  ) 3.8 0.8 0.8 volume=0.341 peak=405 ppm1=4.938 ppm2=8.875

assign ( resid 10 and name HA
  )
       ( resid 11 and name HN
  or resid 89 and name HN
  ) 3.6 0.7 0.7 volume=0.529 peak=406 ppm1=4.937 ppm2=8.765

assign ( resid 8 and name HA
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 21 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.7 0.7 0.7 volume=0.415 peak=407 ppm1=4.576 ppm2=8.538

assign ( resid 7 and name HA
  )
       ( resid 8 and name HN
  or resid 28 and name HN
  or resid 52 and name HN
  or resid 64 and name HD21
  ) 2.8 0.6 0.6 volume=2.213 peak=408 ppm1=4.605 ppm2=7.932

assign ( resid 41 and name HA
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 44 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  ) 3.8 0.8 0.8 volume=0.333 peak=409 ppm1=5.091 ppm2=7.643

assign ( resid 55 and name HA
  )
       ( resid 6 and name HE#
  or resid 51 and name HN
  or resid 51 and name HD#
  or resid 55 and name HN
  or resid 62 and name HD21
  or resid 74 and name HH2
  or resid 101 and name HZ
  ) 3.5 0.7 0.7 volume=0.676 peak=410 ppm1=4.063 ppm2=7.320

assign ( resid 55 and name HA
  )
       ( resid 4 and name HE1
  or resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 88 and name HN
  or resid 100 and name HE1
  ) 4.0 0.8 0.8 volume=0.262 peak=411 ppm1=4.065 ppm2=7.831

assign ( resid 90 and name HA
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.6 0.7 0.7 volume=0.509 peak=412 ppm1=4.379 ppm2=8.885

assign ( resid 10 and name HA
  )
       ( resid 7 and name HN
  or resid 10 and name HN
  or resid 26 and name HN
  or resid 105 and name HN
  ) 4.1 0.8 0.8 volume=0.229 peak=413 ppm1=4.944 ppm2=8.315

assign ( resid 10 and name HA
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 92 and name HA
  or resid 106 and name HA
  ) 3.4 0.7 0.7 volume=0.639 peak=414 ppm1=4.934 ppm2=4.376

assign ( resid 14 and name HA
  )
       ( resid 15 and name HD3
  or resid 39 and name HD2
  or resid 39 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 3.4 0.7 0.7 volume=0.739 peak=415 ppm1=4.368 ppm2=3.607

assign ( resid 14 and name HA
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 24 and name HA
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 87 and name HD2
  or resid 88 and name HA
  ) 3.3 0.7 0.7 volume=0.865 peak=416 ppm1=4.369 ppm2=4.086

assign ( resid 14 and name HA
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  ) 3.6 0.7 0.7 volume=0.485 peak=417 ppm1=4.354 ppm2=2.450

assign ( resid 7 and name HA
  )
       ( resid 7 and name HB3
  or resid 7 and name HB2
  or resid 23 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 71 and name HB3
  or resid 72 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 2.8 0.6 0.6 volume=2.470 peak=418 ppm1=4.600 ppm2=2.647

assign ( resid 98 and name HA
  )
       ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 71 and name HB3
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 2.6 0.5 0.5 volume=3.707 peak=419 ppm1=4.553 ppm2=2.661

assign ( resid 55 and name HA
  )
       ( resid 12 and name HG
  or resid 22 and name HD1#
  or resid 40 and name HB3
  or resid 55 and name HB#
  or resid 59 and name HG12
  ) 2.8 0.6 0.6 volume=3.199 peak=420 ppm1=4.061 ppm2=1.343

assign ( resid 10 and name HA
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 39 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.7 0.7 0.7 volume=0.404 peak=421 ppm1=4.942 ppm2=1.963

assign ( resid 41 and name HA
  )
       ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 3.4 0.7 0.7 volume=0.654 peak=422 ppm1=5.069 ppm2=1.922

assign ( resid 10 and name HA
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 103 and name HB3
  or resid 104 and name HB2
  or resid 105 and name HB2
  or resid 105 and name HB3
  ) 3.6 0.7 0.7 volume=0.468 peak=423 ppm1=4.935 ppm2=1.794

assign ( resid 41 and name HA
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 3.5 0.7 0.7 volume=0.555 peak=424 ppm1=5.071 ppm2=1.788

assign ( resid 10 and name HA
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.1 0.8 0.8 volume=0.655 peak=425 ppm1=4.941 ppm2=0.912

assign ( resid 10 and name HA
  )
       ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 4.0 0.8 0.8 volume=0.254 peak=426 ppm1=4.924 ppm2=1.507

assign ( resid 8 and name HA
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.8 0.8 0.8 volume=1.067 peak=427 ppm1=4.572 ppm2=0.917

assign ( resid 90 and name HA
  )
       ( resid 8 and name HD2#
  or resid 9 and name HG2#
  or resid 9 and name HD1#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD1#
  or resid 97 and name HD2#
  or resid 107 and name HG1#
  ) 4.0 0.8 0.8 volume=0.836 peak=428 ppm1=4.413 ppm2=0.870

assign ( resid 79 and name HA
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.3 0.7 0.7 volume=2.404 peak=429 ppm1=4.259 ppm2=0.886

assign ( resid 8 and name HA
  )
       ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 45 and name HG2#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  ) 3.5 0.7 0.7 volume=1.756 peak=430 ppm1=4.583 ppm2=0.841

assign ( resid 90 and name HA
  )
       ( resid 21 and name HD2#
  or resid 42 and name HG3
  or resid 60 and name HD1#
  or resid 90 and name HD1#
  ) 3.3 0.7 0.7 volume=1.594 peak=431 ppm1=4.392 ppm2=0.753

assign ( resid 8 and name HA
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 99 and name HB2
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 3.3 0.7 0.7 volume=0.877 peak=432 ppm1=4.577 ppm2=1.693

assign ( resid 8 and name HA
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.3 0.7 0.7 volume=0.867 peak=433 ppm1=4.579 ppm2=1.467

assign ( resid 79 and name HA
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.1 0.6 0.6 volume=1.231 peak=434 ppm1=4.264 ppm2=1.760

assign ( resid 90 and name HA
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.6 0.7 0.7 volume=0.536 peak=435 ppm1=4.414 ppm2=1.594

assign ( resid 14 and name HA
  or resid 90 and name HA
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 29 and name HD3
  or resid 44 and name HG3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.5 0.7 0.7 volume=0.571 peak=436 ppm1=4.395 ppm2=1.435

assign ( resid 14 and name HA
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.3 0.7 0.7 volume=0.846 peak=437 ppm1=4.376 ppm2=2.139

assign ( resid 14 and name HA
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 3.5 0.7 0.7 volume=0.602 peak=438 ppm1=4.366 ppm2=1.996

assign ( resid 82 and name HA
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 104 and name HB2
  or resid 106 and name HB2
  ) 3.4 0.7 0.7 volume=0.712 peak=439 ppm1=3.258 ppm2=1.858

assign ( resid 82 and name HA
  )
       ( resid 3 and name HG2
  or resid 8 and name HG
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  or resid 97 and name HB2
  ) 3.4 0.7 0.7 volume=0.747 peak=440 ppm1=3.251 ppm2=1.609

assign ( resid 44 and name HA
  )
       ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  or resid 97 and name HD2#
  ) 4.5 0.9 0.9 volume=0.277 peak=441 ppm1=5.138 ppm2=0.806

assign ( resid 44 and name HA
  )
       ( resid 12 and name HD1#
  or resid 45 and name HG1#
  ) 4.6 0.9 0.9 volume=0.348 peak=442 ppm1=5.138 ppm2=0.639

assign ( resid 44 and name HA
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.6 0.7 0.7 volume=0.491 peak=443 ppm1=5.154 ppm2=1.595

assign ( resid 44 and name HA
  )
       ( resid 19 and name HA
  or resid 71 and name HA
  ) 3.5 0.7 0.7 volume=0.578 peak=444 ppm1=5.145 ppm2=5.004

assign ( resid 82 and name HA
  )
       ( resid 22 and name HN
  or resid 82 and name HN
  ) 3.7 0.7 0.7 volume=0.398 peak=445 ppm1=3.275 ppm2=9.265

assign ( resid 14 and name HA
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.7 0.7 0.7 volume=0.443 peak=446 ppm1=4.378 ppm2=8.376

assign ( resid 44 and name HA
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.3 0.7 0.7 volume=0.760 peak=447 ppm1=5.133 ppm2=8.141

assign ( resid 21 and name HA
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 60 and name HG12
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.6 0.7 0.7 volume=0.461 peak=448 ppm1=5.260 ppm2=1.519

assign ( resid 21 and name HA
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  or resid 59 and name HD1#
  ) 3.9 0.8 0.8 volume=0.918 peak=449 ppm1=5.250 ppm2=0.604

assign ( resid 21 and name HA
  )
       ( resid 21 and name HB3
  or resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 4.3 0.9 0.9 volume=0.292 peak=450 ppm1=5.260 ppm2=1.041

assign ( resid 21 and name HA
  )
       ( resid 2 and name HA
  or resid 34 and name HA
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.7 0.7 0.7 volume=0.401 peak=451 ppm1=5.249 ppm2=4.532

assign ( resid 21 and name HA
  )
       ( resid 22 and name HN
  or resid 72 and name HN
  ) 3.5 0.7 0.7 volume=0.621 peak=452 ppm1=5.240 ppm2=9.299

assign ( resid 21 and name HA
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 54 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.8 0.8 0.8 volume=0.363 peak=453 ppm1=5.243 ppm2=8.491

assign ( resid 21 and name HA
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.9 0.8 0.8 volume=0.328 peak=454 ppm1=5.251 ppm2=8.219

assign ( resid 22 and name HA
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.8 0.8 0.8 volume=0.336 peak=455 ppm1=6.038 ppm2=1.576

assign ( resid 22 and name HA
  )
       ( resid 21 and name HB3
  or resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 40 and name HD3
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 3.9 0.8 0.8 volume=0.532 peak=456 ppm1=6.032 ppm2=1.046

assign ( resid 91 and name HA
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 91 and name HB3
  ) 3.2 0.6 0.6 volume=1.059 peak=457 ppm1=4.837 ppm2=2.745

assign ( resid 91 and name HA
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.6 0.7 0.7 volume=0.481 peak=458 ppm1=4.833 ppm2=1.594

assign ( resid 91 and name HA
  )
       ( resid 8 and name HD2#
  or resid 9 and name HG2#
  or resid 9 and name HD1#
  or resid 63 and name HD2#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  ) 4.1 0.8 0.8 volume=0.645 peak=459 ppm1=4.833 ppm2=0.848

assign ( resid 22 and name HA
  )
       ( resid 3 and name HA
  or resid 5 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 32 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  or resid 103 and name HA
  ) 4.0 0.8 0.8 volume=0.245 peak=460 ppm1=6.012 ppm2=4.251

assign ( resid 22 and name HA
  )
       ( resid 23 and name HN
  or resid 73 and name HN
  ) 3.4 0.7 0.7 volume=0.647 peak=461 ppm1=6.037 ppm2=9.609

assign ( resid 22 and name HA
  )
       ( resid 22 and name HN
  or resid 72 and name HN
  ) 4.1 0.8 0.8 volume=0.240 peak=462 ppm1=6.036 ppm2=9.303

assign ( resid 22 and name HA
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 4.1 0.8 0.8 volume=0.233 peak=463 ppm1=6.033 ppm2=8.891

assign ( resid 68 and name HA
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 20 and name HA1
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  ) 3.7 0.7 0.7 volume=0.453 peak=464 ppm1=5.194 ppm2=2.951

assign ( resid 68 and name HA
  )
       ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 3.5 0.7 0.7 volume=0.551 peak=465 ppm1=5.194 ppm2=2.673

assign ( resid 68 and name HA
  )
       ( resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB2
  or resid 102 and name HG2
  or resid 102 and name HG3
  ) 3.8 0.8 0.8 volume=0.375 peak=466 ppm1=5.183 ppm2=2.183

assign ( resid 68 and name HA
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.4 0.9 0.9 volume=0.473 peak=467 ppm1=5.185 ppm2=0.914

assign ( resid 68 and name HA
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 59 and name HD1#
  ) 4.5 0.9 0.9 volume=0.366 peak=468 ppm1=5.200 ppm2=0.599

assign ( resid 15 and name HD2
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 57 and name HB3
  or resid 69 and name HB2
  ) 4.1 0.8 0.8 volume=0.229 peak=469 ppm1=4.098 ppm2=2.466

assign ( resid 15 and name HD3
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  ) 3.7 0.7 0.7 volume=0.411 peak=470 ppm1=3.602 ppm2=2.456

assign ( resid 15 and name HD2
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.6 0.7 0.7 volume=0.541 peak=471 ppm1=4.065 ppm2=2.157

assign ( resid 15 and name HD3
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.5 0.7 0.7 volume=0.663 peak=472 ppm1=3.610 ppm2=2.150

assign ( resid 15 and name HD2
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.8 0.8 0.8 volume=0.355 peak=473 ppm1=4.070 ppm2=1.989

assign ( resid 15 and name HD3
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 3.7 0.7 0.7 volume=0.395 peak=474 ppm1=3.599 ppm2=1.992

assign ( resid 15 and name HD3
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 104 and name HB2
  or resid 106 and name HB2
  ) 3.9 0.8 0.8 volume=0.322 peak=475 ppm1=3.576 ppm2=1.855

assign ( resid 15 and name HD2
  )
       ( resid 3 and name HG2
  or resid 8 and name HG
  or resid 15 and name HG3
  or resid 25 and name HG2
  or resid 31 and name HG3
  or resid 32 and name HG12
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 79 and name HB3
  or resid 82 and name HB3
  or resid 83 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  or resid 97 and name HB2
  or resid 99 and name HB3
  ) 3.8 0.8 0.8 volume=0.368 peak=476 ppm1=4.083 ppm2=1.629

assign ( resid 15 and name HD3
  )
       ( resid 8 and name HG
  or resid 15 and name HG3
  or resid 32 and name HG12
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 92 and name HB2
  or resid 97 and name HB2
  or resid 99 and name HB3
  ) 3.7 0.7 0.7 volume=0.394 peak=477 ppm1=3.605 ppm2=1.641

assign ( resid 15 and name HD2
  )
       ( resid 73 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 4.0 0.8 0.8 volume=0.255 peak=478 ppm1=4.074 ppm2=3.399

assign ( resid 15 and name HD3
  )
       ( resid 36 and name HB3
  or resid 41 and name HD2
  or resid 41 and name HD3
  or resid 58 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 3.8 0.8 0.8 volume=0.370 peak=479 ppm1=3.587 ppm2=3.344

assign ( resid 15 and name HD2
  )
       ( resid 15 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 3.1 0.6 0.6 volume=1.107 peak=480 ppm1=4.079 ppm2=3.598

assign ( resid 15 and name HD3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.2 0.6 0.6 volume=0.948 peak=481 ppm1=3.605 ppm2=4.083

assign ( resid 15 and name HD2
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 92 and name HA
  or resid 106 and name HA
  ) 3.2 0.6 0.6 volume=0.972 peak=482 ppm1=4.087 ppm2=4.373

assign ( resid 15 and name HD3
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 92 and name HA
  or resid 106 and name HA
  ) 3.1 0.6 0.6 volume=1.290 peak=483 ppm1=3.589 ppm2=4.375

assign ( resid 68 and name HA
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 54 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.0 0.6 0.6 volume=1.388 peak=484 ppm1=5.200 ppm2=8.490

assign ( resid 68 and name HA
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  ) 3.5 0.7 0.7 volume=0.587 peak=485 ppm1=5.187 ppm2=8.186

assign ( resid 64 and name HA
  )
       ( resid 13 and name HN
  or resid 18 and name HN
  or resid 32 and name HN
  or resid 58 and name HN
  or resid 65 and name HN
  ) 3.0 0.6 0.6 volume=1.615 peak=486 ppm1=5.047 ppm2=8.586

assign ( resid 64 and name HA
  )
       ( resid 4 and name HD2
  or resid 14 and name HE22
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 72 and name HE#
  or resid 95 and name HD21
  ) 3.9 0.8 0.8 volume=0.368 peak=487 ppm1=5.057 ppm2=6.919

assign ( resid 64 and name HA
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  ) 3.4 0.7 0.7 volume=0.717 peak=488 ppm1=5.045 ppm2=2.865

assign ( resid 64 and name HA
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.8 0.8 0.8 volume=0.347 peak=489 ppm1=5.057 ppm2=2.002

assign ( resid 64 and name HA
  )
       ( resid 21 and name HB3
  or resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 40 and name HD3
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 4.2 0.8 0.8 volume=0.324 peak=490 ppm1=5.066 ppm2=1.049

assign ( resid 64 and name HA
  )
       ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 63 and name HD1#
  or resid 65 and name HG2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HG2#
  or resid 107 and name HG2#
  ) 4.8 1.0 1.0 volume=0.242 peak=491 ppm1=5.053 ppm2=0.948

assign ( resid 87 and name HD3
  )
       ( resid 12 and name HB2
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 40 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.8 0.8 0.8 volume=0.364 peak=492 ppm1=3.722 ppm2=2.019

assign ( resid 39 and name HD2
  or resid 39 and name HD3
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.8 0.8 0.8 volume=0.374 peak=493 ppm1=3.647 ppm2=2.002

assign ( resid 39 and name HD2
  or resid 39 and name HD3
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 3.1 0.6 0.6 volume=1.251 peak=494 ppm1=3.642 ppm2=1.772

assign ( resid 31 and name HD3
  )
       ( resid 8 and name HB2
  or resid 12 and name HB3
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 103 and name HB3
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  or resid 106 and name HB3
  ) 3.7 0.7 0.7 volume=0.423 peak=495 ppm1=3.944 ppm2=1.722

assign ( resid 31 and name HD3
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.9 0.8 0.8 volume=0.325 peak=496 ppm1=3.942 ppm2=1.590

assign ( resid 31 and name HD2
  or resid 87 and name HD2
  )
       ( resid 3 and name HB3
  or resid 8 and name HB2
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 103 and name HB3
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  or resid 106 and name HB3
  ) 4.2 0.8 0.8 volume=0.186 peak=497 ppm1=4.100 ppm2=1.729

assign ( resid 31 and name HD3
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 5 and name HB2
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  or resid 106 and name HB2
  ) 4.1 0.8 0.8 volume=0.211 peak=498 ppm1=3.937 ppm2=1.889

assign ( resid 31 and name HD2
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 4.3 0.9 0.9 volume=0.174 peak=499 ppm1=4.089 ppm2=1.574

assign ( resid 87 and name HD2
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.9 0.8 0.8 volume=0.315 peak=500 ppm1=4.120 ppm2=2.151

assign ( resid 31 and name HD2
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 5 and name HB2
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  or resid 106 and name HB2
  ) 3.9 0.8 0.8 volume=0.301 peak=501 ppm1=4.088 ppm2=1.888

assign ( resid 31 and name HD3
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 78 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  or resid 107 and name HB
  ) 4.1 0.8 0.8 volume=0.234 peak=502 ppm1=3.933 ppm2=2.125

assign ( resid 39 and name HD2
  or resid 39 and name HD3
  )
       ( resid 9 and name HG13
  or resid 19 and name HG2#
  or resid 39 and name HB3
  or resid 42 and name HG2
  ) 3.9 0.8 0.8 volume=0.379 peak=503 ppm1=3.631 ppm2=1.144

assign ( resid 70 and name HA
  )
       ( resid 22 and name HD1#
  or resid 40 and name HB3
  or resid 55 and name HB#
  ) 3.8 0.8 0.8 volume=0.607 peak=504 ppm1=4.514 ppm2=1.361

assign ( resid 70 and name HA
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 3.6 0.7 0.7 volume=1.000 peak=505 ppm1=4.525 ppm2=1.030

assign ( resid 87 and name HD3
  )
       ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  or resid 97 and name HD2#
  ) 4.5 0.9 0.9 volume=0.294 peak=506 ppm1=3.716 ppm2=0.807

assign ( resid 87 and name HD3
  )
       ( resid 43 and name HG1#
  ) 4.6 0.9 0.9 volume=0.325 peak=507 ppm1=3.721 ppm2=0.448

assign ( resid 87 and name HD2
  )
       ( resid 12 and name HA
  or resid 15 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 3.4 0.7 0.7 volume=0.652 peak=508 ppm1=4.143 ppm2=3.725

assign ( resid 87 and name HD3
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  or resid 106 and name HA
  ) 3.6 0.7 0.7 volume=0.532 peak=509 ppm1=3.719 ppm2=4.381

assign ( resid 39 and name HD2
  or resid 39 and name HD3
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.0 0.6 0.6 volume=1.447 peak=510 ppm1=3.651 ppm2=4.286

assign ( resid 87 and name HD3
  )
       ( resid 24 and name HA
  or resid 31 and name HD2
  or resid 52 and name HA2
  or resid 80 and name HA2
  or resid 87 and name HD2
  ) 3.6 0.7 0.7 volume=0.529 peak=511 ppm1=3.723 ppm2=4.128

assign ( resid 31 and name HD3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 24 and name HA
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 52 and name HA2
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 87 and name HD2
  ) 3.2 0.6 0.6 volume=0.971 peak=512 ppm1=3.936 ppm2=4.099

assign ( resid 31 and name HD2
  )
       ( resid 2 and name HB2
  or resid 31 and name HD3
  or resid 49 and name HA
  or resid 80 and name HA1
  or resid 93 and name HA2
  or resid 93 and name HA1
  ) 3.1 0.6 0.6 volume=1.101 peak=513 ppm1=4.090 ppm2=3.953

assign ( resid 87 and name HD2
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 92 and name HA
  or resid 106 and name HA
  ) 3.7 0.7 0.7 volume=0.426 peak=514 ppm1=4.126 ppm2=4.375

assign ( resid 31 and name HD2
  )
       ( resid 21 and name HA
  or resid 30 and name HA
  or resid 45 and name HA
  or resid 68 and name HA
  ) 3.4 0.7 0.7 volume=0.722 peak=515 ppm1=4.094 ppm2=5.230

assign ( resid 31 and name HD3
  )
       ( resid 21 and name HA
  or resid 30 and name HA
  or resid 68 and name HA
  ) 3.4 0.7 0.7 volume=0.663 peak=516 ppm1=3.948 ppm2=5.218

assign ( resid 70 and name HA
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 86 and name HN
  or resid 90 and name HN
  ) 3.3 0.7 0.7 volume=0.843 peak=517 ppm1=4.518 ppm2=8.879

assign ( resid 39 and name HD2
  or resid 39 and name HD3
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 3.7 0.7 0.7 volume=0.407 peak=518 ppm1=3.630 ppm2=8.459

assign ( resid 87 and name HD2
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 4.1 0.8 0.8 volume=0.238 peak=519 ppm1=4.129 ppm2=1.975

assign ( resid 87 and name HD2
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 29 and name HD3
  or resid 44 and name HG3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.9 0.8 0.8 volume=0.292 peak=520 ppm1=4.128 ppm2=1.430

assign ( resid 87 and name HD3
  )
       ( resid 8 and name HB3
  or resid 29 and name HD3
  or resid 44 and name HG3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 4.0 0.8 0.8 volume=0.254 peak=521 ppm1=3.724 ppm2=1.428

assign ( resid 70 and name HA
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.9 0.8 0.8 volume=0.306 peak=522 ppm1=4.516 ppm2=1.590

assign ( resid 21 and name HB2
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  ) 3.7 0.7 0.7 volume=0.539 peak=523 ppm1=1.587 ppm2=1.107

assign ( resid 21 and name HB2
  )
       ( resid 21 and name HD2#
  or resid 90 and name HD1#
  ) 4.2 0.8 0.8 volume=0.547 peak=524 ppm1=1.595 ppm2=0.737

assign ( resid 21 and name HB2
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  or resid 59 and name HD1#
  ) 4.7 0.9 0.9 volume=0.281 peak=525 ppm1=1.573 ppm2=0.603

assign ( resid 21 and name HB3
  )
       ( resid 21 and name HD2#
  or resid 90 and name HD1#
  ) 4.4 0.9 0.9 volume=0.457 peak=526 ppm1=1.082 ppm2=0.734

assign ( resid 21 and name HB3
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  or resid 59 and name HD1#
  ) 4.3 0.9 0.9 volume=0.519 peak=527 ppm1=1.093 ppm2=0.603

assign ( resid 21 and name HB3
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.5 0.7 0.7 volume=0.547 peak=528 ppm1=1.091 ppm2=1.566

assign ( resid 21 and name HB3
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 88 and name HD3
  ) 4.0 0.8 0.8 volume=0.261 peak=529 ppm1=1.098 ppm2=3.501

assign ( resid 21 and name HB2
  )
       ( resid 21 and name HA
  or resid 30 and name HA
  or resid 45 and name HA
  ) 4.0 0.8 0.8 volume=0.258 peak=530 ppm1=1.590 ppm2=5.256

assign ( resid 21 and name HB3
  )
       ( resid 21 and name HA
  or resid 45 and name HA
  ) 3.8 0.8 0.8 volume=0.342 peak=531 ppm1=1.095 ppm2=5.269

assign ( resid 21 and name HB2
  )
       ( resid 9 and name HN
  or resid 21 and name HN
  or resid 34 and name HN
  or resid 54 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.8 0.8 0.8 volume=0.338 peak=532 ppm1=1.567 ppm2=8.502

assign ( resid 21 and name HB3
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 4.0 0.8 0.8 volume=0.253 peak=533 ppm1=1.086 ppm2=8.486

assign ( resid 80 and name HA2
  )
       ( resid 25 and name HN
  or resid 38 and name HN
  or resid 63 and name HN
  or resid 81 and name HN
  ) 3.9 0.8 0.8 volume=0.302 peak=534 ppm1=4.097 ppm2=8.438

assign ( resid 80 and name HA1
  )
       ( resid 25 and name HN
  or resid 38 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 81 and name HN
  ) 3.9 0.8 0.8 volume=0.313 peak=535 ppm1=3.978 ppm2=8.433

assign ( resid 80 and name HA1
  )
       ( resid 18 and name HE21
  or resid 68 and name HD21
  or resid 80 and name HN
  or resid 107 and name HN
  ) 3.3 0.7 0.7 volume=0.770 peak=536 ppm1=3.994 ppm2=7.721

assign ( resid 80 and name HA2
  )
       ( resid 18 and name HE21
  or resid 68 and name HD21
  or resid 80 and name HN
  or resid 107 and name HN
  ) 3.3 0.7 0.7 volume=0.798 peak=537 ppm1=4.106 ppm2=7.725

assign ( resid 80 and name HA2
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 4.1 0.8 0.8 volume=0.239 peak=538 ppm1=4.086 ppm2=1.597

assign ( resid 80 and name HA1
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 4.0 0.8 0.8 volume=0.274 peak=539 ppm1=3.973 ppm2=1.511

assign ( resid 93 and name HA1
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.3 0.9 0.9 volume=0.540 peak=540 ppm1=3.934 ppm2=0.910

assign ( resid 22 and name HB2
  or resid 63 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.5 0.7 0.7 volume=1.705 peak=541 ppm1=1.748 ppm2=0.916

assign ( resid 63 and name HB3
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.4 0.7 0.7 volume=1.917 peak=542 ppm1=1.615 ppm2=0.915

assign ( resid 22 and name HB3
  )
       ( resid 21 and name HB3
  or resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 40 and name HD3
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 4.0 0.8 0.8 volume=0.417 peak=543 ppm1=1.509 ppm2=1.049

assign ( resid 22 and name HB2
  or resid 63 and name HB2
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 4.1 0.8 0.8 volume=0.515 peak=544 ppm1=1.745 ppm2=1.035

assign ( resid 22 and name HB2
  )
       ( resid 22 and name HD1#
  or resid 40 and name HB3
  or resid 55 and name HB#
  ) 4.1 0.8 0.8 volume=0.401 peak=545 ppm1=1.758 ppm2=1.362

assign ( resid 22 and name HB3
  )
       ( resid 22 and name HD1#
  or resid 40 and name HB3
  or resid 55 and name HB#
  ) 4.0 0.8 0.8 volume=0.450 peak=546 ppm1=1.525 ppm2=1.358

assign ( resid 22 and name HB2
  )
       ( resid 13 and name HG3
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 90 and name HB2
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.8 0.8 0.8 volume=0.376 peak=547 ppm1=1.746 ppm2=1.534

assign ( resid 22 and name HB3
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.6 0.7 0.7 volume=0.482 peak=548 ppm1=1.517 ppm2=1.760

assign ( resid 66 and name HA1
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  ) 4.1 0.8 0.8 volume=0.282 peak=549 ppm1=3.186 ppm2=1.098

assign ( resid 20 and name HA1
  )
       ( resid 21 and name HB3
  or resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  ) 3.9 0.8 0.8 volume=0.459 peak=550 ppm1=2.931 ppm2=1.078

assign ( resid 66 and name HA2
  )
       ( resid 21 and name HB3
  or resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  ) 4.3 0.9 0.9 volume=0.271 peak=551 ppm1=3.478 ppm2=1.062

assign ( resid 66 and name HA2
  )
       ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.5 0.9 0.9 volume=0.384 peak=552 ppm1=3.474 ppm2=0.924

assign ( resid 20 and name HA1
  )
       ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  ) 4.2 0.8 0.8 volume=0.404 peak=553 ppm1=2.940 ppm2=0.803

assign ( resid 66 and name HA1
  )
       ( resid 21 and name HD2#
  or resid 90 and name HD1#
  ) 4.3 0.9 0.9 volume=0.477 peak=554 ppm1=3.197 ppm2=0.732

assign ( resid 66 and name HA2
  )
       ( resid 21 and name HD2#
  or resid 90 and name HD1#
  ) 4.8 1.0 1.0 volume=0.277 peak=555 ppm1=3.484 ppm2=0.730

assign ( resid 20 and name HA1
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  or resid 59 and name HD1#
  ) 4.4 0.9 0.9 volume=0.415 peak=556 ppm1=2.923 ppm2=0.606

assign ( resid 66 and name HA1
  )
       ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 63 and name HD1#
  or resid 65 and name HG2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HG2#
  or resid 107 and name HG2#
  ) 5.0 1.0 1.0 volume=0.190 peak=557 ppm1=3.208 ppm2=0.947

assign ( resid 20 and name HA2
  )
       ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  or resid 97 and name HD2#
  ) 4.3 0.9 0.9 volume=0.388 peak=558 ppm1=4.255 ppm2=0.806

assign ( resid 20 and name HA2
  )
       ( resid 21 and name HB3
  or resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  ) 3.9 0.8 0.8 volume=0.475 peak=559 ppm1=4.262 ppm2=1.059

assign ( resid 66 and name HA2
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 4.0 0.8 0.8 volume=0.243 peak=560 ppm1=3.460 ppm2=1.567

assign ( resid 66 and name HA1
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 4.0 0.8 0.8 volume=0.277 peak=561 ppm1=3.204 ppm2=1.591

assign ( resid 20 and name HA1
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.3 0.7 0.7 volume=0.891 peak=562 ppm1=2.922 ppm2=4.263

assign ( resid 66 and name HA2
  )
       ( resid 23 and name HA
  or resid 30 and name HA
  or resid 44 and name HA
  or resid 68 and name HA
  ) 3.8 0.8 0.8 volume=0.361 peak=563 ppm1=3.468 ppm2=5.187

assign ( resid 28 and name HA1
  )
       ( resid 8 and name HN
  or resid 28 and name HN
  or resid 52 and name HN
  or resid 64 and name HD21
  ) 3.5 0.7 0.7 volume=0.575 peak=564 ppm1=4.444 ppm2=7.918

assign ( resid 28 and name HA1
  )
       ( resid 29 and name HN
  or resid 54 and name HE22
  or resid 74 and name HZ2
  or resid 84 and name HN
  or resid 91 and name HD21
  ) 3.9 0.8 0.8 volume=0.300 peak=565 ppm1=4.437 ppm2=7.543

assign ( resid 28 and name HA1
  )
       ( resid 27 and name HN
  or resid 36 and name HD#
  ) 4.2 0.8 0.8 volume=0.255 peak=566 ppm1=4.438 ppm2=7.155

assign ( resid 28 and name HA1
  )
       ( resid 4 and name HD2
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 72 and name HE#
  or resid 95 and name HD21
  ) 4.2 0.8 0.8 volume=0.234 peak=567 ppm1=4.429 ppm2=6.891

assign ( resid 28 and name HA2
  )
       ( resid 8 and name HN
  or resid 28 and name HN
  or resid 52 and name HN
  or resid 64 and name HD21
  ) 3.4 0.7 0.7 volume=0.681 peak=568 ppm1=3.742 ppm2=7.918

assign ( resid 28 and name HA2
  )
       ( resid 29 and name HN
  or resid 54 and name HE22
  or resid 74 and name HZ2
  or resid 84 and name HN
  or resid 91 and name HD21
  ) 3.8 0.8 0.8 volume=0.345 peak=569 ppm1=3.736 ppm2=7.548

assign ( resid 66 and name HA2
  )
       ( resid 66 and name HN
  or resid 74 and name HN
  ) 3.7 0.7 0.7 volume=0.445 peak=570 ppm1=3.473 ppm2=9.074

assign ( resid 66 and name HA2
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 3.5 0.7 0.7 volume=0.539 peak=571 ppm1=3.468 ppm2=8.484

assign ( resid 66 and name HA2
  )
       ( resid 6 and name HN
  or resid 45 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  ) 3.7 0.7 0.7 volume=0.413 peak=572 ppm1=3.466 ppm2=8.179

assign ( resid 66 and name HA1
  )
       ( resid 66 and name HN
  or resid 74 and name HN
  ) 3.6 0.7 0.7 volume=0.471 peak=573 ppm1=3.208 ppm2=9.063

assign ( resid 66 and name HA1
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 3.6 0.7 0.7 volume=0.494 peak=574 ppm1=3.199 ppm2=8.479

assign ( resid 20 and name HA2
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 54 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.4 0.7 0.7 volume=0.674 peak=575 ppm1=4.257 ppm2=8.491

assign ( resid 20 and name HA2
  )
       ( resid 8 and name HN
  or resid 20 and name HN
  or resid 64 and name HD21
  or resid 101 and name HN
  ) 3.8 0.8 0.8 volume=0.383 peak=576 ppm1=4.248 ppm2=7.973

assign ( resid 20 and name HA1
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 54 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.7 0.7 0.7 volume=0.400 peak=577 ppm1=2.950 ppm2=8.489

assign ( resid 20 and name HA1
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 54 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.6 0.7 0.7 volume=0.495 peak=578 ppm1=2.915 ppm2=8.491

assign ( resid 20 and name HA1
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  or resid 64 and name HD21
  or resid 101 and name HN
  ) 3.9 0.8 0.8 volume=0.321 peak=579 ppm1=2.931 ppm2=7.985

assign ( resid 63 and name HB3
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 81 and name HN
  or resid 106 and name HN
  ) 3.4 0.7 0.7 volume=0.712 peak=580 ppm1=1.623 ppm2=8.407

assign ( resid 63 and name HB2
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.2 0.6 0.6 volume=0.914 peak=581 ppm1=1.748 ppm2=8.398

assign ( resid 22 and name HB2
  or resid 63 and name HB2
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.9 0.8 0.8 volume=0.299 peak=582 ppm1=1.777 ppm2=8.230

assign ( resid 63 and name HB3
  )
       ( resid 4 and name HD2
  or resid 14 and name HE22
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 72 and name HE#
  or resid 95 and name HD21
  ) 4.1 0.8 0.8 volume=0.261 peak=583 ppm1=1.608 ppm2=6.921

assign ( resid 63 and name HB2
  )
       ( resid 4 and name HD2
  or resid 14 and name HE22
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 72 and name HE#
  or resid 95 and name HD21
  ) 3.8 0.8 0.8 volume=0.462 peak=584 ppm1=1.753 ppm2=6.915

assign ( resid 63 and name HB3
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 84 and name HA
  ) 3.3 0.7 0.7 volume=0.800 peak=585 ppm1=1.612 ppm2=4.491

assign ( resid 63 and name HB2
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  ) 3.2 0.6 0.6 volume=0.986 peak=586 ppm1=1.753 ppm2=4.479

assign ( resid 28 and name HA2
  )
       ( resid 28 and name HA1
  or resid 63 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 84 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  ) 4.0 0.8 0.8 volume=0.269 peak=587 ppm1=3.733 ppm2=4.436

assign ( resid 28 and name HA1
  )
       ( resid 12 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 3.0 0.6 0.6 volume=1.528 peak=588 ppm1=4.434 ppm2=3.746

assign ( resid 66 and name HA1
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  ) 3.5 0.7 0.7 volume=0.574 peak=589 ppm1=3.188 ppm2=3.473

assign ( resid 66 and name HA2
  )
       ( resid 6 and name HB2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 76 and name HB2
  ) 3.5 0.7 0.7 volume=0.561 peak=590 ppm1=3.483 ppm2=3.209

assign ( resid 20 and name HA2
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  or resid 59 and name HD1#
  ) 4.6 0.9 0.9 volume=0.340 peak=591 ppm1=4.240 ppm2=0.601

assign ( resid 20 and name HA2
  )
       ( resid 20 and name HA1
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 83 and name HE3
  or resid 83 and name HE2
  ) 3.4 0.7 0.7 volume=0.708 peak=592 ppm1=4.262 ppm2=2.932

assign ( resid 52 and name HA2
  )
       ( resid 6 and name HE#
  or resid 51 and name HN
  or resid 51 and name HD#
  or resid 55 and name HN
  or resid 62 and name HD21
  or resid 101 and name HE#
  or resid 101 and name HZ
  ) 4.0 0.8 0.8 volume=0.349 peak=593 ppm1=4.138 ppm2=7.331

assign ( resid 52 and name HA1
  )
       ( resid 6 and name HE#
  or resid 51 and name HN
  or resid 51 and name HD#
  or resid 55 and name HN
  or resid 62 and name HD21
  or resid 101 and name HE#
  or resid 101 and name HZ
  ) 4.2 0.8 0.8 volume=0.249 peak=594 ppm1=3.855 ppm2=7.338

assign ( resid 63 and name HB3
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 31 and name HG2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 2.6 0.5 0.5 volume=3.474 peak=595 ppm1=1.621 ppm2=1.750

assign ( resid 16 and name HA1
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 63 and name HD1#
  or resid 65 and name HG2#
  or resid 67 and name HG1#
  ) 4.3 0.9 0.9 volume=0.403 peak=596 ppm1=3.838 ppm2=0.958

assign ( resid 16 and name HA2
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 63 and name HD1#
  or resid 65 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 107 and name HG2#
  ) 4.1 0.8 0.8 volume=0.533 peak=597 ppm1=4.583 ppm2=0.957

assign ( resid 52 and name HA2
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 13 and name HE3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.8 0.8 0.8 volume=0.359 peak=598 ppm1=4.131 ppm2=3.024

assign ( resid 16 and name HA2
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 11 and name HA
  or resid 16 and name HA1
  or resid 74 and name HA
  or resid 78 and name HA
  or resid 94 and name HB2
  ) 3.0 0.6 0.6 volume=1.338 peak=599 ppm1=4.565 ppm2=3.826

assign ( resid 52 and name HA2
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 16 and name HA1
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 78 and name HA
  or resid 94 and name HB3
  or resid 94 and name HB2
  ) 3.0 0.6 0.6 volume=1.362 peak=600 ppm1=4.123 ppm2=3.865

assign ( resid 52 and name HA1
  )
       ( resid 24 and name HA
  or resid 31 and name HD2
  or resid 52 and name HA2
  or resid 80 and name HA2
  or resid 87 and name HD2
  ) 3.0 0.6 0.6 volume=1.546 peak=601 ppm1=3.863 ppm2=4.130

assign ( resid 16 and name HA1
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 7 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.2 0.6 0.6 volume=1.081 peak=602 ppm1=3.817 ppm2=4.580

assign ( resid 16 and name HA1
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.4 0.7 0.7 volume=0.655 peak=603 ppm1=3.838 ppm2=8.237

assign ( resid 16 and name HA2
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.4 0.7 0.7 volume=0.671 peak=604 ppm1=4.575 ppm2=8.236

assign ( resid 38 and name HD2
  )
       ( resid 11 and name HB3
  or resid 29 and name HE3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 64 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB3
  ) 2.4 0.5 0.5 volume=5.120 peak=605 ppm1=2.873 ppm2=2.772

assign ( resid 38 and name HD3
  )
       ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 2.4 0.5 0.5 volume=5.131 peak=606 ppm1=2.765 ppm2=2.884

assign ( resid 38 and name HD2
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 5 and name HB2
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  ) 3.2 0.6 0.6 volume=0.992 peak=607 ppm1=2.878 ppm2=1.899

assign ( resid 38 and name HD3
  )
       ( resid 5 and name HB2
  or resid 13 and name HG2
  or resid 13 and name HD2
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  ) 3.3 0.7 0.7 volume=0.826 peak=608 ppm1=2.764 ppm2=1.906

assign ( resid 38 and name HD2
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 99 and name HB2
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 3.0 0.6 0.6 volume=1.581 peak=609 ppm1=2.872 ppm2=1.693

assign ( resid 38 and name HD3
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 99 and name HB2
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 3.1 0.6 0.6 volume=1.276 peak=610 ppm1=2.769 ppm2=1.690

assign ( resid 41 and name HD2
  or resid 41 and name HD3
  )
       ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 3.0 0.6 0.6 volume=1.512 peak=611 ppm1=3.308 ppm2=1.919

assign ( resid 3 and name HD3
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.5 0.7 0.7 volume=1.854 peak=612 ppm1=3.153 ppm2=0.909

assign ( resid 79 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.9 0.8 0.8 volume=0.884 peak=613 ppm1=1.748 ppm2=0.912

assign ( resid 85 and name HA2
  )
       ( resid 58 and name HB3
  or resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 3.3 0.7 0.7 volume=0.803 peak=614 ppm1=4.310 ppm2=3.377

assign ( resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 56 and name HA
  or resid 59 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  or resid 106 and name HA
  ) 3.1 0.6 0.6 volume=1.113 peak=615 ppm1=3.373 ppm2=4.321

assign ( resid 3 and name HD3
  or resid 44 and name HD2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 2.8 0.6 0.6 volume=2.403 peak=616 ppm1=3.149 ppm2=4.265

assign ( resid 78 and name HD3
  )
       ( resid 58 and name HB3
  or resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 2.9 0.6 0.6 volume=1.665 peak=617 ppm1=3.050 ppm2=3.375

assign ( resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  )
       ( resid 4 and name HB3
  or resid 13 and name HE3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 2.8 0.6 0.6 volume=2.113 peak=618 ppm1=3.378 ppm2=3.032

assign ( resid 78 and name HD3
  )
       ( resid 8 and name HG
  or resid 15 and name HG3
  or resid 32 and name HG12
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 92 and name HB2
  or resid 97 and name HB2
  or resid 99 and name HB3
  ) 3.2 0.6 0.6 volume=0.975 peak=619 ppm1=3.030 ppm2=1.641

assign ( resid 78 and name HD3
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.7 0.7 0.7 volume=0.441 peak=620 ppm1=3.036 ppm2=1.461

assign ( resid 3 and name HD3
  or resid 44 and name HD2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 2.2 0.4 0.4 volume=9.458 peak=621 ppm1=3.145 ppm2=1.518

assign ( resid 3 and name HD3
  or resid 44 and name HD2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  )
       ( resid 3 and name HG2
  or resid 8 and name HG
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  or resid 97 and name HB2
  ) 2.4 0.5 0.5 volume=5.550 peak=622 ppm1=3.170 ppm2=1.613

assign ( resid 3 and name HD3
  or resid 44 and name HD2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 31 and name HG2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 2.5 0.5 0.5 volume=4.535 peak=623 ppm1=3.150 ppm2=1.753

assign ( resid 3 and name HD3
  or resid 96 and name HD2
  or resid 96 and name HD3
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 5 and name HB2
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  or resid 103 and name HB2
  or resid 106 and name HB2
  ) 2.8 0.6 0.6 volume=2.399 peak=624 ppm1=3.173 ppm2=1.880

assign ( resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.3 0.7 0.7 volume=0.894 peak=625 ppm1=3.356 ppm2=1.977

assign ( resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.3 0.7 0.7 volume=0.862 peak=626 ppm1=3.389 ppm2=1.589

assign ( resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 78 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 104 and name HG3
  or resid 104 and name HG2
  ) 3.3 0.7 0.7 volume=0.817 peak=627 ppm1=3.381 ppm2=1.480

assign ( resid 41 and name HD2
  or resid 41 and name HD3
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 103 and name HB3
  or resid 104 and name HB2
  or resid 105 and name HB2
  or resid 105 and name HB3
  ) 2.8 0.6 0.6 volume=2.411 peak=628 ppm1=3.307 ppm2=1.795

assign ( resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  )
       ( resid 47 and name HN
  or resid 86 and name HN
  ) 3.6 0.7 0.7 volume=0.478 peak=629 ppm1=3.370 ppm2=8.832

assign ( resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  )
       ( resid 48 and name HD21
  or resid 85 and name HN
  or resid 88 and name HN
  or resid 107 and name HN
  ) 3.6 0.7 0.7 volume=0.496 peak=630 ppm1=3.362 ppm2=7.784

assign ( resid 85 and name HA2
  )
       ( resid 47 and name HN
  or resid 86 and name HN
  ) 3.7 0.7 0.7 volume=0.453 peak=631 ppm1=4.323 ppm2=8.836

assign ( resid 85 and name HA2
  )
       ( resid 48 and name HD21
  or resid 85 and name HN
  or resid 88 and name HN
  or resid 107 and name HN
  ) 3.6 0.7 0.7 volume=0.493 peak=632 ppm1=4.299 ppm2=7.781

assign ( resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 44 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  or resid 95 and name HD22
  ) 3.9 0.8 0.8 volume=0.294 peak=633 ppm1=3.362 ppm2=7.633

assign ( resid 3 and name HD3
  or resid 44 and name HD2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.9 0.8 0.8 volume=0.315 peak=634 ppm1=3.157 ppm2=8.124

assign ( resid 79 and name HB3
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 44 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  or resid 95 and name HD22
  ) 3.8 0.8 0.8 volume=0.340 peak=635 ppm1=1.677 ppm2=7.635

assign ( resid 79 and name HB2
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 44 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  or resid 95 and name HD22
  ) 3.7 0.7 0.7 volume=0.413 peak=636 ppm1=1.744 ppm2=7.639

assign ( resid 79 and name HB2
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.7 0.7 0.7 volume=0.450 peak=637 ppm1=1.758 ppm2=4.276

assign ( resid 79 and name HB3
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.5 0.7 0.7 volume=0.545 peak=638 ppm1=1.680 ppm2=4.267

assign ( resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.7 0.7 0.7 volume=0.438 peak=639 ppm1=3.367 ppm2=4.067

assign ( resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  )
       ( resid 88 and name HD3
  ) 3.2 0.6 0.6 volume=0.979 peak=640 ppm1=3.366 ppm2=3.535

assign ( resid 88 and name HD3
  )
       ( resid 58 and name HB3
  or resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 3.3 0.7 0.7 volume=0.836 peak=641 ppm1=3.534 ppm2=3.373

assign ( resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  ) 4.3 0.9 0.9 volume=0.237 peak=642 ppm1=3.362 ppm2=1.083

assign ( resid 88 and name HD3
  )
       ( resid 21 and name HB3
  or resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  ) 4.4 0.9 0.9 volume=0.238 peak=643 ppm1=3.542 ppm2=1.077

assign ( resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.5 0.9 0.9 volume=0.404 peak=644 ppm1=3.372 ppm2=0.894

assign ( resid 88 and name HD3
  )
       ( resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  ) 4.4 0.9 0.9 volume=0.265 peak=645 ppm1=3.521 ppm2=0.792

assign ( resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  )
       ( resid 21 and name HD2#
  or resid 42 and name HG3
  or resid 60 and name HD1#
  or resid 90 and name HD1#
  ) 4.3 0.9 0.9 volume=0.343 peak=646 ppm1=3.360 ppm2=0.760

assign ( resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  ) 4.6 0.9 0.9 volume=0.321 peak=647 ppm1=3.366 ppm2=0.637

assign ( resid 85 and name HA2
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  or resid 59 and name HD1#
  ) 4.3 0.9 0.9 volume=0.495 peak=648 ppm1=4.292 ppm2=0.636

assign ( resid 88 and name HD3
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 4.0 0.8 0.8 volume=0.253 peak=649 ppm1=3.541 ppm2=1.512

assign ( resid 88 and name HD3
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 78 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 104 and name HG3
  or resid 104 and name HG2
  ) 3.6 0.7 0.7 volume=0.463 peak=650 ppm1=3.521 ppm2=1.480

assign ( resid 88 and name HD3
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.5 0.7 0.7 volume=0.597 peak=651 ppm1=3.526 ppm2=1.972

assign ( resid 8 and name HB2
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 2.9 0.6 0.6 volume=1.721 peak=652 ppm1=1.694 ppm2=1.459

assign ( resid 8 and name HB3
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.4 0.7 0.7 volume=2.025 peak=653 ppm1=1.446 ppm2=0.914

assign ( resid 8 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.4 0.7 0.7 volume=2.128 peak=654 ppm1=1.695 ppm2=0.919

assign ( resid 90 and name HB2
  or resid 92 and name HB3
  or resid 92 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 2.9 0.6 0.6 volume=5.103 peak=655 ppm1=1.598 ppm2=0.895

assign ( resid 90 and name HB2
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 97 and name HB3
  )
       ( resid 21 and name HD2#
  or resid 42 and name HG3
  or resid 60 and name HD1#
  or resid 90 and name HD1#
  ) 3.9 0.8 0.8 volume=0.582 peak=656 ppm1=1.578 ppm2=0.748

assign ( resid 8 and name HB3
  or resid 90 and name HB3
  )
       ( resid 21 and name HD2#
  or resid 42 and name HG3
  or resid 60 and name HD1#
  or resid 90 and name HD1#
  ) 4.0 0.8 0.8 volume=0.545 peak=657 ppm1=1.431 ppm2=0.754

assign ( resid 8 and name HB3
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 99 and name HB2
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 2.9 0.6 0.6 volume=1.739 peak=658 ppm1=1.455 ppm2=1.698

assign ( resid 13 and name HE3
  )
       ( resid 9 and name HB
  or resid 10 and name HB3
  or resid 13 and name HD3
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 104 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB2
  ) 3.4 0.7 0.7 volume=0.680 peak=659 ppm1=3.071 ppm2=1.816

assign ( resid 13 and name HE2
  )
       ( resid 5 and name HB2
  or resid 10 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 3.6 0.7 0.7 volume=0.508 peak=660 ppm1=3.176 ppm2=1.932

assign ( resid 13 and name HE3
  )
       ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 2.9 0.6 0.6 volume=1.787 peak=661 ppm1=3.065 ppm2=1.923

assign ( resid 13 and name HE2
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 10 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HD3
  or resid 15 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 104 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB2
  ) 3.8 0.8 0.8 volume=0.361 peak=662 ppm1=3.178 ppm2=1.827

assign ( resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  )
       ( resid 3 and name HG2
  or resid 8 and name HG
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG12
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  or resid 97 and name HB2
  ) 2.3 0.5 0.5 volume=7.606 peak=663 ppm1=2.967 ppm2=1.621

assign ( resid 13 and name HE3
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.2 0.6 0.6 volume=1.051 peak=664 ppm1=3.069 ppm2=1.573

assign ( resid 13 and name HE2
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.0 0.6 0.6 volume=1.563 peak=665 ppm1=3.178 ppm2=1.575

assign ( resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  )
       ( resid 27 and name HB3
  or resid 33 and name HB3
  or resid 34 and name HB3
  or resid 57 and name HB3
  ) 3.3 0.7 0.7 volume=0.837 peak=666 ppm1=2.944 ppm2=2.511

assign ( resid 90 and name HB2
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 97 and name HB3
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 105 and name HA
  or resid 106 and name HA
  ) 2.8 0.6 0.6 volume=2.058 peak=667 ppm1=1.602 ppm2=4.334

assign ( resid 29 and name HE2
  or resid 42 and name HE3
  or resid 64 and name HB2
  )
       ( resid 41 and name HA
  or resid 64 and name HA
  or resid 73 and name HA
  ) 3.6 0.7 0.7 volume=0.482 peak=668 ppm1=2.864 ppm2=5.058

assign ( resid 27 and name HB3
  )
       ( resid 27 and name HN
  or resid 57 and name HD21
  or resid 74 and name HZ3
  or resid 83 and name HN
  ) 3.3 0.7 0.7 volume=0.777 peak=669 ppm1=2.501 ppm2=7.191

assign ( resid 42 and name HE3
  or resid 64 and name HB2
  )
       ( resid 6 and name HE#
  or resid 55 and name HN
  or resid 71 and name HE#
  or resid 74 and name HD1
  or resid 74 and name HH2
  or resid 101 and name HZ
  ) 3.8 0.8 0.8 volume=0.403 peak=670 ppm1=2.876 ppm2=7.291

assign ( resid 71 and name HB3
  )
       ( resid 4 and name HD2
  or resid 14 and name HE22
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 72 and name HD#
  or resid 91 and name HD22
  or resid 95 and name HD21
  or resid 100 and name HD2
  ) 4.1 0.8 0.8 volume=0.257 peak=671 ppm1=2.631 ppm2=6.940

assign ( resid 71 and name HB2
  )
       ( resid 4 and name HD2
  or resid 14 and name HE22
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 72 and name HE#
  or resid 91 and name HD22
  or resid 95 and name HD21
  ) 3.8 0.8 0.8 volume=0.446 peak=672 ppm1=2.854 ppm2=6.931

assign ( resid 29 and name HE3
  or resid 64 and name HB3
  )
       ( resid 4 and name HD2
  or resid 14 and name HE22
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 72 and name HE#
  or resid 95 and name HD21
  ) 3.8 0.8 0.8 volume=0.472 peak=673 ppm1=2.802 ppm2=6.916

assign ( resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 81 and name HE3
  or resid 81 and name HE2
  )
       ( resid 27 and name HN
  or resid 57 and name HD21
  or resid 74 and name HZ3
  or resid 83 and name HN
  or resid 101 and name HD#
  ) 3.3 0.7 0.7 volume=0.990 peak=674 ppm1=2.960 ppm2=7.194

assign ( resid 90 and name HB2
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 97 and name HB3
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 86 and name HN
  or resid 90 and name HN
  ) 3.6 0.7 0.7 volume=0.466 peak=675 ppm1=1.590 ppm2=8.877

assign ( resid 90 and name HB3
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 4.0 0.8 0.8 volume=0.260 peak=676 ppm1=1.404 ppm2=8.887

assign ( resid 8 and name HB3
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  or resid 65 and name HN
  ) 3.8 0.8 0.8 volume=0.333 peak=677 ppm1=1.452 ppm2=8.555

assign ( resid 8 and name HB2
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.8 0.8 0.8 volume=0.357 peak=678 ppm1=1.701 ppm2=8.540

assign ( resid 90 and name HB2
  or resid 92 and name HB3
  or resid 92 and name HB2
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.6 0.7 0.7 volume=0.477 peak=679 ppm1=1.594 ppm2=8.221

assign ( resid 8 and name HB2
  )
       ( resid 8 and name HN
  or resid 28 and name HN
  or resid 52 and name HN
  or resid 64 and name HD21
  ) 3.4 0.7 0.7 volume=0.649 peak=680 ppm1=1.693 ppm2=7.941

assign ( resid 8 and name HB3
  )
       ( resid 8 and name HN
  or resid 28 and name HN
  or resid 52 and name HN
  or resid 64 and name HD21
  ) 3.6 0.7 0.7 volume=0.475 peak=681 ppm1=1.448 ppm2=7.929

assign ( resid 29 and name HE2
  or resid 42 and name HE3
  or resid 64 and name HB2
  )
       ( resid 18 and name HN
  or resid 32 and name HN
  or resid 58 and name HN
  or resid 65 and name HN
  ) 3.6 0.7 0.7 volume=0.507 peak=682 ppm1=2.864 ppm2=8.595

assign ( resid 29 and name HE3
  or resid 64 and name HB3
  )
       ( resid 18 and name HN
  or resid 32 and name HN
  or resid 65 and name HN
  ) 3.9 0.8 0.8 volume=0.321 peak=683 ppm1=2.802 ppm2=8.604

assign ( resid 13 and name HE3
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  or resid 65 and name HN
  ) 3.7 0.7 0.7 volume=0.412 peak=684 ppm1=3.062 ppm2=8.558

assign ( resid 13 and name HE3
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 106 and name HN
  ) 3.9 0.8 0.8 volume=0.314 peak=685 ppm1=3.062 ppm2=8.370

assign ( resid 13 and name HE2
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 21 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 4.0 0.8 0.8 volume=0.270 peak=686 ppm1=3.186 ppm2=8.536

assign ( resid 13 and name HE2
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.8 0.8 0.8 volume=0.341 peak=687 ppm1=3.181 ppm2=8.377

assign ( resid 40 and name HE2
  or resid 72 and name HB2
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 40 and name HG3
  or resid 59 and name HG13
  or resid 83 and name HG2
  ) 3.2 0.6 0.6 volume=1.105 peak=688 ppm1=2.592 ppm2=1.235

assign ( resid 25 and name HE2
  or resid 25 and name HE3
  or resid 42 and name HE2
  or resid 68 and name HB3
  or resid 72 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.9 1.0 1.0 volume=0.244 peak=689 ppm1=2.987 ppm2=0.921

assign ( resid 40 and name HE3
  or resid 69 and name HB2
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 40 and name HG3
  or resid 59 and name HG13
  or resid 83 and name HG2
  ) 3.3 0.7 0.7 volume=1.027 peak=690 ppm1=2.445 ppm2=1.236

assign ( resid 40 and name HE2
  or resid 72 and name HB2
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  ) 3.4 0.7 0.7 volume=0.919 peak=691 ppm1=2.594 ppm2=1.106

assign ( resid 40 and name HE3
  or resid 69 and name HB2
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  ) 3.3 0.7 0.7 volume=1.028 peak=692 ppm1=2.440 ppm2=1.105

assign ( resid 29 and name HE2
  or resid 42 and name HE3
  or resid 64 and name HB2
  )
       ( resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  ) 3.7 0.7 0.7 volume=0.816 peak=693 ppm1=2.875 ppm2=0.792

assign ( resid 29 and name HE2
  or resid 42 and name HE3
  or resid 64 and name HB2
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 3.9 0.8 0.8 volume=0.658 peak=694 ppm1=2.884 ppm2=1.026

assign ( resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  )
       ( resid 22 and name HD1#
  or resid 29 and name HD3
  or resid 40 and name HB3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  ) 3.0 0.6 0.6 volume=1.563 peak=695 ppm1=2.961 ppm2=1.391

assign ( resid 29 and name HE2
  or resid 42 and name HE3
  or resid 64 and name HB2
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 2.9 0.6 0.6 volume=1.698 peak=696 ppm1=2.869 ppm2=1.516

assign ( resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 72 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 2.4 0.5 0.5 volume=6.245 peak=697 ppm1=3.021 ppm2=1.516

assign ( resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 72 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 99 and name HB2
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 2.1 0.3 0.4 volume=13.919 peak=698 ppm1=3.018 ppm2=1.700

assign ( resid 42 and name HE2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 103 and name HB3
  or resid 104 and name HB2
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  ) 2.7 0.5 0.5 volume=2.674 peak=699 ppm1=2.975 ppm2=1.793

assign ( resid 40 and name HE2
  or resid 72 and name HB2
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  ) 2.4 0.5 0.5 volume=5.115 peak=700 ppm1=2.595 ppm2=2.447

assign ( resid 40 and name HE3
  or resid 69 and name HB2
  )
       ( resid 7 and name HB3
  or resid 23 and name HB2
  or resid 40 and name HE2
  or resid 71 and name HB3
  or resid 72 and name HB2
  ) 2.4 0.5 0.5 volume=5.367 peak=701 ppm1=2.440 ppm2=2.602

assign ( resid 69 and name HB2
  )
       ( resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.3 0.7 0.7 volume=0.906 peak=702 ppm1=2.439 ppm2=2.166

assign ( resid 69 and name HB3
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 57 and name HB3
  or resid 69 and name HB2
  ) 3.2 0.6 0.6 volume=0.973 peak=703 ppm1=2.153 ppm2=2.459

assign ( resid 34 and name HB3
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 84 and name HA
  ) 3.6 0.7 0.7 volume=0.464 peak=704 ppm1=2.556 ppm2=4.498

assign ( resid 29 and name HE3
  or resid 64 and name HB3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.7 0.7 0.7 volume=0.423 peak=705 ppm1=2.786 ppm2=4.072

assign ( resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  )
       ( resid 23 and name HA
  or resid 30 and name HA
  or resid 44 and name HA
  or resid 68 and name HA
  ) 3.3 0.7 0.7 volume=0.809 peak=706 ppm1=2.936 ppm2=5.186

assign ( resid 68 and name HB2
  )
       ( resid 23 and name HA
  or resid 30 and name HA
  or resid 44 and name HA
  or resid 68 and name HA
  ) 3.6 0.7 0.7 volume=0.480 peak=707 ppm1=2.688 ppm2=5.186

assign ( resid 69 and name HB2
  )
       ( resid 6 and name HE#
  or resid 55 and name HN
  or resid 71 and name HE#
  or resid 74 and name HD1
  or resid 74 and name HH2
  or resid 101 and name HZ
  ) 4.0 0.8 0.8 volume=0.328 peak=708 ppm1=2.459 ppm2=7.295

assign ( resid 68 and name HB2
  )
       ( resid 68 and name HD22
  or resid 72 and name HD#
  or resid 100 and name HD2
  ) 3.8 0.8 0.8 volume=0.399 peak=709 ppm1=2.676 ppm2=7.012

assign ( resid 68 and name HB2
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 3.7 0.7 0.7 volume=0.404 peak=710 ppm1=2.670 ppm2=8.482

assign ( resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 3.4 0.7 0.7 volume=0.690 peak=711 ppm1=2.952 ppm2=8.486

assign ( resid 34 and name HB3
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 3.9 0.8 0.8 volume=0.290 peak=712 ppm1=2.524 ppm2=8.482

assign ( resid 69 and name HB2
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 3.5 0.7 0.7 volume=0.537 peak=713 ppm1=2.460 ppm2=8.479

assign ( resid 69 and name HB3
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 3.9 0.8 0.8 volume=0.315 peak=714 ppm1=2.173 ppm2=8.481

assign ( resid 34 and name HB3
  or resid 40 and name HE2
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 3.8 0.8 0.8 volume=0.330 peak=715 ppm1=2.558 ppm2=8.467

assign ( resid 34 and name HB2
  or resid 42 and name HE2
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 72 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  )
       ( resid 25 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 63 and name HN
  or resid 67 and name HN
  or resid 81 and name HN
  ) 3.9 0.8 0.8 volume=0.303 peak=716 ppm1=3.016 ppm2=8.449

assign ( resid 69 and name HB3
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 4.0 0.8 0.8 volume=0.254 peak=717 ppm1=2.186 ppm2=8.231

assign ( resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  )
       ( resid 6 and name HN
  or resid 45 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  ) 3.6 0.7 0.7 volume=0.485 peak=718 ppm1=2.965 ppm2=8.181

assign ( resid 68 and name HB2
  )
       ( resid 6 and name HN
  or resid 45 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 75 and name HN
  or resid 92 and name HN
  ) 3.8 0.8 0.8 volume=0.372 peak=719 ppm1=2.690 ppm2=8.172

assign ( resid 25 and name HE2
  or resid 25 and name HE3
  or resid 42 and name HE2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 72 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  )
       ( resid 18 and name HE21
  or resid 68 and name HD21
  or resid 80 and name HN
  or resid 107 and name HN
  ) 3.8 0.8 0.8 volume=0.339 peak=720 ppm1=2.985 ppm2=7.739

assign ( resid 68 and name HB2
  )
       ( resid 18 and name HE21
  or resid 68 and name HD21
  or resid 80 and name HN
  or resid 107 and name HN
  ) 3.5 0.7 0.7 volume=0.610 peak=721 ppm1=2.671 ppm2=7.715

assign ( resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  )
       ( resid 18 and name HE21
  or resid 68 and name HD21
  or resid 80 and name HN
  or resid 107 and name HN
  ) 3.6 0.7 0.7 volume=0.470 peak=722 ppm1=2.948 ppm2=7.717

assign ( resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  )
       ( resid 68 and name HD22
  or resid 72 and name HD#
  or resid 100 and name HD2
  ) 4.0 0.8 0.8 volume=0.323 peak=723 ppm1=2.939 ppm2=7.013

assign ( resid 68 and name HB3
  )
       ( resid 68 and name HD22
  or resid 72 and name HD#
  or resid 91 and name HD22
  or resid 100 and name HD2
  ) 3.9 0.8 0.8 volume=0.358 peak=724 ppm1=2.980 ppm2=6.991

assign ( resid 7 and name HB3
  or resid 7 and name HB2
  or resid 98 and name HB3
  or resid 98 and name HB2
  )
       ( resid 7 and name HN
  or resid 16 and name HN
  or resid 26 and name HN
  or resid 70 and name HN
  or resid 91 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  or resid 105 and name HN
  ) 3.7 0.7 0.7 volume=0.446 peak=725 ppm1=2.644 ppm2=8.279

assign ( resid 7 and name HB3
  or resid 7 and name HB2
  or resid 98 and name HB3
  or resid 98 and name HB2
  )
       ( resid 8 and name HN
  or resid 28 and name HN
  or resid 52 and name HN
  or resid 64 and name HD21
  ) 3.5 0.7 0.7 volume=0.570 peak=726 ppm1=2.638 ppm2=7.936

assign ( resid 7 and name HB3
  )
       ( resid 8 and name HN
  or resid 28 and name HN
  or resid 52 and name HN
  or resid 64 and name HD21
  ) 3.6 0.7 0.7 volume=0.474 peak=727 ppm1=2.596 ppm2=7.945

assign ( resid 51 and name HB2
  )
       ( resid 6 and name HE#
  or resid 51 and name HN
  or resid 51 and name HD#
  or resid 55 and name HN
  or resid 62 and name HD21
  or resid 101 and name HE#
  or resid 101 and name HZ
  ) 3.0 0.6 0.6 volume=1.850 peak=728 ppm1=3.211 ppm2=7.338

assign ( resid 51 and name HB3
  )
       ( resid 6 and name HE#
  or resid 51 and name HN
  or resid 51 and name HD#
  or resid 55 and name HN
  or resid 62 and name HD21
  or resid 101 and name HE#
  or resid 101 and name HZ
  ) 3.0 0.6 0.6 volume=1.870 peak=729 ppm1=3.125 ppm2=7.340

assign ( resid 7 and name HB2
  or resid 98 and name HB3
  or resid 98 and name HB2
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 2.8 0.6 0.6 volume=2.342 peak=730 ppm1=2.667 ppm2=4.567

assign ( resid 7 and name HB2
  or resid 98 and name HB3
  or resid 98 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.3 0.9 0.9 volume=0.501 peak=731 ppm1=2.671 ppm2=0.908

assign ( resid 7 and name HB2
  or resid 98 and name HB3
  or resid 98 and name HB2
  )
       ( resid 8 and name HG
  or resid 15 and name HG3
  or resid 25 and name HG2
  or resid 32 and name HG12
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 79 and name HB3
  or resid 82 and name HB3
  or resid 83 and name HB3
  or resid 92 and name HG
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  or resid 97 and name HB2
  or resid 99 and name HB3
  ) 3.6 0.7 0.7 volume=0.519 peak=732 ppm1=2.647 ppm2=1.633

assign ( resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  )
       ( resid 29 and name HN
  or resid 44 and name HN
  or resid 74 and name HZ2
  or resid 84 and name HN
  or resid 91 and name HD21
  or resid 95 and name HD22
  ) 3.5 0.7 0.7 volume=0.629 peak=733 ppm1=2.673 ppm2=7.571

assign ( resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  ) 4.0 0.8 0.8 volume=0.260 peak=734 ppm1=2.667 ppm2=4.477

assign ( resid 84 and name HB2
  or resid 84 and name HB3
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  or resid 59 and name HD1#
  ) 4.0 0.8 0.8 volume=0.806 peak=735 ppm1=2.677 ppm2=0.633

assign ( resid 82 and name HB2
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.4 0.7 0.7 volume=0.679 peak=736 ppm1=1.855 ppm2=1.597

assign ( resid 9 and name HB
  )
       ( resid 8 and name HD2#
  or resid 9 and name HG2#
  or resid 9 and name HD1#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD1#
  or resid 97 and name HD2#
  or resid 107 and name HG1#
  ) 3.3 0.7 0.7 volume=2.418 peak=737 ppm1=1.769 ppm2=0.871

assign ( resid 82 and name HB3
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  or resid 103 and name HB2
  or resid 104 and name HB2
  or resid 106 and name HB2
  ) 3.5 0.7 0.7 volume=0.617 peak=738 ppm1=1.590 ppm2=1.867

assign ( resid 82 and name HB3
  )
       ( resid 6 and name HB2
  or resid 26 and name HB2
  or resid 33 and name HB2
  or resid 36 and name HB3
  or resid 41 and name HD2
  or resid 41 and name HD3
  or resid 82 and name HA
  ) 3.6 0.7 0.7 volume=0.471 peak=739 ppm1=1.580 ppm2=3.277

assign ( resid 82 and name HB2
  )
       ( resid 6 and name HB2
  or resid 26 and name HB2
  or resid 33 and name HB2
  or resid 46 and name HB2
  or resid 82 and name HA
  ) 3.5 0.7 0.7 volume=0.567 peak=740 ppm1=1.848 ppm2=3.259

assign ( resid 82 and name HB3
  )
       ( resid 82 and name HN
  ) 3.8 0.8 0.8 volume=0.343 peak=741 ppm1=1.594 ppm2=9.259

assign ( resid 82 and name HB2
  )
       ( resid 82 and name HN
  ) 3.9 0.8 0.8 volume=0.312 peak=742 ppm1=1.852 ppm2=9.242

assign ( resid 9 and name HB
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.5 0.7 0.7 volume=0.548 peak=743 ppm1=1.775 ppm2=8.541

assign ( resid 9 and name HB
  )
       ( resid 7 and name HN
  or resid 10 and name HN
  or resid 26 and name HN
  or resid 105 and name HN
  ) 3.6 0.7 0.7 volume=0.466 peak=744 ppm1=1.771 ppm2=8.324

assign ( resid 6 and name HB3
  or resid 101 and name HB3
  )
       ( resid 6 and name HD#
  or resid 51 and name HE#
  or resid 57 and name HD21
  or resid 71 and name HE#
  or resid 74 and name HZ3
  or resid 74 and name HD1
  or resid 83 and name HN
  or resid 101 and name HD#
  ) 3.1 0.6 0.6 volume=1.606 peak=745 ppm1=3.016 ppm2=7.239

assign ( resid 6 and name HB3
  )
       ( resid 6 and name HD#
  or resid 51 and name HE#
  or resid 57 and name HD21
  or resid 71 and name HE#
  or resid 74 and name HZ3
  or resid 74 and name HD1
  or resid 74 and name HH2
  or resid 101 and name HD#
  ) 3.3 0.7 0.7 volume=1.151 peak=746 ppm1=2.976 ppm2=7.243

assign ( resid 101 and name HB2
  )
       ( resid 6 and name HD#
  or resid 51 and name HE#
  or resid 57 and name HD21
  or resid 71 and name HE#
  or resid 74 and name HZ3
  or resid 74 and name HD1
  or resid 83 and name HN
  or resid 101 and name HD#
  ) 3.2 0.6 0.6 volume=1.316 peak=747 ppm1=3.122 ppm2=7.241

assign ( resid 6 and name HB2
  )
       ( resid 6 and name HD#
  or resid 51 and name HE#
  or resid 71 and name HE#
  or resid 74 and name HZ3
  or resid 74 and name HD1
  or resid 74 and name HH2
  or resid 101 and name HD#
  ) 3.3 0.7 0.7 volume=1.090 peak=748 ppm1=3.231 ppm2=7.247

assign ( resid 101 and name HB3
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 69 and name HA
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.0 0.6 0.6 volume=1.422 peak=749 ppm1=3.019 ppm2=4.565

assign ( resid 101 and name HB2
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.0 0.6 0.6 volume=1.595 peak=750 ppm1=3.124 ppm2=4.560

assign ( resid 9 and name HB
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 56 and name HA
  or resid 59 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.6 0.7 0.7 volume=0.522 peak=751 ppm1=1.768 ppm2=4.313

assign ( resid 9 and name HB
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 78 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.3 0.7 0.7 volume=0.861 peak=752 ppm1=1.778 ppm2=1.477

assign ( resid 9 and name HB
  )
       ( resid 9 and name HG13
  or resid 37 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HG2
  or resid 42 and name HG2
  ) 3.6 0.7 0.7 volume=0.558 peak=753 ppm1=1.772 ppm2=1.130

assign ( resid 6 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 8 and name HD2#
  or resid 9 and name HG2#
  or resid 9 and name HD1#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD1#
  or resid 97 and name HD2#
  or resid 107 and name HG1#
  ) 4.6 0.9 0.9 volume=0.332 peak=754 ppm1=3.228 ppm2=0.875

assign ( resid 6 and name HB3
  or resid 101 and name HB3
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.4 0.9 0.9 volume=0.430 peak=755 ppm1=3.006 ppm2=0.902

assign ( resid 101 and name HB3
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 79 and name HG
  or resid 83 and name HB3
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 3.6 0.7 0.7 volume=0.468 peak=756 ppm1=3.020 ppm2=1.709

assign ( resid 48 and name HB3
  or resid 57 and name HB2
  )
       ( resid 27 and name HB3
  or resid 33 and name HB3
  or resid 34 and name HB3
  or resid 57 and name HB3
  ) 3.1 0.6 0.6 volume=1.106 peak=757 ppm1=2.864 ppm2=2.504

assign ( resid 57 and name HB3
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  ) 3.2 0.6 0.6 volume=1.016 peak=758 ppm1=2.493 ppm2=2.864

assign ( resid 48 and name HB2
  or resid 62 and name HB3
  or resid 62 and name HB2
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  ) 4.0 0.8 0.8 volume=0.260 peak=759 ppm1=3.015 ppm2=4.474

assign ( resid 48 and name HB3
  or resid 57 and name HB2
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  ) 3.1 0.6 0.6 volume=1.257 peak=760 ppm1=2.876 ppm2=4.479

assign ( resid 48 and name HB2
  or resid 62 and name HB3
  or resid 62 and name HB2
  )
       ( resid 49 and name HN
  ) 3.9 0.8 0.8 volume=0.283 peak=761 ppm1=3.013 ppm2=9.171

assign ( resid 48 and name HB3
  or resid 57 and name HB2
  )
       ( resid 49 and name HN
  ) 3.6 0.7 0.7 volume=0.461 peak=762 ppm1=2.878 ppm2=9.164

assign ( resid 48 and name HB3
  or resid 57 and name HB2
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.7 0.7 0.7 volume=0.386 peak=763 ppm1=2.858 ppm2=8.551

assign ( resid 48 and name HB2
  or resid 62 and name HB3
  or resid 62 and name HB2
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.3 0.7 0.7 volume=0.900 peak=764 ppm1=3.016 ppm2=8.389

assign ( resid 48 and name HB3
  or resid 57 and name HB2
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.4 0.7 0.7 volume=0.674 peak=765 ppm1=2.883 ppm2=8.390

assign ( resid 48 and name HB2
  or resid 62 and name HB3
  or resid 62 and name HB2
  )
       ( resid 4 and name HE1
  or resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 100 and name HE1
  ) 3.6 0.7 0.7 volume=0.507 peak=766 ppm1=3.032 ppm2=7.846

assign ( resid 48 and name HB2
  or resid 62 and name HB3
  or resid 62 and name HB2
  )
       ( resid 4 and name HE1
  or resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 100 and name HE1
  ) 3.4 0.7 0.7 volume=0.638 peak=767 ppm1=2.993 ppm2=7.848

assign ( resid 48 and name HB3
  or resid 57 and name HB2
  )
       ( resid 27 and name HN
  or resid 57 and name HD21
  or resid 74 and name HZ3
  or resid 83 and name HN
  or resid 101 and name HD#
  ) 3.8 0.8 0.8 volume=0.420 peak=768 ppm1=2.855 ppm2=7.193

assign ( resid 57 and name HB3
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  or resid 65 and name HN
  ) 3.8 0.8 0.8 volume=0.333 peak=769 ppm1=2.498 ppm2=8.559

assign ( resid 57 and name HB2
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  ) 3.9 0.8 0.8 volume=0.309 peak=770 ppm1=2.846 ppm2=7.656

assign ( resid 57 and name HB3
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  ) 4.0 0.8 0.8 volume=0.274 peak=771 ppm1=2.486 ppm2=7.663

assign ( resid 57 and name HB3
  )
       ( resid 27 and name HN
  or resid 51 and name HE#
  or resid 57 and name HD21
  or resid 74 and name HZ3
  or resid 83 and name HN
  or resid 101 and name HD#
  ) 4.0 0.8 0.8 volume=0.303 peak=772 ppm1=2.494 ppm2=7.200

assign ( resid 48 and name HB2
  or resid 62 and name HB3
  or resid 62 and name HB2
  )
       ( resid 6 and name HE#
  or resid 51 and name HN
  or resid 51 and name HD#
  or resid 55 and name HN
  or resid 62 and name HD21
  or resid 101 and name HE#
  ) 3.8 0.8 0.8 volume=0.472 peak=773 ppm1=2.990 ppm2=7.358

assign ( resid 48 and name HB2
  or resid 62 and name HB3
  or resid 62 and name HB2
  )
       ( resid 62 and name HD22
  ) 3.4 0.7 0.7 volume=0.677 peak=774 ppm1=3.005 ppm2=6.758

assign ( resid 57 and name HB3
  )
       ( resid 57 and name HD22
  ) 3.9 0.8 0.8 volume=0.286 peak=775 ppm1=2.486 ppm2=6.629

assign ( resid 48 and name HB3
  or resid 57 and name HB2
  )
       ( resid 57 and name HD22
  ) 3.8 0.8 0.8 volume=0.354 peak=776 ppm1=2.849 ppm2=6.620

assign ( resid 59 and name HB
  )
       ( resid 9 and name HA
  or resid 14 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 106 and name HA
  ) 3.6 0.7 0.7 volume=0.477 peak=777 ppm1=1.952 ppm2=4.339

assign ( resid 48 and name HB2
  or resid 62 and name HB3
  or resid 62 and name HB2
  )
       ( resid 5 and name HB2
  or resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 3.8 0.8 0.8 volume=0.367 peak=778 ppm1=3.023 ppm2=1.940

assign ( resid 48 and name HB3
  or resid 57 and name HB2
  )
       ( resid 5 and name HB2
  or resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 4.0 0.8 0.8 volume=0.274 peak=779 ppm1=2.876 ppm2=1.941

assign ( resid 59 and name HB
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 78 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 4.0 0.8 0.8 volume=0.258 peak=780 ppm1=1.965 ppm2=1.494

assign ( resid 59 and name HB
  )
       ( resid 12 and name HG
  or resid 22 and name HD1#
  or resid 40 and name HB3
  or resid 55 and name HB#
  or resid 59 and name HG12
  ) 4.1 0.8 0.8 volume=0.309 peak=781 ppm1=1.958 ppm2=1.337

assign ( resid 59 and name HB
  )
       ( resid 21 and name HB3
  or resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  ) 3.6 0.7 0.7 volume=0.712 peak=782 ppm1=1.957 ppm2=1.073

assign ( resid 59 and name HB
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.9 1.0 1.0 volume=0.247 peak=783 ppm1=1.966 ppm2=0.909

assign ( resid 59 and name HB
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 59 and name HD1#
  ) 4.3 0.9 0.9 volume=0.503 peak=784 ppm1=1.958 ppm2=0.590

assign ( resid 57 and name HB2
  or resid 95 and name HB2
  )
       ( resid 3 and name HG2
  or resid 8 and name HG
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  or resid 97 and name HB2
  ) 3.9 0.8 0.8 volume=0.307 peak=785 ppm1=2.841 ppm2=1.612

assign ( resid 91 and name HB2
  or resid 95 and name HB3
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.7 0.7 0.7 volume=0.388 peak=786 ppm1=2.793 ppm2=1.597

assign ( resid 48 and name HB2
  or resid 62 and name HB3
  or resid 62 and name HB2
  )
       ( resid 8 and name HB2
  or resid 12 and name HB3
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 104 and name HB3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  or resid 106 and name HB3
  ) 3.7 0.7 0.7 volume=0.392 peak=787 ppm1=3.018 ppm2=1.715

assign ( resid 48 and name HB2
  or resid 62 and name HB3
  or resid 62 and name HB2
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.9 0.8 0.8 volume=0.316 peak=788 ppm1=2.997 ppm2=1.588

assign ( resid 48 and name HB2
  or resid 62 and name HB3
  or resid 62 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.6 0.9 0.9 volume=0.357 peak=789 ppm1=3.007 ppm2=0.894

assign ( resid 48 and name HB3
  or resid 57 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.9 1.0 1.0 volume=0.229 peak=790 ppm1=2.868 ppm2=0.897

assign ( resid 57 and name HB2
  or resid 95 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.3 0.9 0.9 volume=0.502 peak=791 ppm1=2.832 ppm2=0.894

assign ( resid 91 and name HB2
  or resid 95 and name HB3
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.1 0.8 0.8 volume=0.636 peak=792 ppm1=2.781 ppm2=0.888

assign ( resid 91 and name HB2
  or resid 95 and name HB3
  )
       ( resid 8 and name HD2#
  or resid 9 and name HG2#
  or resid 9 and name HD1#
  or resid 63 and name HD2#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  ) 4.2 0.8 0.8 volume=0.621 peak=793 ppm1=2.780 ppm2=0.849

assign ( resid 91 and name HB3
  )
       ( resid 8 and name HD2#
  or resid 9 and name HG2#
  or resid 9 and name HD1#
  or resid 63 and name HD2#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  ) 4.4 0.9 0.9 volume=0.473 peak=794 ppm1=2.701 ppm2=0.850

assign ( resid 48 and name HB3
  or resid 57 and name HB2
  )
       ( resid 4 and name HE1
  or resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 100 and name HE1
  ) 3.9 0.8 0.8 volume=0.316 peak=795 ppm1=2.876 ppm2=7.855

assign ( resid 60 and name HB
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.5 0.7 0.7 volume=0.564 peak=796 ppm1=2.138 ppm2=8.890

assign ( resid 60 and name HB
  )
       ( resid 6 and name HN
  or resid 45 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  ) 3.8 0.8 0.8 volume=0.349 peak=797 ppm1=2.134 ppm2=8.180

assign ( resid 36 and name HB3
  )
       ( resid 27 and name HN
  or resid 36 and name HD#
  ) 3.7 0.7 0.7 volume=0.596 peak=798 ppm1=3.322 ppm2=7.154

assign ( resid 36 and name HB2
  )
       ( resid 27 and name HN
  or resid 36 and name HD#
  or resid 83 and name HN
  ) 3.7 0.7 0.7 volume=0.467 peak=799 ppm1=2.730 ppm2=7.164

assign ( resid 36 and name HB3
  )
       ( resid 10 and name HA
  or resid 36 and name HA
  or resid 46 and name HA
  ) 4.0 0.8 0.8 volume=0.275 peak=800 ppm1=3.315 ppm2=4.932

assign ( resid 36 and name HB2
  )
       ( resid 10 and name HA
  or resid 36 and name HA
  or resid 46 and name HA
  ) 3.8 0.8 0.8 volume=0.370 peak=801 ppm1=2.748 ppm2=4.949

assign ( resid 12 and name HB3
  )
       ( resid 12 and name HA
  or resid 28 and name HA2
  ) 3.9 0.8 0.8 volume=0.293 peak=802 ppm1=1.751 ppm2=3.768

assign ( resid 12 and name HB2
  )
       ( resid 12 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 4.0 0.8 0.8 volume=0.252 peak=803 ppm1=2.058 ppm2=3.751

assign ( resid 36 and name HB2
  )
       ( resid 36 and name HB3
  or resid 41 and name HD2
  or resid 41 and name HD3
  or resid 58 and name HB3
  or resid 74 and name HB3
  ) 3.2 0.6 0.6 volume=0.973 peak=804 ppm1=2.727 ppm2=3.323

assign ( resid 36 and name HB3
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 91 and name HB3
  ) 3.1 0.6 0.6 volume=1.122 peak=805 ppm1=3.317 ppm2=2.739

assign ( resid 12 and name HB2
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.3 0.7 0.7 volume=0.826 peak=806 ppm1=2.068 ppm2=1.761

assign ( resid 12 and name HB3
  )
       ( resid 12 and name HB2
  or resid 18 and name HB2
  or resid 25 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 3.2 0.6 0.6 volume=0.944 peak=807 ppm1=1.763 ppm2=2.061

assign ( resid 12 and name HB2
  )
       ( resid 12 and name HG
  or resid 55 and name HB#
  or resid 59 and name HG12
  or resid 83 and name HG3
  ) 3.9 0.8 0.8 volume=0.393 peak=808 ppm1=2.060 ppm2=1.313

assign ( resid 12 and name HB3
  )
       ( resid 12 and name HG
  or resid 55 and name HB#
  or resid 59 and name HG12
  or resid 83 and name HG3
  ) 4.1 0.8 0.8 volume=0.273 peak=809 ppm1=1.749 ppm2=1.320

assign ( resid 12 and name HB3
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  or resid 59 and name HD1#
  ) 4.3 0.9 0.9 volume=0.484 peak=810 ppm1=1.757 ppm2=0.636

assign ( resid 12 and name HB2
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  ) 4.2 0.8 0.8 volume=0.599 peak=811 ppm1=2.051 ppm2=0.637

assign ( resid 60 and name HB
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 4.1 0.8 0.8 volume=0.481 peak=812 ppm1=2.141 ppm2=1.033

assign ( resid 12 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.9 0.8 0.8 volume=0.919 peak=813 ppm1=2.047 ppm2=0.892

assign ( resid 60 and name HB
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.0 0.8 0.8 volume=0.831 peak=814 ppm1=2.119 ppm2=0.898

assign ( resid 12 and name HB3
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.2 0.8 0.8 volume=0.569 peak=815 ppm1=1.744 ppm2=0.892

assign ( resid 60 and name HB
  )
       ( resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  or resid 90 and name HD1#
  ) 4.1 0.8 0.8 volume=0.484 peak=816 ppm1=2.123 ppm2=0.784

assign ( resid 89 and name HB
  )
       ( resid 11 and name HN
  or resid 36 and name HN
  or resid 89 and name HN
  ) 3.7 0.7 0.7 volume=0.449 peak=817 ppm1=1.953 ppm2=8.748

assign ( resid 89 and name HB
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 3.7 0.7 0.7 volume=0.399 peak=818 ppm1=1.954 ppm2=1.777

assign ( resid 89 and name HB
  )
       ( resid 29 and name HD3
  or resid 44 and name HG3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.6 0.7 0.7 volume=0.490 peak=819 ppm1=1.937 ppm2=1.415

assign ( resid 89 and name HB
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.6 0.7 0.7 volume=1.510 peak=820 ppm1=1.947 ppm2=0.921

assign ( resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.3 0.7 0.7 volume=2.438 peak=821 ppm1=2.352 ppm2=0.919

assign ( resid 24 and name HG2
  or resid 24 and name HG3
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 78 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  or resid 107 and name HB
  ) 3.2 0.6 0.6 volume=1.053 peak=822 ppm1=2.385 ppm2=2.115

assign ( resid 47 and name HG3
  or resid 47 and name HG2
  )
       ( resid 12 and name HB2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 3.0 0.6 0.6 volume=1.487 peak=823 ppm1=2.337 ppm2=2.074

assign ( resid 102 and name HG2
  or resid 102 and name HG3
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 2.3 0.5 0.5 volume=6.847 peak=824 ppm1=2.208 ppm2=1.998

assign ( resid 102 and name HG2
  or resid 102 and name HG3
  )
       ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 2.5 0.5 0.5 volume=4.252 peak=825 ppm1=2.205 ppm2=1.924

assign ( resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.0 0.6 0.6 volume=1.367 peak=826 ppm1=2.343 ppm2=4.080

assign ( resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  )
       ( resid 24 and name HN
  or resid 40 and name HN
  ) 3.2 0.6 0.6 volume=0.937 peak=827 ppm1=2.372 ppm2=9.010

assign ( resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  )
       ( resid 47 and name HN
  or resid 86 and name HN
  ) 3.3 0.7 0.7 volume=0.857 peak=828 ppm1=2.347 ppm2=8.813

assign ( resid 24 and name HG2
  or resid 24 and name HG3
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 81 and name HN
  or resid 106 and name HN
  ) 3.5 0.7 0.7 volume=0.573 peak=829 ppm1=2.383 ppm2=8.413

assign ( resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.3 0.7 0.7 volume=0.797 peak=830 ppm1=2.348 ppm2=8.402

assign ( resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  )
       ( resid 6 and name HN
  or resid 16 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.7 0.7 0.7 volume=0.388 peak=831 ppm1=2.366 ppm2=8.223

assign ( resid 47 and name HG3
  or resid 47 and name HG2
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.8 0.8 0.8 volume=0.350 peak=832 ppm1=2.332 ppm2=8.226

assign ( resid 47 and name HG3
  or resid 47 and name HG2
  )
       ( resid 4 and name HE1
  or resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 100 and name HE1
  ) 4.0 0.8 0.8 volume=0.248 peak=833 ppm1=2.342 ppm2=7.854

assign ( resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  )
       ( resid 6 and name HE#
  or resid 51 and name HN
  or resid 51 and name HD#
  or resid 55 and name HN
  or resid 62 and name HD21
  or resid 101 and name HE#
  or resid 101 and name HZ
  ) 3.9 0.8 0.8 volume=0.405 peak=834 ppm1=2.355 ppm2=7.334

assign ( resid 102 and name HG2
  or resid 102 and name HG3
  )
       ( resid 3 and name HA
  or resid 5 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 32 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.3 0.7 0.7 volume=0.885 peak=835 ppm1=2.209 ppm2=4.239

assign ( resid 24 and name HG2
  or resid 24 and name HG3
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  or resid 106 and name HB3
  ) 3.6 0.7 0.7 volume=0.495 peak=836 ppm1=2.377 ppm2=1.712

assign ( resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 60 and name HG12
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.9 0.8 0.8 volume=0.310 peak=837 ppm1=2.356 ppm2=1.521

assign ( resid 40 and name HB2
  )
       ( resid 22 and name HD1#
  or resid 29 and name HD3
  or resid 40 and name HB3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  ) 3.8 0.8 0.8 volume=0.389 peak=838 ppm1=2.046 ppm2=1.389

assign ( resid 40 and name HB2
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 40 and name HG3
  or resid 59 and name HG13
  or resid 83 and name HG2
  ) 3.8 0.8 0.8 volume=0.397 peak=839 ppm1=2.054 ppm2=1.219

assign ( resid 40 and name HB3
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 40 and name HG3
  or resid 59 and name HG13
  or resid 83 and name HG2
  ) 3.9 0.8 0.8 volume=0.375 peak=840 ppm1=1.368 ppm2=1.237

assign ( resid 40 and name HB3
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  ) 4.2 0.8 0.8 volume=0.259 peak=841 ppm1=1.374 ppm2=1.102

assign ( resid 32 and name HB
  )
       ( resid 18 and name HN
  or resid 32 and name HN
  or resid 65 and name HN
  ) 3.9 0.8 0.8 volume=0.321 peak=842 ppm1=3.106 ppm2=8.627

assign ( resid 32 and name HB
  )
       ( resid 14 and name HE21
  or resid 18 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 68 and name HD21
  ) 3.6 0.7 0.7 volume=0.477 peak=843 ppm1=3.140 ppm2=7.685

assign ( resid 10 and name HB2
  )
       ( resid 11 and name HN
  or resid 89 and name HN
  ) 4.0 0.8 0.8 volume=0.266 peak=844 ppm1=1.964 ppm2=8.757

assign ( resid 10 and name HB2
  )
       ( resid 7 and name HN
  or resid 10 and name HN
  or resid 26 and name HN
  or resid 105 and name HN
  ) 3.8 0.8 0.8 volume=0.350 peak=845 ppm1=1.963 ppm2=8.324

assign ( resid 10 and name HB3
  )
       ( resid 7 and name HN
  or resid 10 and name HN
  or resid 26 and name HN
  or resid 105 and name HN
  ) 3.5 0.7 0.7 volume=0.591 peak=846 ppm1=1.809 ppm2=8.319

assign ( resid 75 and name HG3
  or resid 75 and name HG2
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.7 0.7 0.7 volume=0.446 peak=847 ppm1=2.385 ppm2=8.124

assign ( resid 75 and name HG3
  or resid 75 and name HG2
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 28 and name HA1
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  ) 4.0 0.8 0.8 volume=0.263 peak=848 ppm1=2.400 ppm2=4.403

assign ( resid 10 and name HB2
  )
       ( resid 10 and name HA
  or resid 36 and name HA
  or resid 46 and name HA
  ) 3.9 0.8 0.8 volume=0.300 peak=849 ppm1=1.972 ppm2=4.943

assign ( resid 10 and name HB3
  )
       ( resid 10 and name HA
  or resid 36 and name HA
  or resid 46 and name HA
  ) 4.0 0.8 0.8 volume=0.259 peak=850 ppm1=1.808 ppm2=4.953

assign ( resid 10 and name HB2
  )
       ( resid 10 and name HG3
  or resid 34 and name HB3
  or resid 40 and name HE2
  ) 3.7 0.7 0.7 volume=0.388 peak=851 ppm1=1.972 ppm2=2.555

assign ( resid 10 and name HB3
  )
       ( resid 10 and name HG3
  or resid 34 and name HB3
  or resid 40 and name HE2
  ) 3.9 0.8 0.8 volume=0.320 peak=852 ppm1=1.808 ppm2=2.563

assign ( resid 10 and name HB2
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 3.7 0.7 0.7 volume=0.388 peak=853 ppm1=1.958 ppm2=2.439

assign ( resid 10 and name HB2
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 4.1 0.8 0.8 volume=0.243 peak=854 ppm1=1.964 ppm2=2.138

assign ( resid 10 and name HB3
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.7 0.7 0.7 volume=0.421 peak=855 ppm1=1.820 ppm2=2.136

assign ( resid 10 and name HB3
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 4.1 0.8 0.8 volume=0.218 peak=856 ppm1=1.816 ppm2=2.442

assign ( resid 10 and name HB3
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.2 0.6 0.6 volume=1.069 peak=857 ppm1=1.816 ppm2=1.972

assign ( resid 10 and name HB2
  )
       ( resid 9 and name HB
  or resid 10 and name HB3
  or resid 13 and name HD3
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 104 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB2
  ) 3.0 0.6 0.6 volume=1.369 peak=858 ppm1=1.975 ppm2=1.815

assign ( resid 10 and name HB2
  )
       ( resid 12 and name HG
  or resid 55 and name HB#
  or resid 59 and name HG12
  or resid 83 and name HG3
  ) 4.2 0.8 0.8 volume=0.241 peak=859 ppm1=1.989 ppm2=1.320

assign ( resid 75 and name HG3
  or resid 75 and name HG2
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 59 and name HG13
  or resid 83 and name HG2
  ) 4.0 0.8 0.8 volume=0.335 peak=860 ppm1=2.379 ppm2=1.251

assign ( resid 75 and name HG3
  or resid 75 and name HG2
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 59 and name HG13
  or resid 83 and name HG3
  ) 4.0 0.8 0.8 volume=0.331 peak=861 ppm1=2.408 ppm2=1.255

assign ( resid 32 and name HB
  )
       ( resid 8 and name HG
  or resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 78 and name HB2
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 97 and name HB2
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 4.0 0.8 0.8 volume=0.257 peak=862 ppm1=3.119 ppm2=1.675

assign ( resid 32 and name HB
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 4.0 0.8 0.8 volume=0.266 peak=863 ppm1=3.120 ppm2=1.565

assign ( resid 32 and name HB
  )
       ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 63 and name HD1#
  or resid 65 and name HG2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HG2#
  or resid 107 and name HG2#
  ) 3.9 0.8 0.8 volume=0.855 peak=864 ppm1=3.117 ppm2=0.949

assign ( resid 10 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.2 0.8 0.8 volume=0.606 peak=865 ppm1=1.977 ppm2=0.889

assign ( resid 10 and name HB3
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.2 0.8 0.8 volume=0.595 peak=866 ppm1=1.811 ppm2=0.892

assign ( resid 10 and name HB2
  )
       ( resid 12 and name HD1#
  or resid 45 and name HG1#
  ) 4.4 0.9 0.9 volume=0.425 peak=867 ppm1=1.971 ppm2=0.639

assign ( resid 10 and name HB3
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  or resid 59 and name HD1#
  ) 4.5 0.9 0.9 volume=0.369 peak=868 ppm1=1.825 ppm2=0.628

assign ( resid 67 and name HB
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 2.9 0.6 0.6 volume=5.093 peak=869 ppm1=2.168 ppm2=0.921

assign ( resid 41 and name HB2
  )
       ( resid 26 and name HB2
  or resid 33 and name HB2
  or resid 36 and name HB3
  or resid 41 and name HD2
  or resid 41 and name HD3
  or resid 74 and name HB3
  ) 3.8 0.8 0.8 volume=0.379 peak=870 ppm1=1.933 ppm2=3.305

assign ( resid 67 and name HB
  )
       ( resid 6 and name HN
  or resid 45 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  ) 3.3 0.7 0.7 volume=0.791 peak=871 ppm1=2.171 ppm2=8.179

assign ( resid 67 and name HB
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 3.7 0.7 0.7 volume=0.421 peak=872 ppm1=2.180 ppm2=8.479

assign ( resid 41 and name HB3
  or resid 41 and name HB2
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  ) 3.8 0.8 0.8 volume=0.353 peak=873 ppm1=1.917 ppm2=7.648

assign ( resid 41 and name HB2
  )
       ( resid 68 and name HD22
  or resid 72 and name HD#
  or resid 91 and name HD22
  or resid 100 and name HD2
  ) 4.0 0.8 0.8 volume=0.302 peak=874 ppm1=1.928 ppm2=6.985

assign ( resid 41 and name HB2
  )
       ( resid 41 and name HA
  or resid 64 and name HA
  or resid 73 and name HA
  or resid 87 and name HA
  ) 3.7 0.7 0.7 volume=0.394 peak=875 ppm1=1.923 ppm2=5.088

assign ( resid 41 and name HB3
  or resid 41 and name HB2
  )
       ( resid 41 and name HA
  or resid 64 and name HA
  or resid 73 and name HA
  or resid 87 and name HA
  ) 4.0 0.8 0.8 volume=0.247 peak=876 ppm1=1.895 ppm2=5.077

assign ( resid 67 and name HB
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 28 and name HA1
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  ) 2.9 0.6 0.6 volume=1.701 peak=877 ppm1=2.170 ppm2=4.408

assign ( resid 29 and name HB3
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.4 0.7 0.7 volume=0.652 peak=878 ppm1=1.033 ppm2=1.589

assign ( resid 29 and name HB2
  )
       ( resid 21 and name HB3
  or resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 40 and name HD3
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 3.6 0.7 0.7 volume=0.782 peak=879 ppm1=1.588 ppm2=1.048

assign ( resid 45 and name HB
  )
       ( resid 12 and name HD1#
  or resid 45 and name HG1#
  ) 4.1 0.8 0.8 volume=0.714 peak=880 ppm1=2.415 ppm2=0.639

assign ( resid 18 and name HG3
  or resid 54 and name HG2
  or resid 54 and name HG3
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 63 and name HD1#
  or resid 65 and name HG2#
  or resid 67 and name HG1#
  ) 3.8 0.8 0.8 volume=0.817 peak=881 ppm1=2.378 ppm2=0.959

assign ( resid 45 and name HB
  )
       ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  ) 4.0 0.8 0.8 volume=0.559 peak=882 ppm1=2.418 ppm2=0.801

assign ( resid 18 and name HG3
  or resid 54 and name HG2
  or resid 54 and name HG3
  )
       ( resid 12 and name HB2
  or resid 18 and name HB2
  or resid 25 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 2.6 0.5 0.5 volume=3.134 peak=883 ppm1=2.374 ppm2=2.065

assign ( resid 29 and name HB2
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.8 0.8 0.8 volume=0.348 peak=884 ppm1=1.585 ppm2=4.079

assign ( resid 29 and name HB3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.7 0.7 0.7 volume=0.403 peak=885 ppm1=1.041 ppm2=4.075

assign ( resid 29 and name HB2
  )
       ( resid 29 and name HN
  or resid 54 and name HE22
  or resid 74 and name HZ2
  or resid 84 and name HN
  or resid 91 and name HD21
  ) 3.6 0.7 0.7 volume=0.511 peak=886 ppm1=1.587 ppm2=7.549

assign ( resid 29 and name HB3
  )
       ( resid 29 and name HN
  or resid 74 and name HZ2
  or resid 84 and name HN
  or resid 91 and name HD21
  ) 4.0 0.8 0.8 volume=0.260 peak=887 ppm1=1.056 ppm2=7.550

assign ( resid 45 and name HB
  )
       ( resid 46 and name HN
  ) 3.7 0.7 0.7 volume=0.419 peak=888 ppm1=2.431 ppm2=9.737

assign ( resid 45 and name HB
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 4.0 0.8 0.8 volume=0.253 peak=889 ppm1=2.424 ppm2=8.124

assign ( resid 18 and name HG3
  or resid 54 and name HG2
  or resid 54 and name HG3
  )
       ( resid 18 and name HN
  or resid 32 and name HN
  or resid 65 and name HN
  ) 3.3 0.7 0.7 volume=0.779 peak=890 ppm1=2.378 ppm2=8.604

assign ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 92 and name HA
  or resid 106 and name HA
  ) 3.1 0.6 0.6 volume=1.143 peak=891 ppm1=2.434 ppm2=4.369

assign ( resid 18 and name HG3
  or resid 54 and name HG2
  or resid 54 and name HG3
  )
       ( resid 1 and name HB3
  or resid 2 and name HB2
  or resid 31 and name HD3
  or resid 50 and name HB3
  or resid 76 and name HA
  or resid 93 and name HA1
  or resid 94 and name HB3
  ) 3.7 0.7 0.7 volume=0.428 peak=892 ppm1=2.375 ppm2=3.911

assign ( resid 5 and name HG3
  or resid 5 and name HG2
  )
       ( resid 3 and name HB2
  or resid 5 and name HB2
  or resid 13 and name HG2
  or resid 13 and name HD2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  ) 2.2 0.4 0.4 volume=9.229 peak=893 ppm1=2.120 ppm2=1.902

assign ( resid 23 and name HB3
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  ) 3.8 0.8 0.8 volume=0.372 peak=894 ppm1=3.468 ppm2=2.846

assign ( resid 23 and name HB3
  )
       ( resid 7 and name HB3
  or resid 7 and name HB2
  or resid 23 and name HB2
  or resid 58 and name HB2
  or resid 71 and name HB3
  or resid 72 and name HB2
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 3.9 0.8 0.8 volume=0.294 peak=895 ppm1=3.498 ppm2=2.629

assign ( resid 23 and name HB3
  )
       ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 3.8 0.8 0.8 volume=0.363 peak=896 ppm1=3.495 ppm2=2.386

assign ( resid 5 and name HG3
  or resid 5 and name HG2
  )
       ( resid 3 and name HA
  or resid 5 and name HA
  or resid 19 and name HB
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 81 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 2.9 0.6 0.6 volume=1.762 peak=897 ppm1=2.118 ppm2=4.218

assign ( resid 23 and name HB2
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  ) 3.6 0.7 0.7 volume=0.504 peak=898 ppm1=2.615 ppm2=3.489

assign ( resid 23 and name HB3
  )
       ( resid 23 and name HA
  or resid 44 and name HA
  or resid 68 and name HA
  ) 3.8 0.8 0.8 volume=0.380 peak=899 ppm1=3.482 ppm2=5.168

assign ( resid 23 and name HB2
  )
       ( resid 23 and name HA
  or resid 44 and name HA
  or resid 68 and name HA
  ) 3.9 0.8 0.8 volume=0.303 peak=900 ppm1=2.596 ppm2=5.165

assign ( resid 23 and name HB3
  )
       ( resid 24 and name HN
  or resid 40 and name HN
  or resid 42 and name HN
  ) 3.5 0.7 0.7 volume=0.586 peak=901 ppm1=3.485 ppm2=9.000

assign ( resid 23 and name HB2
  )
       ( resid 24 and name HN
  or resid 40 and name HN
  ) 3.6 0.7 0.7 volume=0.496 peak=902 ppm1=2.631 ppm2=9.003

assign ( resid 18 and name HG3
  or resid 54 and name HG2
  or resid 54 and name HG3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 4.0 0.8 0.8 volume=0.270 peak=903 ppm1=2.384 ppm2=4.071

assign ( resid 18 and name HG3
  or resid 54 and name HG2
  or resid 54 and name HG3
  )
       ( resid 39 and name HD2
  or resid 39 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 4.0 0.8 0.8 volume=0.277 peak=904 ppm1=2.370 ppm2=3.633

assign ( resid 103 and name HB2
  or resid 104 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB2
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 29 and name HD3
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 2.6 0.5 0.5 volume=3.472 peak=905 ppm1=1.830 ppm2=1.456

assign ( resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 29 and name HD3
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 2.5 0.5 0.5 volume=4.117 peak=906 ppm1=1.763 ppm2=1.455

assign ( resid 10 and name HG3
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.7 0.7 0.7 volume=1.163 peak=907 ppm1=2.547 ppm2=0.901

assign ( resid 10 and name HG3
  )
       ( resid 12 and name HD1#
  or resid 45 and name HG1#
  ) 4.6 0.9 0.9 volume=0.328 peak=908 ppm1=2.568 ppm2=0.642

assign ( resid 14 and name HG2
  or resid 14 and name HG3
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 2.8 0.6 0.6 volume=2.623 peak=909 ppm1=2.474 ppm2=2.133

assign ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 2.7 0.5 0.5 volume=2.671 peak=910 ppm1=2.440 ppm2=2.135

assign ( resid 14 and name HG2
  or resid 14 and name HG3
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 2.8 0.6 0.6 volume=2.018 peak=911 ppm1=2.478 ppm2=1.995

assign ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 2.8 0.6 0.6 volume=2.310 peak=912 ppm1=2.442 ppm2=1.993

assign ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  )
       ( resid 15 and name HD3
  or resid 39 and name HD2
  or resid 39 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 3.6 0.7 0.7 volume=0.486 peak=913 ppm1=2.461 ppm2=3.607

assign ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.9 0.8 0.8 volume=0.286 peak=914 ppm1=2.460 ppm2=4.080

assign ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  )
       ( resid 41 and name HA
  or resid 73 and name HA
  or resid 87 and name HA
  ) 3.7 0.7 0.7 volume=0.438 peak=915 ppm1=2.432 ppm2=5.105

assign ( resid 10 and name HG3
  )
       ( resid 41 and name HA
  or resid 64 and name HA
  or resid 73 and name HA
  or resid 87 and name HA
  ) 3.8 0.8 0.8 volume=0.372 peak=916 ppm1=2.545 ppm2=5.095

assign ( resid 10 and name HG3
  )
       ( resid 10 and name HA
  or resid 36 and name HA
  or resid 46 and name HA
  ) 3.7 0.7 0.7 volume=0.391 peak=917 ppm1=2.549 ppm2=4.921

assign ( resid 10 and name HG2
  )
       ( resid 10 and name HA
  or resid 36 and name HA
  or resid 46 and name HA
  ) 3.9 0.8 0.8 volume=0.294 peak=918 ppm1=2.416 ppm2=4.926

assign ( resid 103 and name HB2
  or resid 104 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB2
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 2.9 0.6 0.6 volume=1.946 peak=919 ppm1=1.830 ppm2=4.295

assign ( resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 2.9 0.6 0.6 volume=1.882 peak=920 ppm1=1.758 ppm2=4.295

assign ( resid 14 and name HG2
  or resid 14 and name HG3
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  or resid 106 and name HA
  ) 3.2 0.6 0.6 volume=0.953 peak=921 ppm1=2.469 ppm2=4.382

assign ( resid 17 and name HB
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.0 0.6 0.6 volume=1.468 peak=922 ppm1=2.261 ppm2=4.269

assign ( resid 18 and name HG3
  or resid 54 and name HG2
  or resid 54 and name HG3
  )
       ( resid 9 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 106 and name HA
  ) 4.0 0.8 0.8 volume=0.273 peak=923 ppm1=2.362 ppm2=4.339

assign ( resid 15 and name HB2
  or resid 39 and name HB2
  )
       ( resid 15 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 3.6 0.7 0.7 volume=0.491 peak=924 ppm1=1.999 ppm2=3.706

assign ( resid 13 and name HB3
  or resid 15 and name HB3
  or resid 103 and name HB2
  or resid 104 and name HB2
  or resid 106 and name HB2
  )
       ( resid 12 and name HA
  or resid 15 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 3.6 0.7 0.7 volume=0.455 peak=925 ppm1=1.847 ppm2=3.713

assign ( resid 13 and name HB3
  or resid 15 and name HB3
  or resid 103 and name HB2
  or resid 104 and name HB2
  or resid 106 and name HB2
  )
       ( resid 15 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 4.1 0.8 0.8 volume=0.239 peak=926 ppm1=1.857 ppm2=3.603

assign ( resid 42 and name HB3
  or resid 42 and name HB2
  )
       ( resid 12 and name HA
  or resid 15 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 3.7 0.7 0.7 volume=0.450 peak=927 ppm1=1.498 ppm2=3.729

assign ( resid 42 and name HB3
  )
       ( resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  ) 4.1 0.8 0.8 volume=0.421 peak=928 ppm1=1.513 ppm2=0.791

assign ( resid 42 and name HB2
  )
       ( resid 19 and name HG2#
  or resid 40 and name HG3
  or resid 42 and name HG2
  ) 3.4 0.7 0.7 volume=0.874 peak=929 ppm1=1.481 ppm2=1.170

assign ( resid 37 and name HB
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 59 and name HG13
  or resid 83 and name HG3
  ) 3.2 0.6 0.6 volume=1.151 peak=930 ppm1=2.183 ppm2=1.262

assign ( resid 37 and name HB
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  ) 3.4 0.7 0.7 volume=0.845 peak=931 ppm1=2.180 ppm2=1.101

assign ( resid 13 and name HB2
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 104 and name HB2
  or resid 106 and name HB2
  ) 3.2 0.6 0.6 volume=1.012 peak=932 ppm1=2.316 ppm2=1.863

assign ( resid 15 and name HB2
  or resid 39 and name HB2
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 2.9 0.6 0.6 volume=1.664 peak=933 ppm1=1.988 ppm2=1.782

assign ( resid 37 and name HB
  )
       ( resid 37 and name HA
  or resid 53 and name HA
  or resid 65 and name HA
  or resid 80 and name HA1
  or resid 88 and name HA
  or resid 107 and name HA
  ) 4.0 0.8 0.8 volume=0.250 peak=934 ppm1=2.187 ppm2=4.024

assign ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  )
       ( resid 11 and name HN
  or resid 89 and name HN
  ) 3.7 0.7 0.7 volume=0.402 peak=935 ppm1=2.454 ppm2=8.770

assign ( resid 10 and name HG3
  )
       ( resid 11 and name HN
  or resid 89 and name HN
  ) 3.8 0.8 0.8 volume=0.380 peak=936 ppm1=2.549 ppm2=8.751

assign ( resid 14 and name HG2
  or resid 14 and name HG3
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.5 0.7 0.7 volume=0.572 peak=937 ppm1=2.479 ppm2=8.388

assign ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  )
       ( resid 10 and name HN
  or resid 14 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 106 and name HN
  ) 3.3 0.7 0.7 volume=0.819 peak=938 ppm1=2.433 ppm2=8.365

assign ( resid 37 and name HB
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  or resid 37 and name HN
  or resid 77 and name HN
  or resid 101 and name HN
  ) 3.4 0.7 0.7 volume=0.743 peak=939 ppm1=2.173 ppm2=8.030

assign ( resid 33 and name HB3
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  ) 3.8 0.8 0.8 volume=0.367 peak=940 ppm1=2.478 ppm2=7.666

assign ( resid 42 and name HB3
  or resid 42 and name HB2
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.7 0.7 0.7 volume=0.410 peak=941 ppm1=1.487 ppm2=8.136

assign ( resid 42 and name HB3
  )
       ( resid 42 and name HN
  ) 4.0 0.8 0.8 volume=0.271 peak=942 ppm1=1.511 ppm2=8.956

assign ( resid 25 and name HB2
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 81 and name HN
  or resid 106 and name HN
  ) 3.2 0.6 0.6 volume=0.967 peak=943 ppm1=2.089 ppm2=8.415

assign ( resid 13 and name HB3
  or resid 15 and name HB3
  or resid 103 and name HB2
  or resid 106 and name HB2
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.6 0.7 0.7 volume=0.485 peak=944 ppm1=1.871 ppm2=8.388

assign ( resid 15 and name HB2
  or resid 39 and name HB2
  )
       ( resid 7 and name HN
  or resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 91 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  or resid 105 and name HN
  ) 3.8 0.8 0.8 volume=0.369 peak=945 ppm1=1.977 ppm2=8.256

assign ( resid 13 and name HB3
  or resid 15 and name HB3
  or resid 103 and name HB2
  or resid 106 and name HB2
  )
       ( resid 7 and name HN
  or resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 91 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  or resid 105 and name HN
  ) 3.9 0.8 0.8 volume=0.311 peak=946 ppm1=1.869 ppm2=8.261

assign ( resid 15 and name HB2
  or resid 25 and name HB3
  or resid 39 and name HB2
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 81 and name HN
  or resid 106 and name HN
  ) 3.1 0.6 0.6 volume=1.158 peak=947 ppm1=1.999 ppm2=8.413

assign ( resid 13 and name HB2
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  or resid 65 and name HN
  ) 3.9 0.8 0.8 volume=0.312 peak=948 ppm1=2.319 ppm2=8.553

assign ( resid 13 and name HB2
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.9 0.8 0.8 volume=0.284 peak=949 ppm1=2.343 ppm2=8.375

assign ( resid 25 and name HB3
  or resid 56 and name HB2
  or resid 83 and name HB2
  )
       ( resid 13 and name HN
  or resid 18 and name HN
  or resid 32 and name HN
  or resid 58 and name HN
  or resid 65 and name HN
  ) 3.0 0.6 0.6 volume=1.628 peak=950 ppm1=1.995 ppm2=8.591

assign ( resid 13 and name HB3
  or resid 15 and name HB3
  or resid 31 and name HB3
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  or resid 65 and name HN
  ) 3.9 0.8 0.8 volume=0.300 peak=951 ppm1=1.851 ppm2=8.553

assign ( resid 25 and name HB3
  or resid 56 and name HB2
  or resid 83 and name HB2
  )
       ( resid 66 and name HN
  or resid 74 and name HN
  ) 3.7 0.7 0.7 volume=0.437 peak=952 ppm1=2.006 ppm2=9.067

assign ( resid 33 and name HB2
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  ) 4.0 0.8 0.8 volume=0.265 peak=953 ppm1=3.277 ppm2=7.661

assign ( resid 73 and name HB2
  )
       ( resid 24 and name HN
  or resid 40 and name HN
  or resid 74 and name HN
  ) 3.9 0.8 0.8 volume=0.304 peak=954 ppm1=3.140 ppm2=9.025

assign ( resid 73 and name HB3
  )
       ( resid 24 and name HN
  or resid 40 and name HN
  or resid 74 and name HN
  ) 3.9 0.8 0.8 volume=0.319 peak=955 ppm1=3.402 ppm2=9.037

assign ( resid 17 and name HB
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.9 0.8 0.8 volume=0.313 peak=956 ppm1=2.242 ppm2=8.225

assign ( resid 25 and name HB3
  or resid 56 and name HB2
  or resid 83 and name HB2
  )
       ( resid 6 and name HD#
  or resid 27 and name HN
  or resid 51 and name HE#
  or resid 57 and name HD21
  or resid 74 and name HZ3
  or resid 83 and name HN
  or resid 101 and name HD#
  ) 3.8 0.8 0.8 volume=0.446 peak=957 ppm1=1.999 ppm2=7.204

assign ( resid 33 and name HB3
  )
       ( resid 33 and name HA
  ) 3.5 0.7 0.7 volume=0.592 peak=958 ppm1=2.491 ppm2=4.882

assign ( resid 33 and name HB2
  )
       ( resid 33 and name HA
  ) 3.4 0.7 0.7 volume=0.751 peak=959 ppm1=3.258 ppm2=4.883

assign ( resid 25 and name HB2
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 56 and name HA
  or resid 59 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.2 0.6 0.6 volume=1.097 peak=960 ppm1=2.076 ppm2=4.305

assign ( resid 15 and name HB2
  or resid 25 and name HB3
  or resid 39 and name HB2
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 2.9 0.6 0.6 volume=1.856 peak=961 ppm1=1.996 ppm2=4.296

assign ( resid 25 and name HB3
  or resid 56 and name HB2
  or resid 83 and name HB2
  )
       ( resid 37 and name HA
  or resid 53 and name HA
  or resid 65 and name HA
  or resid 80 and name HA1
  or resid 93 and name HA2
  or resid 107 and name HA
  ) 3.3 0.7 0.7 volume=0.862 peak=962 ppm1=2.006 ppm2=4.008

assign ( resid 31 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 35 and name HB3
  or resid 37 and name HA
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 65 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  ) 2.7 0.5 0.5 volume=2.682 peak=963 ppm1=1.856 ppm2=4.040

assign ( resid 56 and name HB3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 65 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.8 0.8 0.8 volume=0.353 peak=964 ppm1=1.789 ppm2=4.043

assign ( resid 83 and name HB3
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.6 0.7 0.7 volume=0.530 peak=965 ppm1=1.676 ppm2=4.287

assign ( resid 56 and name HB3
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.6 0.7 0.7 volume=0.464 peak=966 ppm1=1.765 ppm2=4.289

assign ( resid 33 and name HB3
  )
       ( resid 6 and name HB2
  or resid 26 and name HB2
  or resid 33 and name HB2
  or resid 36 and name HB3
  or resid 41 and name HD2
  or resid 41 and name HD3
  or resid 82 and name HA
  ) 3.1 0.6 0.6 volume=1.233 peak=967 ppm1=2.485 ppm2=3.275

assign ( resid 73 and name HB2
  )
       ( resid 73 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 3.7 0.7 0.7 volume=0.452 peak=968 ppm1=3.127 ppm2=3.396

assign ( resid 73 and name HB3
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 3.6 0.7 0.7 volume=0.461 peak=969 ppm1=3.406 ppm2=3.145

assign ( resid 33 and name HB2
  )
       ( resid 14 and name HG2
  or resid 14 and name HG3
  or resid 27 and name HB3
  or resid 33 and name HB3
  or resid 57 and name HB3
  or resid 69 and name HB2
  ) 3.0 0.6 0.6 volume=1.355 peak=970 ppm1=3.278 ppm2=2.480

assign ( resid 39 and name HB3
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.2 0.6 0.6 volume=1.043 peak=971 ppm1=1.125 ppm2=1.989

assign ( resid 39 and name HB3
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 3.2 0.6 0.6 volume=0.946 peak=972 ppm1=1.131 ppm2=1.780

assign ( resid 17 and name HB
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 63 and name HD1#
  or resid 65 and name HG2#
  or resid 67 and name HG1#
  ) 2.8 0.6 0.6 volume=4.743 peak=973 ppm1=2.258 ppm2=0.959

assign ( resid 33 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 63 and name HD1#
  or resid 65 and name HG2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HG2#
  or resid 107 and name HG2#
  ) 4.3 0.9 0.9 volume=0.420 peak=974 ppm1=3.260 ppm2=0.948

assign ( resid 25 and name HB3
  or resid 56 and name HB2
  or resid 83 and name HB2
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 40 and name HG3
  or resid 59 and name HG13
  or resid 83 and name HG2
  ) 3.8 0.8 0.8 volume=0.411 peak=975 ppm1=1.996 ppm2=1.229

assign ( resid 25 and name HB3
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  )
       ( resid 21 and name HB3
  or resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 40 and name HD3
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 3.0 0.6 0.6 volume=2.502 peak=976 ppm1=1.994 ppm2=1.049

assign ( resid 25 and name HB3
  or resid 56 and name HB2
  or resid 83 and name HB2
  )
       ( resid 3 and name HG2
  or resid 8 and name HG
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG12
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  or resid 97 and name HB2
  ) 3.0 0.6 0.6 volume=1.504 peak=977 ppm1=2.012 ppm2=1.620

assign ( resid 31 and name HB2
  or resid 81 and name HB2
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.2 0.6 0.6 volume=0.991 peak=978 ppm1=2.132 ppm2=1.595

assign ( resid 25 and name HB2
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.4 0.7 0.7 volume=0.758 peak=979 ppm1=2.072 ppm2=1.598

assign ( resid 15 and name HB2
  or resid 39 and name HB2
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 78 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.4 0.7 0.7 volume=0.642 peak=980 ppm1=1.965 ppm2=1.492

assign ( resid 13 and name HB3
  or resid 15 and name HB3
  or resid 31 and name HB3
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.0 0.6 0.6 volume=1.705 peak=981 ppm1=1.886 ppm2=2.141

assign ( resid 43 and name HB
  or resid 81 and name HB3
  )
       ( resid 43 and name HG1#
  ) 4.3 0.9 0.9 volume=0.535 peak=982 ppm1=1.525 ppm2=0.468

assign ( resid 43 and name HB
  or resid 81 and name HB3
  )
       ( resid 43 and name HG2#
  ) 4.2 0.8 0.8 volume=0.606 peak=983 ppm1=1.532 ppm2=-0.110

assign ( resid 61 and name HB3
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.4 0.9 0.9 volume=0.445 peak=984 ppm1=2.735 ppm2=0.912

assign ( resid 46 and name HB2
  or resid 61 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.2 0.8 0.8 volume=0.572 peak=985 ppm1=3.202 ppm2=0.912

assign ( resid 46 and name HB2
  or resid 61 and name HB2
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 91 and name HB3
  ) 3.0 0.6 0.6 volume=1.491 peak=986 ppm1=3.206 ppm2=2.741

assign ( resid 58 and name HB3
  )
       ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 91 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 3.4 0.7 0.7 volume=0.704 peak=987 ppm1=3.338 ppm2=2.673

assign ( resid 26 and name HB2
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  ) 3.2 0.6 0.6 volume=1.012 peak=988 ppm1=3.276 ppm2=2.851

assign ( resid 61 and name HB3
  )
       ( resid 6 and name HB2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 76 and name HB2
  ) 3.2 0.6 0.6 volume=1.098 peak=989 ppm1=2.738 ppm2=3.212

assign ( resid 26 and name HB3
  )
       ( resid 6 and name HB2
  or resid 26 and name HB2
  or resid 33 and name HB2
  or resid 36 and name HB3
  or resid 41 and name HD2
  or resid 41 and name HD3
  or resid 82 and name HA
  ) 3.4 0.7 0.7 volume=0.713 peak=990 ppm1=2.835 ppm2=3.273

assign ( resid 26 and name HB2
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.6 0.7 0.7 volume=0.524 peak=991 ppm1=3.276 ppm2=4.076

assign ( resid 26 and name HB3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.7 0.7 0.7 volume=0.442 peak=992 ppm1=2.859 ppm2=4.082

assign ( resid 58 and name HB2
  )
       ( resid 58 and name HB3
  or resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 3.8 0.8 0.8 volume=0.369 peak=993 ppm1=2.677 ppm2=3.352

assign ( resid 58 and name HB2
  )
       ( resid 36 and name HB3
  or resid 41 and name HD2
  or resid 41 and name HD3
  or resid 58 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 3.7 0.7 0.7 volume=0.425 peak=994 ppm1=2.643 ppm2=3.338

assign ( resid 83 and name HB3
  )
       ( resid 27 and name HN
  or resid 51 and name HE#
  or resid 57 and name HD21
  or resid 74 and name HZ3
  or resid 83 and name HN
  or resid 101 and name HD#
  ) 3.7 0.7 0.7 volume=0.512 peak=995 ppm1=1.666 ppm2=7.196

assign ( resid 58 and name HB2
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 86 and name HN
  or resid 90 and name HN
  ) 4.0 0.8 0.8 volume=0.260 peak=996 ppm1=2.655 ppm2=8.867

assign ( resid 46 and name HB2
  or resid 61 and name HB2
  )
       ( resid 47 and name HN
  or resid 86 and name HN
  ) 3.7 0.7 0.7 volume=0.413 peak=997 ppm1=3.236 ppm2=8.809

assign ( resid 46 and name HB3
  )
       ( resid 47 and name HN
  or resid 86 and name HN
  ) 3.7 0.7 0.7 volume=0.434 peak=998 ppm1=2.410 ppm2=8.813

assign ( resid 58 and name HB3
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  or resid 65 and name HN
  ) 3.6 0.7 0.7 volume=0.489 peak=999 ppm1=3.361 ppm2=8.567

assign ( resid 58 and name HB2
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  or resid 65 and name HN
  ) 3.6 0.7 0.7 volume=0.482 peak=1000 ppm1=2.665 ppm2=8.567

assign ( resid 58 and name HB3
  )
       ( resid 25 and name HN
  or resid 38 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 81 and name HN
  ) 4.1 0.8 0.8 volume=0.241 peak=1001 ppm1=3.374 ppm2=8.423

assign ( resid 46 and name HB2
  or resid 61 and name HB2
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.8 0.8 0.8 volume=0.359 peak=1002 ppm1=3.226 ppm2=8.395

assign ( resid 26 and name HB2
  )
       ( resid 7 and name HN
  or resid 10 and name HN
  or resid 16 and name HN
  or resid 26 and name HN
  or resid 100 and name HN
  or resid 105 and name HN
  ) 3.7 0.7 0.7 volume=0.423 peak=1003 ppm1=3.261 ppm2=8.297

assign ( resid 26 and name HB3
  )
       ( resid 7 and name HN
  or resid 10 and name HN
  or resid 26 and name HN
  or resid 100 and name HN
  or resid 105 and name HN
  ) 3.6 0.7 0.7 volume=0.533 peak=1004 ppm1=2.840 ppm2=8.303

assign ( resid 46 and name HB2
  or resid 61 and name HB2
  )
       ( resid 6 and name HN
  or resid 16 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 4.0 0.8 0.8 volume=0.266 peak=1005 ppm1=3.229 ppm2=8.222

assign ( resid 61 and name HB2
  )
       ( resid 6 and name HN
  or resid 45 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  ) 3.6 0.7 0.7 volume=0.496 peak=1006 ppm1=3.191 ppm2=8.180

assign ( resid 58 and name HB3
  )
       ( resid 6 and name HN
  or resid 45 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  ) 3.9 0.8 0.8 volume=0.297 peak=1007 ppm1=3.366 ppm2=8.182

assign ( resid 61 and name HB3
  )
       ( resid 6 and name HN
  or resid 45 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  ) 4.1 0.8 0.8 volume=0.243 peak=1008 ppm1=2.746 ppm2=8.182

assign ( resid 58 and name HB3
  )
       ( resid 4 and name HE1
  or resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 100 and name HE1
  ) 4.0 0.8 0.8 volume=0.260 peak=1009 ppm1=3.365 ppm2=7.849

assign ( resid 58 and name HB2
  )
       ( resid 4 and name HE1
  or resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 88 and name HN
  or resid 100 and name HE1
  ) 4.0 0.8 0.8 volume=0.249 peak=1010 ppm1=2.669 ppm2=7.831

assign ( resid 46 and name HB3
  )
       ( resid 46 and name HN
  ) 4.0 0.8 0.8 volume=0.245 peak=1011 ppm1=2.432 ppm2=9.743

assign ( resid 46 and name HB2
  or resid 61 and name HB2
  )
       ( resid 46 and name HN
  ) 3.8 0.8 0.8 volume=0.363 peak=1012 ppm1=3.234 ppm2=9.746

assign ( resid 56 and name HB3
  )
       ( resid 4 and name HE1
  or resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 88 and name HN
  or resid 100 and name HE1
  ) 3.7 0.7 0.7 volume=0.391 peak=1013 ppm1=1.766 ppm2=7.829

assign ( resid 44 and name HB3
  )
       ( resid 41 and name HN
  or resid 44 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 84 and name HN
  or resid 88 and name HE
  or resid 95 and name HD22
  ) 3.9 0.8 0.8 volume=0.291 peak=1014 ppm1=1.575 ppm2=7.616

assign ( resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  )
       ( resid 4 and name HE1
  or resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 88 and name HN
  or resid 100 and name HE1
  ) 3.8 0.8 0.8 volume=0.332 peak=1015 ppm1=2.000 ppm2=7.836

assign ( resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 44 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  ) 4.1 0.8 0.8 volume=0.236 peak=1016 ppm1=2.011 ppm2=7.642

assign ( resid 43 and name HB
  or resid 81 and name HB3
  )
       ( resid 25 and name HN
  or resid 38 and name HN
  or resid 63 and name HN
  or resid 81 and name HN
  ) 4.1 0.8 0.8 volume=0.243 peak=1017 ppm1=1.531 ppm2=8.440

assign ( resid 43 and name HB
  or resid 81 and name HB3
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.7 0.7 0.7 volume=0.450 peak=1018 ppm1=1.538 ppm2=8.134

assign ( resid 30 and name HB2
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  or resid 37 and name HN
  or resid 101 and name HN
  ) 3.7 0.7 0.7 volume=0.427 peak=1019 ppm1=3.486 ppm2=8.014

assign ( resid 30 and name HB3
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  or resid 37 and name HN
  or resid 77 and name HN
  or resid 101 and name HN
  ) 3.7 0.7 0.7 volume=0.402 peak=1020 ppm1=3.176 ppm2=8.023

assign ( resid 86 and name HB2
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  or resid 65 and name HN
  ) 4.1 0.8 0.8 volume=0.241 peak=1021 ppm1=3.142 ppm2=8.556

assign ( resid 30 and name HB2
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 44 and name HD2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  ) 3.5 0.7 0.7 volume=0.624 peak=1022 ppm1=3.483 ppm2=3.173

assign ( resid 26 and name HB2
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 4.3 0.9 0.9 volume=0.352 peak=1023 ppm1=3.267 ppm2=1.035

assign ( resid 26 and name HB2
  )
       ( resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  or resid 90 and name HD1#
  ) 4.1 0.8 0.8 volume=0.469 peak=1024 ppm1=3.273 ppm2=0.786

assign ( resid 26 and name HB3
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 4.1 0.8 0.8 volume=0.477 peak=1025 ppm1=2.828 ppm2=1.031

assign ( resid 26 and name HB3
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.7 0.9 0.9 volume=0.303 peak=1026 ppm1=2.830 ppm2=0.898

assign ( resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  )
       ( resid 21 and name HD2#
  or resid 90 and name HD1#
  ) 4.5 0.9 0.9 volume=0.378 peak=1027 ppm1=2.011 ppm2=0.730

assign ( resid 15 and name HB2
  or resid 39 and name HB2
  )
       ( resid 9 and name HG13
  or resid 19 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HG2
  or resid 42 and name HG2
  ) 3.2 0.6 0.6 volume=1.113 peak=1028 ppm1=1.984 ppm2=1.136

assign ( resid 25 and name HB3
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 65 and name HG2#
  ) 3.7 0.7 0.7 volume=0.833 peak=1029 ppm1=1.995 ppm2=0.974

assign ( resid 56 and name HB3
  )
       ( resid 12 and name HB2
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 40 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 2.7 0.5 0.5 volume=2.660 peak=1030 ppm1=1.766 ppm2=2.020

assign ( resid 83 and name HB3
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 2.9 0.6 0.6 volume=1.748 peak=1031 ppm1=1.681 ppm2=1.995

assign ( resid 25 and name HB2
  )
       ( resid 8 and name HB2
  or resid 12 and name HB3
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 104 and name HB3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  or resid 106 and name HB3
  ) 2.8 0.6 0.6 volume=2.339 peak=1032 ppm1=2.100 ppm2=1.717

assign ( resid 53 and name HB2
  or resid 53 and name HB3
  )
       ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 2.8 0.6 0.6 volume=2.086 peak=1033 ppm1=1.850 ppm2=1.503

assign ( resid 31 and name HB2
  or resid 81 and name HB2
  )
       ( resid 13 and name HG3
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 29 and name HD2
  or resid 32 and name HG13
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 90 and name HB2
  ) 3.2 0.6 0.6 volume=1.069 peak=1034 ppm1=2.163 ppm2=1.541

assign ( resid 31 and name HB2
  or resid 81 and name HB2
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 5 and name HB2
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  or resid 103 and name HB2
  or resid 106 and name HB2
  ) 3.2 0.6 0.6 volume=1.037 peak=1035 ppm1=2.136 ppm2=1.877

assign ( resid 25 and name HB3
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 2.8 0.6 0.6 volume=2.172 peak=1036 ppm1=2.014 ppm2=1.777

assign ( resid 46 and name HB3
  )
       ( resid 6 and name HB2
  or resid 33 and name HB2
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 82 and name HA
  ) 3.7 0.7 0.7 volume=0.408 peak=1037 ppm1=2.415 ppm2=3.233

assign ( resid 58 and name HB2
  )
       ( resid 23 and name HN
  ) 3.9 0.8 0.8 volume=0.298 peak=1038 ppm1=2.664 ppm2=9.630

assign ( resid 58 and name HB3
  )
       ( resid 23 and name HN
  ) 3.9 0.8 0.8 volume=0.329 peak=1039 ppm1=3.357 ppm2=9.616

assign ( resid 26 and name HB3
  )
       ( resid 23 and name HN
  ) 4.0 0.8 0.8 volume=0.265 peak=1040 ppm1=2.827 ppm2=9.616

assign ( resid 44 and name HB2
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.9 0.8 0.8 volume=0.283 peak=1041 ppm1=1.922 ppm2=8.138

assign ( resid 30 and name HB3
  or resid 86 and name HB2
  )
       ( resid 47 and name HN
  or resid 86 and name HN
  ) 3.8 0.8 0.8 volume=0.347 peak=1042 ppm1=3.167 ppm2=8.837

assign ( resid 86 and name HB2
  )
       ( resid 47 and name HN
  or resid 71 and name HN
  or resid 86 and name HN
  ) 3.8 0.8 0.8 volume=0.376 peak=1043 ppm1=3.128 ppm2=8.841

assign ( resid 86 and name HB3
  )
       ( resid 47 and name HN
  or resid 86 and name HN
  ) 3.7 0.7 0.7 volume=0.416 peak=1044 ppm1=2.719 ppm2=8.831

assign ( resid 86 and name HB2
  )
       ( resid 12 and name HN
  or resid 73 and name HN
  ) 3.9 0.8 0.8 volume=0.303 peak=1045 ppm1=3.141 ppm2=9.532

assign ( resid 86 and name HB3
  )
       ( resid 46 and name HN
  ) 4.1 0.8 0.8 volume=0.239 peak=1046 ppm1=2.755 ppm2=9.755

assign ( resid 86 and name HB3
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  or resid 65 and name HN
  ) 4.1 0.8 0.8 volume=0.238 peak=1047 ppm1=2.725 ppm2=8.558

assign ( resid 30 and name HB2
  )
       ( resid 10 and name HN
  or resid 14 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 106 and name HN
  ) 4.0 0.8 0.8 volume=0.260 peak=1048 ppm1=3.488 ppm2=8.363

assign ( resid 86 and name HB2
  )
       ( resid 45 and name HA
  ) 3.9 0.8 0.8 volume=0.307 peak=1049 ppm1=3.128 ppm2=5.298

assign ( resid 30 and name HB2
  )
       ( resid 21 and name HA
  or resid 30 and name HA
  or resid 45 and name HA
  ) 4.0 0.8 0.8 volume=0.269 peak=1050 ppm1=3.468 ppm2=5.249

assign ( resid 30 and name HB3
  or resid 86 and name HB2
  )
       ( resid 21 and name HA
  or resid 30 and name HA
  or resid 68 and name HA
  ) 4.0 0.8 0.8 volume=0.251 peak=1051 ppm1=3.163 ppm2=5.210

assign ( resid 30 and name HB3
  or resid 86 and name HB2
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 4.0 0.8 0.8 volume=0.266 peak=1052 ppm1=3.157 ppm2=4.379

assign ( resid 86 and name HB2
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 92 and name HA
  or resid 106 and name HA
  ) 4.1 0.8 0.8 volume=0.234 peak=1053 ppm1=3.124 ppm2=4.361

assign ( resid 30 and name HB3
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  or resid 106 and name HA
  ) 4.0 0.8 0.8 volume=0.251 peak=1054 ppm1=3.198 ppm2=4.329

assign ( resid 86 and name HB3
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 92 and name HA
  or resid 106 and name HA
  ) 3.8 0.8 0.8 volume=0.363 peak=1055 ppm1=2.733 ppm2=4.369

assign ( resid 86 and name HB2
  )
       ( resid 11 and name HB3
  or resid 29 and name HE3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 91 and name HB3
  or resid 95 and name HB3
  ) 3.7 0.7 0.7 volume=0.421 peak=1056 ppm1=3.135 ppm2=2.752

assign ( resid 38 and name HB2
  or resid 102 and name HB3
  )
       ( resid 37 and name HB
  or resid 54 and name HB2
  or resid 67 and name HB
  or resid 87 and name HB2
  or resid 102 and name HG2
  or resid 102 and name HG3
  ) 3.8 0.8 0.8 volume=0.344 peak=1057 ppm1=1.916 ppm2=2.216

assign ( resid 102 and name HB2
  )
       ( resid 37 and name HB
  or resid 54 and name HB2
  or resid 67 and name HB
  or resid 87 and name HB2
  or resid 102 and name HG2
  or resid 102 and name HG3
  ) 2.3 0.5 0.5 volume=6.765 peak=1058 ppm1=1.993 ppm2=2.216

assign ( resid 3 and name HB2
  or resid 38 and name HB3
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 2.3 0.5 0.5 volume=6.964 peak=1059 ppm1=1.870 ppm2=1.766

assign ( resid 3 and name HB2
  or resid 38 and name HB3
  )
       ( resid 3 and name HG2
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 2.5 0.5 0.5 volume=4.140 peak=1060 ppm1=1.875 ppm2=1.604

assign ( resid 3 and name HB3
  or resid 96 and name HB3
  or resid 96 and name HB2
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 5 and name HB2
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  or resid 103 and name HB2
  or resid 106 and name HB2
  ) 2.4 0.5 0.5 volume=5.936 peak=1061 ppm1=1.761 ppm2=1.881

assign ( resid 38 and name HB2
  or resid 102 and name HB3
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 2.0 0.3 0.4 volume=15.503 peak=1062 ppm1=1.912 ppm2=2.002

assign ( resid 102 and name HB2
  )
       ( resid 5 and name HB2
  or resid 13 and name HG2
  or resid 13 and name HD2
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  ) 2.0 0.3 0.4 volume=17.154 peak=1063 ppm1=1.995 ppm2=1.907

assign ( resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  )
       ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 2.2 0.4 0.4 volume=8.599 peak=1064 ppm1=1.724 ppm2=1.509

assign ( resid 99 and name HB3
  )
       ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 2.4 0.5 0.5 volume=5.736 peak=1065 ppm1=1.672 ppm2=1.506

assign ( resid 3 and name HB3
  or resid 96 and name HB3
  or resid 96 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.5 0.9 0.9 volume=0.363 peak=1066 ppm1=1.773 ppm2=0.908

assign ( resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.5 0.9 0.9 volume=0.388 peak=1067 ppm1=1.731 ppm2=0.902

assign ( resid 4 and name HB3
  or resid 100 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.8 1.0 1.0 volume=0.253 peak=1068 ppm1=3.044 ppm2=0.900

assign ( resid 3 and name HB2
  or resid 38 and name HB3
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 44 and name HD2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  ) 3.2 0.6 0.6 volume=1.079 peak=1069 ppm1=1.868 ppm2=3.177

assign ( resid 3 and name HB3
  or resid 96 and name HB3
  or resid 96 and name HB2
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 44 and name HD2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 3.0 0.6 0.6 volume=1.610 peak=1070 ppm1=1.762 ppm2=3.167

assign ( resid 3 and name HB2
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 102 and name HB3
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.1 0.6 0.6 volume=1.239 peak=1071 ppm1=1.891 ppm2=4.285

assign ( resid 3 and name HB3
  or resid 96 and name HB3
  or resid 96 and name HB2
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 2.9 0.6 0.6 volume=1.802 peak=1072 ppm1=1.761 ppm2=4.285

assign ( resid 99 and name HB3
  )
       ( resid 3 and name HA
  or resid 5 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 32 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.2 0.6 0.6 volume=1.095 peak=1073 ppm1=1.663 ppm2=4.239

assign ( resid 100 and name HB3
  or resid 100 and name HB2
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 69 and name HA
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 2.9 0.6 0.6 volume=1.911 peak=1074 ppm1=3.027 ppm2=4.563

assign ( resid 4 and name HB3
  or resid 100 and name HB3
  or resid 100 and name HB2
  )
       ( resid 14 and name HE22
  or resid 68 and name HD22
  or resid 72 and name HD#
  or resid 91 and name HD22
  or resid 100 and name HD2
  ) 3.9 0.8 0.8 volume=0.316 peak=1075 ppm1=3.041 ppm2=6.978

assign ( resid 4 and name HB2
  or resid 100 and name HB3
  )
       ( resid 68 and name HD22
  or resid 72 and name HD#
  or resid 91 and name HD22
  or resid 100 and name HD2
  ) 3.8 0.8 0.8 volume=0.405 peak=1076 ppm1=2.994 ppm2=6.980

assign ( resid 38 and name HB3
  or resid 38 and name HB2
  or resid 102 and name HB3
  )
       ( resid 25 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 63 and name HN
  or resid 67 and name HN
  or resid 81 and name HN
  ) 3.7 0.7 0.7 volume=0.435 peak=1077 ppm1=1.907 ppm2=8.447

assign ( resid 11 and name HB2
  )
       ( resid 12 and name HN
  or resid 73 and name HN
  ) 3.9 0.8 0.8 volume=0.322 peak=1078 ppm1=2.889 ppm2=9.535

assign ( resid 11 and name HB3
  or resid 49 and name HB2
  )
       ( resid 12 and name HN
  ) 3.7 0.7 0.7 volume=0.407 peak=1079 ppm1=2.748 ppm2=9.507

assign ( resid 11 and name HB3
  or resid 49 and name HB2
  )
       ( resid 49 and name HN
  ) 4.0 0.8 0.8 volume=0.266 peak=1080 ppm1=2.752 ppm2=9.164

assign ( resid 11 and name HB2
  )
       ( resid 11 and name HN
  or resid 89 and name HN
  ) 3.9 0.8 0.8 volume=0.295 peak=1081 ppm1=2.883 ppm2=8.769

assign ( resid 11 and name HB3
  or resid 49 and name HB2
  )
       ( resid 11 and name HN
  or resid 89 and name HN
  ) 3.6 0.7 0.7 volume=0.463 peak=1082 ppm1=2.764 ppm2=8.768

assign ( resid 38 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  )
       ( resid 11 and name HN
  or resid 89 and name HN
  ) 4.0 0.8 0.8 volume=0.249 peak=1083 ppm1=1.918 ppm2=8.750

assign ( resid 38 and name HB3
  or resid 38 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  )
       ( resid 48 and name HD21
  or resid 85 and name HN
  or resid 88 and name HN
  ) 3.9 0.8 0.8 volume=0.322 peak=1084 ppm1=1.907 ppm2=7.799

assign ( resid 4 and name HB3
  or resid 100 and name HB3
  or resid 100 and name HB2
  )
       ( resid 4 and name HD2
  or resid 14 and name HE22
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 72 and name HE#
  or resid 95 and name HD21
  ) 3.7 0.7 0.7 volume=0.496 peak=1085 ppm1=3.015 ppm2=6.916

assign ( resid 87 and name HB2
  )
       ( resid 41 and name HA
  or resid 44 and name HA
  or resid 73 and name HA
  or resid 87 and name HA
  ) 3.5 0.7 0.7 volume=0.550 peak=1086 ppm1=2.208 ppm2=5.108

assign ( resid 87 and name HB3
  )
       ( resid 41 and name HA
  or resid 73 and name HA
  or resid 87 and name HA
  ) 3.5 0.7 0.7 volume=0.554 peak=1087 ppm1=2.148 ppm2=5.106

assign ( resid 102 and name HB2
  )
       ( resid 3 and name HA
  or resid 5 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.1 0.6 0.6 volume=1.106 peak=1088 ppm1=1.991 ppm2=4.234

assign ( resid 38 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 65 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.8 0.8 0.8 volume=0.336 peak=1089 ppm1=1.911 ppm2=4.045

assign ( resid 38 and name HB2
  or resid 102 and name HB3
  )
       ( resid 39 and name HD2
  or resid 39 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 3.5 0.7 0.7 volume=0.555 peak=1090 ppm1=1.916 ppm2=3.645

assign ( resid 38 and name HB3
  or resid 38 and name HB2
  or resid 102 and name HB3
  )
       ( resid 58 and name HB3
  or resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 3.6 0.7 0.7 volume=0.456 peak=1091 ppm1=1.905 ppm2=3.353

assign ( resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 2.9 0.6 0.6 volume=1.973 peak=1092 ppm1=1.727 ppm2=3.157

assign ( resid 99 and name HB3
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 3.0 0.6 0.6 volume=1.473 peak=1093 ppm1=1.670 ppm2=3.147

assign ( resid 38 and name HB2
  or resid 102 and name HB3
  )
       ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 3.7 0.7 0.7 volume=0.449 peak=1094 ppm1=1.913 ppm2=2.883

assign ( resid 87 and name HB2
  )
       ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 3.6 0.7 0.7 volume=0.487 peak=1095 ppm1=2.209 ppm2=1.922

assign ( resid 87 and name HB2
  )
       ( resid 8 and name HB2
  or resid 12 and name HB3
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  or resid 106 and name HB3
  ) 3.5 0.7 0.7 volume=0.562 peak=1096 ppm1=2.219 ppm2=1.714

assign ( resid 87 and name HB2
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.0 0.6 0.6 volume=1.620 peak=1097 ppm1=2.208 ppm2=2.000

assign ( resid 87 and name HB3
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 3.6 0.7 0.7 volume=0.474 peak=1098 ppm1=2.152 ppm2=1.990

assign ( resid 24 and name HB3
  or resid 24 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.8 0.8 0.8 volume=1.070 peak=1099 ppm1=2.101 ppm2=0.918

assign ( resid 74 and name HB2
  )
       ( resid 12 and name HG
  or resid 37 and name HG1#
  or resid 59 and name HG13
  or resid 59 and name HG12
  or resid 83 and name HG3
  ) 4.5 0.9 0.9 volume=0.158 peak=1100 ppm1=3.466 ppm2=1.273

assign ( resid 74 and name HB3
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 59 and name HG13
  or resid 83 and name HG3
  ) 4.0 0.8 0.8 volume=0.317 peak=1101 ppm1=3.339 ppm2=1.261

assign ( resid 74 and name HB2
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 97 and name HB2
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 4.0 0.8 0.8 volume=0.262 peak=1102 ppm1=3.443 ppm2=1.687

assign ( resid 74 and name HB3
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 4.1 0.8 0.8 volume=0.212 peak=1103 ppm1=3.355 ppm2=1.703

assign ( resid 74 and name HB2
  )
       ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 3.8 0.8 0.8 volume=0.366 peak=1104 ppm1=3.438 ppm2=1.924

assign ( resid 74 and name HB3
  )
       ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 4.0 0.8 0.8 volume=0.262 peak=1105 ppm1=3.346 ppm2=1.928

assign ( resid 11 and name HB3
  or resid 49 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.6 0.9 0.9 volume=0.319 peak=1106 ppm1=2.747 ppm2=0.892

assign ( resid 11 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.7 0.9 0.9 volume=0.314 peak=1107 ppm1=2.883 ppm2=0.894

assign ( resid 11 and name HB3
  or resid 49 and name HB2
  )
       ( resid 21 and name HD2#
  or resid 42 and name HG3
  or resid 60 and name HD1#
  or resid 90 and name HD1#
  ) 4.2 0.8 0.8 volume=0.383 peak=1108 ppm1=2.761 ppm2=0.759

assign ( resid 11 and name HB2
  )
       ( resid 21 and name HD2#
  or resid 42 and name HG3
  or resid 60 and name HD1#
  or resid 90 and name HD1#
  ) 4.6 0.9 0.9 volume=0.239 peak=1109 ppm1=2.872 ppm2=0.755

assign ( resid 49 and name HB3
  )
       ( resid 12 and name HD1#
  or resid 45 and name HG1#
  ) 4.7 0.9 0.9 volume=0.285 peak=1110 ppm1=3.012 ppm2=0.657

assign ( resid 49 and name HB3
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 4.0 0.8 0.8 volume=0.246 peak=1111 ppm1=2.988 ppm2=1.992

assign ( resid 11 and name HB3
  or resid 49 and name HB2
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 4.0 0.8 0.8 volume=0.260 peak=1112 ppm1=2.752 ppm2=1.996

assign ( resid 11 and name HB2
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 4.0 0.8 0.8 volume=0.266 peak=1113 ppm1=2.887 ppm2=1.781

assign ( resid 100 and name HB2
  )
       ( resid 5 and name HB2
  or resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 3.9 0.8 0.8 volume=0.285 peak=1114 ppm1=3.051 ppm2=1.944

assign ( resid 11 and name HB2
  )
       ( resid 5 and name HB2
  or resid 13 and name HG2
  or resid 13 and name HD2
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  ) 4.0 0.8 0.8 volume=0.267 peak=1115 ppm1=2.860 ppm2=1.906

assign ( resid 49 and name HB3
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 4.1 0.8 0.8 volume=0.237 peak=1116 ppm1=3.006 ppm2=2.429

assign ( resid 11 and name HB3
  or resid 49 and name HB2
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 3.8 0.8 0.8 volume=0.367 peak=1117 ppm1=2.752 ppm2=2.434

assign ( resid 11 and name HB2
  )
       ( resid 11 and name HB3
  or resid 29 and name HE3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 91 and name HB3
  or resid 95 and name HB3
  ) 3.5 0.7 0.7 volume=0.588 peak=1118 ppm1=2.888 ppm2=2.749

assign ( resid 11 and name HB3
  or resid 49 and name HB2
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.4 0.7 0.7 volume=0.751 peak=1119 ppm1=2.758 ppm2=3.015

assign ( resid 11 and name HB3
  or resid 49 and name HB2
  )
       ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 3.5 0.7 0.7 volume=0.552 peak=1120 ppm1=2.731 ppm2=2.884

assign ( resid 49 and name HB3
  )
       ( resid 11 and name HB3
  or resid 29 and name HE3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 64 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB3
  ) 3.4 0.7 0.7 volume=0.725 peak=1121 ppm1=3.005 ppm2=2.767

assign ( resid 74 and name HB2
  )
       ( resid 36 and name HB3
  or resid 58 and name HB3
  or resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 3.2 0.6 0.6 volume=0.950 peak=1122 ppm1=3.449 ppm2=3.352

assign ( resid 74 and name HB3
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  ) 3.2 0.6 0.6 volume=0.944 peak=1123 ppm1=3.343 ppm2=3.457

assign ( resid 11 and name HB3
  or resid 49 and name HB2
  )
       ( resid 2 and name HB2
  or resid 31 and name HD3
  or resid 49 and name HA
  or resid 80 and name HA1
  or resid 93 and name HA2
  or resid 93 and name HA1
  ) 3.6 0.7 0.7 volume=0.521 peak=1124 ppm1=2.770 ppm2=3.958

assign ( resid 29 and name HD3
  )
       ( resid 21 and name HD2#
  or resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  or resid 90 and name HD1#
  ) 4.5 0.9 0.9 volume=0.268 peak=1125 ppm1=1.414 ppm2=0.767

assign ( resid 11 and name HB3
  or resid 49 and name HB2
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 16 and name HA1
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 78 and name HA
  or resid 94 and name HB2
  ) 3.8 0.8 0.8 volume=0.340 peak=1126 ppm1=2.744 ppm2=3.852

assign ( resid 49 and name HB3
  )
       ( resid 2 and name HB2
  or resid 31 and name HD3
  or resid 49 and name HA
  or resid 80 and name HA1
  or resid 93 and name HA2
  or resid 93 and name HA1
  ) 3.8 0.8 0.8 volume=0.354 peak=1127 ppm1=3.005 ppm2=3.959

assign ( resid 24 and name HB3
  or resid 24 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  )
       ( resid 24 and name HN
  or resid 40 and name HN
  ) 3.0 0.6 0.6 volume=1.373 peak=1128 ppm1=2.102 ppm2=9.003

assign ( resid 24 and name HB3
  or resid 24 and name HB2
  or resid 78 and name HB3
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.7 0.7 0.7 volume=0.408 peak=1129 ppm1=2.109 ppm2=8.220

assign ( resid 24 and name HB3
  or resid 24 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.2 0.6 0.6 volume=1.023 peak=1130 ppm1=2.101 ppm2=8.399

assign ( resid 75 and name HB3
  or resid 75 and name HB2
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.3 0.7 0.7 volume=0.839 peak=1131 ppm1=2.270 ppm2=8.137

assign ( resid 78 and name HB2
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.6 0.7 0.7 volume=0.483 peak=1132 ppm1=1.644 ppm2=8.207

assign ( resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  )
       ( resid 47 and name HN
  or resid 86 and name HN
  ) 3.0 0.6 0.6 volume=1.360 peak=1133 ppm1=2.070 ppm2=8.807

assign ( resid 75 and name HB3
  or resid 75 and name HB2
  )
       ( resid 76 and name HN
  ) 3.9 0.8 0.8 volume=0.284 peak=1134 ppm1=2.270 ppm2=9.427

assign ( resid 49 and name HB3
  )
       ( resid 49 and name HN
  ) 3.7 0.7 0.7 volume=0.397 peak=1135 ppm1=3.004 ppm2=9.165

assign ( resid 74 and name HB2
  )
       ( resid 40 and name HN
  or resid 66 and name HN
  or resid 74 and name HN
  ) 3.7 0.7 0.7 volume=0.398 peak=1136 ppm1=3.466 ppm2=9.048

assign ( resid 74 and name HB3
  )
       ( resid 24 and name HN
  or resid 40 and name HN
  or resid 66 and name HN
  or resid 74 and name HN
  ) 3.6 0.7 0.7 volume=0.525 peak=1137 ppm1=3.350 ppm2=9.042

assign ( resid 74 and name HB2
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 4.0 0.8 0.8 volume=0.271 peak=1138 ppm1=3.455 ppm2=8.132

assign ( resid 74 and name HB3
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.9 0.8 0.8 volume=0.288 peak=1139 ppm1=3.327 ppm2=8.137

assign ( resid 74 and name HB2
  )
       ( resid 5 and name HE21
  or resid 29 and name HN
  or resid 54 and name HE22
  or resid 74 and name HE3
  ) 4.0 0.8 0.8 volume=0.266 peak=1140 ppm1=3.466 ppm2=7.509

assign ( resid 49 and name HB3
  )
       ( resid 4 and name HE1
  or resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 88 and name HN
  or resid 100 and name HE1
  ) 4.1 0.8 0.8 volume=0.240 peak=1141 ppm1=3.031 ppm2=7.834

assign ( resid 11 and name HB3
  or resid 49 and name HB2
  )
       ( resid 4 and name HE1
  or resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 88 and name HN
  or resid 100 and name HE1
  ) 4.0 0.8 0.8 volume=0.282 peak=1142 ppm1=2.754 ppm2=7.824

assign ( resid 24 and name HB3
  or resid 24 and name HB2
  or resid 78 and name HB3
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 44 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  or resid 95 and name HD22
  ) 3.9 0.8 0.8 volume=0.304 peak=1143 ppm1=2.095 ppm2=7.639

assign ( resid 78 and name HB3
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 16 and name HA1
  or resid 52 and name HA1
  or resid 74 and name HA
  or resid 78 and name HA
  or resid 94 and name HB2
  ) 3.7 0.7 0.7 volume=0.399 peak=1144 ppm1=2.104 ppm2=3.833

assign ( resid 78 and name HB2
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 16 and name HA1
  or resid 52 and name HA1
  or resid 74 and name HA
  or resid 76 and name HA
  or resid 78 and name HA
  or resid 94 and name HB2
  ) 3.6 0.7 0.7 volume=0.511 peak=1145 ppm1=1.631 ppm2=3.845

assign ( resid 78 and name HB3
  )
       ( resid 4 and name HB3
  or resid 13 and name HE3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.7 0.7 0.7 volume=0.401 peak=1146 ppm1=2.071 ppm2=3.037

assign ( resid 24 and name HB3
  or resid 24 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  )
       ( resid 13 and name HB2
  or resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  ) 2.3 0.5 0.5 volume=7.867 peak=1147 ppm1=2.085 ppm2=2.356

assign ( resid 24 and name HB3
  or resid 24 and name HB2
  or resid 78 and name HB3
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 99 and name HB2
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 3.5 0.7 0.7 volume=0.620 peak=1148 ppm1=2.092 ppm2=1.689

assign ( resid 78 and name HB2
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 12 and name HB2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 3.4 0.7 0.7 volume=0.747 peak=1149 ppm1=1.638 ppm2=2.088

assign ( resid 29 and name HD2
  or resid 42 and name HD3
  or resid 42 and name HD2
  )
       ( resid 19 and name HG2#
  or resid 40 and name HG3
  or resid 42 and name HG2
  ) 3.3 0.7 0.7 volume=1.022 peak=1150 ppm1=1.532 ppm2=1.170

assign ( resid 29 and name HD3
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 4.2 0.8 0.8 volume=0.373 peak=1151 ppm1=1.404 ppm2=1.024

assign ( resid 29 and name HD2
  )
       ( resid 22 and name HD2#
  or resid 29 and name HG2
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 65 and name HG2#
  or resid 70 and name HB#
  ) 4.0 0.8 0.8 volume=0.495 peak=1152 ppm1=1.491 ppm2=1.011

assign ( resid 42 and name HD3
  or resid 42 and name HD2
  )
       ( resid 9 and name HD1#
  or resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  ) 4.0 0.8 0.8 volume=0.562 peak=1153 ppm1=1.514 ppm2=0.797

assign ( resid 29 and name HD2
  )
       ( resid 29 and name HG3
  ) 4.2 0.8 0.8 volume=0.201 peak=1154 ppm1=1.507 ppm2=0.416

assign ( resid 49 and name HB2
  )
       ( resid 12 and name HD1#
  or resid 45 and name HG1#
  ) 4.7 0.9 0.9 volume=0.303 peak=1155 ppm1=2.756 ppm2=0.639

assign ( resid 75 and name HB3
  or resid 75 and name HB2
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 59 and name HG13
  or resid 83 and name HG3
  ) 3.8 0.8 0.8 volume=0.409 peak=1156 ppm1=2.261 ppm2=1.261

assign ( resid 29 and name HD2
  or resid 42 and name HD3
  or resid 42 and name HD2
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.5 0.7 0.7 volume=0.561 peak=1157 ppm1=1.524 ppm2=3.010

assign ( resid 42 and name HD3
  or resid 42 and name HD2
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 3.5 0.7 0.7 volume=0.627 peak=1158 ppm1=1.509 ppm2=2.876

assign ( resid 24 and name HB3
  or resid 24 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 24 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 52 and name HA2
  or resid 80 and name HA2
  or resid 87 and name HD2
  ) 2.8 0.6 0.6 volume=2.340 peak=1159 ppm1=2.097 ppm2=4.112

assign ( resid 75 and name HB3
  or resid 75 and name HB2
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 28 and name HA1
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  ) 3.5 0.7 0.7 volume=0.606 peak=1160 ppm1=2.275 ppm2=4.408

assign ( resid 14 and name HB2
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.2 0.6 0.6 volume=0.922 peak=1161 ppm1=2.137 ppm2=4.378

assign ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 88 and name HG2
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.6 0.7 0.7 volume=0.531 peak=1162 ppm1=1.939 ppm2=4.379

assign ( resid 5 and name HB2
  or resid 13 and name HD2
  )
       ( resid 3 and name HA
  or resid 5 and name HA
  or resid 19 and name HB
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 81 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.1 0.6 0.6 volume=1.176 peak=1163 ppm1=1.918 ppm2=4.219

assign ( resid 5 and name HB3
  )
       ( resid 3 and name HA
  or resid 5 and name HA
  or resid 19 and name HB
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 81 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.1 0.6 0.6 volume=1.198 peak=1164 ppm1=1.855 ppm2=4.221

assign ( resid 25 and name HD2
  or resid 25 and name HD3
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.3 0.7 0.7 volume=0.807 peak=1165 ppm1=1.700 ppm2=4.292

assign ( resid 25 and name HD2
  or resid 25 and name HD3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 65 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.5 0.7 0.7 volume=0.617 peak=1166 ppm1=1.711 ppm2=4.045

assign ( resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 2.8 0.6 0.6 volume=2.125 peak=1167 ppm1=2.071 ppm2=4.075

assign ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 88 and name HG2
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  ) 3.4 0.7 0.7 volume=0.751 peak=1168 ppm1=1.934 ppm2=3.187

assign ( resid 13 and name HD3
  or resid 81 and name HD3
  or resid 81 and name HD2
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  ) 3.2 0.6 0.6 volume=0.985 peak=1169 ppm1=1.811 ppm2=3.189

assign ( resid 13 and name HD3
  or resid 81 and name HD3
  or resid 81 and name HD2
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.1 0.6 0.6 volume=1.219 peak=1170 ppm1=1.807 ppm2=3.016

assign ( resid 14 and name HB3
  or resid 88 and name HG2
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  ) 2.9 0.6 0.6 volume=1.863 peak=1171 ppm1=1.987 ppm2=2.452

assign ( resid 5 and name HB2
  or resid 13 and name HD2
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 3.6 0.7 0.7 volume=0.465 peak=1172 ppm1=1.918 ppm2=2.434

assign ( resid 14 and name HB2
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 57 and name HB3
  or resid 69 and name HB2
  ) 3.0 0.6 0.6 volume=1.569 peak=1173 ppm1=2.137 ppm2=2.456

assign ( resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 27 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 68 and name HB3
  or resid 72 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 100 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 2.5 0.5 0.5 volume=4.784 peak=1174 ppm1=1.619 ppm2=2.981

assign ( resid 25 and name HD2
  or resid 25 and name HD3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  )
       ( resid 4 and name HB3
  or resid 13 and name HE3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 2.3 0.5 0.5 volume=7.598 peak=1175 ppm1=1.703 ppm2=3.035

assign ( resid 5 and name HB2
  or resid 13 and name HD2
  )
       ( resid 4 and name HB3
  or resid 13 and name HE3
  or resid 34 and name HB2
  or resid 44 and name HD3
  or resid 78 and name HD3
  or resid 100 and name HB2
  ) 3.5 0.7 0.7 volume=0.624 peak=1176 ppm1=1.923 ppm2=3.068

assign ( resid 53 and name HD2
  or resid 53 and name HD3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 78 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 1.8 0.0 0.4 volume=36.413 peak=1177 ppm1=1.701 ppm2=1.472

assign ( resid 14 and name HB2
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 44 and name HB2
  or resid 56 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 2.6 0.5 0.5 volume=3.393 peak=1178 ppm1=2.128 ppm2=1.988

assign ( resid 5 and name HB2
  or resid 13 and name HD2
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  or resid 107 and name HB
  ) 2.3 0.5 0.5 volume=6.892 peak=1179 ppm1=1.923 ppm2=2.128

assign ( resid 5 and name HB3
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  or resid 107 and name HB
  ) 2.3 0.5 0.5 volume=6.883 peak=1180 ppm1=1.869 ppm2=2.127

assign ( resid 14 and name HB3
  or resid 88 and name HG2
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 78 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  or resid 107 and name HB
  ) 2.7 0.5 0.5 volume=3.166 peak=1181 ppm1=1.987 ppm2=2.123

assign ( resid 13 and name HD3
  or resid 81 and name HD3
  or resid 81 and name HD2
  )
       ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.7 0.7 0.7 volume=1.246 peak=1182 ppm1=1.804 ppm2=0.926

assign ( resid 18 and name HB2
  )
       ( resid 12 and name HD1#
  or resid 45 and name HG1#
  ) 4.5 0.9 0.9 volume=0.368 peak=1183 ppm1=2.089 ppm2=0.640

assign ( resid 14 and name HB3
  or resid 18 and name HB3
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  ) 4.2 0.8 0.8 volume=0.563 peak=1184 ppm1=1.998 ppm2=0.636

assign ( resid 40 and name HD2
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  ) 3.2 0.6 0.6 volume=1.322 peak=1185 ppm1=1.242 ppm2=1.102

assign ( resid 40 and name HD3
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 40 and name HG3
  or resid 59 and name HG13
  or resid 83 and name HG2
  ) 3.1 0.6 0.6 volume=1.275 peak=1186 ppm1=1.093 ppm2=1.243

assign ( resid 40 and name HD2
  )
       ( resid 7 and name HB3
  or resid 23 and name HB2
  or resid 40 and name HE2
  or resid 71 and name HB3
  or resid 72 and name HB2
  ) 3.8 0.8 0.8 volume=0.350 peak=1187 ppm1=1.231 ppm2=2.606

assign ( resid 40 and name HD3
  )
       ( resid 7 and name HB3
  or resid 7 and name HB2
  or resid 23 and name HB2
  or resid 40 and name HE2
  or resid 71 and name HB3
  or resid 72 and name HB2
  or resid 98 and name HB2
  ) 3.9 0.8 0.8 volume=0.309 peak=1188 ppm1=1.087 ppm2=2.617

assign ( resid 40 and name HD3
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 3.9 0.8 0.8 volume=0.305 peak=1189 ppm1=1.091 ppm2=2.438

assign ( resid 40 and name HD2
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 4.1 0.8 0.8 volume=0.235 peak=1190 ppm1=1.234 ppm2=2.438

assign ( resid 40 and name HD3
  )
       ( resid 11 and name HA
  or resid 16 and name HA1
  or resid 74 and name HA
  or resid 78 and name HA
  or resid 94 and name HB2
  ) 4.0 0.8 0.8 volume=0.277 peak=1191 ppm1=1.090 ppm2=3.814

assign ( resid 18 and name HB3
  )
       ( resid 18 and name HN
  or resid 32 and name HN
  or resid 65 and name HN
  ) 3.5 0.7 0.7 volume=0.567 peak=1192 ppm1=2.010 ppm2=8.607

assign ( resid 14 and name HB3
  or resid 18 and name HB3
  or resid 88 and name HG2
  )
       ( resid 18 and name HN
  or resid 32 and name HN
  or resid 65 and name HN
  ) 3.7 0.7 0.7 volume=0.443 peak=1193 ppm1=1.978 ppm2=8.605

assign ( resid 18 and name HB2
  )
       ( resid 18 and name HN
  or resid 32 and name HN
  or resid 65 and name HN
  ) 3.4 0.7 0.7 volume=0.637 peak=1194 ppm1=2.077 ppm2=8.602

assign ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 88 and name HG2
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  or resid 65 and name HN
  ) 3.8 0.8 0.8 volume=0.365 peak=1195 ppm1=1.932 ppm2=8.558

assign ( resid 14 and name HB3
  or resid 18 and name HB3
  or resid 88 and name HG2
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.2 0.6 0.6 volume=1.016 peak=1196 ppm1=1.982 ppm2=8.378

assign ( resid 14 and name HB3
  or resid 18 and name HB3
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.8 0.8 0.8 volume=0.386 peak=1197 ppm1=1.990 ppm2=8.108

assign ( resid 14 and name HB3
  or resid 18 and name HB3
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 77 and name HN
  or resid 99 and name HN
  ) 3.7 0.7 0.7 volume=0.410 peak=1198 ppm1=2.008 ppm2=8.092

assign ( resid 13 and name HD3
  or resid 81 and name HD3
  or resid 81 and name HD2
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  or resid 65 and name HN
  ) 3.9 0.8 0.8 volume=0.315 peak=1199 ppm1=1.801 ppm2=8.553

assign ( resid 13 and name HD3
  or resid 81 and name HD3
  or resid 81 and name HD2
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 81 and name HN
  or resid 106 and name HN
  ) 3.7 0.7 0.7 volume=0.434 peak=1200 ppm1=1.797 ppm2=8.414

assign ( resid 25 and name HD2
  or resid 25 and name HD3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 38 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 81 and name HN
  or resid 106 and name HN
  ) 3.4 0.7 0.7 volume=0.731 peak=1201 ppm1=1.705 ppm2=8.420

assign ( resid 14 and name HB2
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.3 0.7 0.7 volume=0.864 peak=1202 ppm1=2.127 ppm2=8.378

assign ( resid 18 and name HB2
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.6 0.7 0.7 volume=0.486 peak=1203 ppm1=2.086 ppm2=8.114

assign ( resid 56 and name HD3
  or resid 56 and name HD2
  )
       ( resid 4 and name HE1
  or resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 88 and name HN
  or resid 100 and name HE1
  ) 4.0 0.8 0.8 volume=0.277 peak=1204 ppm1=1.624 ppm2=7.826

assign ( resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 83 and name HD3
  or resid 83 and name HD2
  )
       ( resid 6 and name HD#
  or resid 27 and name HN
  or resid 51 and name HE#
  or resid 57 and name HD21
  or resid 74 and name HZ3
  or resid 83 and name HN
  or resid 101 and name HD#
  ) 3.8 0.8 0.8 volume=0.425 peak=1205 ppm1=1.618 ppm2=7.216

assign ( resid 60 and name HG13
  or resid 60 and name HG12
  or resid 83 and name HD3
  or resid 83 and name HD2
  )
       ( resid 6 and name HD#
  or resid 27 and name HN
  or resid 51 and name HE#
  or resid 57 and name HD21
  or resid 74 and name HZ3
  or resid 83 and name HN
  or resid 101 and name HD#
  ) 3.8 0.8 0.8 volume=0.448 peak=1206 ppm1=1.583 ppm2=7.205

assign ( resid 60 and name HG13
  or resid 60 and name HG12
  or resid 83 and name HD3
  or resid 83 and name HD2
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 86 and name HN
  or resid 90 and name HN
  ) 3.9 0.8 0.8 volume=0.283 peak=1207 ppm1=1.571 ppm2=8.878

assign ( resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 83 and name HD3
  or resid 83 and name HD2
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 2.9 0.6 0.6 volume=1.651 peak=1208 ppm1=1.612 ppm2=4.295

assign ( resid 60 and name HG12
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.2 0.6 0.6 volume=0.960 peak=1209 ppm1=1.557 ppm2=4.289

assign ( resid 18 and name HB3
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 92 and name HA
  or resid 106 and name HA
  ) 3.5 0.7 0.7 volume=0.567 peak=1210 ppm1=1.997 ppm2=4.372

assign ( resid 18 and name HB2
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.6 0.7 0.7 volume=0.508 peak=1211 ppm1=2.074 ppm2=4.379

assign ( resid 54 and name HB3
  )
       ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 2.9 0.6 0.6 volume=1.707 peak=1212 ppm1=2.055 ppm2=2.382

assign ( resid 54 and name HB2
  )
       ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 2.9 0.6 0.6 volume=1.669 peak=1213 ppm1=2.241 ppm2=2.377

assign ( resid 54 and name HB3
  )
       ( resid 17 and name HB
  or resid 54 and name HB2
  or resid 75 and name HB3
  or resid 75 and name HB2
  or resid 87 and name HB2
  or resid 102 and name HG2
  or resid 102 and name HG3
  ) 2.7 0.5 0.5 volume=2.772 peak=1214 ppm1=2.055 ppm2=2.238

assign ( resid 54 and name HB2
  )
       ( resid 12 and name HB2
  or resid 18 and name HB2
  or resid 25 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 2.7 0.5 0.5 volume=2.521 peak=1215 ppm1=2.234 ppm2=2.063

assign ( resid 15 and name HG2
  )
       ( resid 8 and name HG
  or resid 15 and name HG3
  or resid 32 and name HG12
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 92 and name HB2
  or resid 97 and name HB2
  or resid 99 and name HB3
  ) 3.0 0.6 0.6 volume=1.529 peak=1216 ppm1=2.150 ppm2=1.643

assign ( resid 15 and name HG2
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 44 and name HB2
  or resid 56 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.5 0.7 0.7 volume=0.625 peak=1217 ppm1=2.143 ppm2=1.983

assign ( resid 15 and name HG2
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 41 and name HB3
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 103 and name HB2
  or resid 104 and name HB2
  or resid 106 and name HB2
  ) 3.4 0.7 0.7 volume=0.694 peak=1218 ppm1=2.143 ppm2=1.865

assign ( resid 41 and name HG3
  or resid 41 and name HG2
  or resid 89 and name HG12
  )
       ( resid 29 and name HD3
  or resid 40 and name HB3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.0 0.6 0.6 volume=1.621 peak=1219 ppm1=1.772 ppm2=1.407

assign ( resid 89 and name HG13
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.0 0.6 0.6 volume=1.467 peak=1220 ppm1=1.403 ppm2=1.762

assign ( resid 15 and name HG3
  or resid 31 and name HG3
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 2.9 0.6 0.6 volume=1.808 peak=1221 ppm1=1.614 ppm2=2.154

assign ( resid 31 and name HG2
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.5 0.7 0.7 volume=0.643 peak=1222 ppm1=1.712 ppm2=2.132

assign ( resid 15 and name HG3
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 3.4 0.7 0.7 volume=0.725 peak=1223 ppm1=1.624 ppm2=1.993

assign ( resid 41 and name HG3
  or resid 41 and name HG2
  or resid 89 and name HG12
  )
       ( resid 5 and name HB2
  or resid 13 and name HG2
  or resid 13 and name HD2
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  ) 2.9 0.6 0.6 volume=1.730 peak=1224 ppm1=1.789 ppm2=1.907

assign ( resid 32 and name HG12
  )
       ( resid 8 and name HD1#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.7 0.7 0.7 volume=1.245 peak=1225 ppm1=1.671 ppm2=0.931

assign ( resid 89 and name HG12
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.5 0.7 0.7 volume=1.896 peak=1226 ppm1=1.764 ppm2=0.913

assign ( resid 22 and name HG
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.3 0.7 0.7 volume=2.593 peak=1227 ppm1=1.601 ppm2=0.909

assign ( resid 89 and name HG13
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.5 0.7 0.7 volume=1.806 peak=1228 ppm1=1.402 ppm2=0.912

assign ( resid 76 and name HB2
  )
       ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 91 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 3.4 0.7 0.7 volume=0.745 peak=1229 ppm1=3.185 ppm2=2.674

assign ( resid 76 and name HB3
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  ) 3.3 0.7 0.7 volume=0.907 peak=1230 ppm1=2.668 ppm2=3.182

assign ( resid 15 and name HG3
  )
       ( resid 15 and name HD3
  or resid 43 and name HA
  ) 3.7 0.7 0.7 volume=0.436 peak=1231 ppm1=1.626 ppm2=3.591

assign ( resid 15 and name HG2
  )
       ( resid 15 and name HD3
  or resid 39 and name HD2
  or resid 39 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 3.5 0.7 0.7 volume=0.546 peak=1232 ppm1=2.155 ppm2=3.608

assign ( resid 41 and name HG3
  or resid 41 and name HG2
  )
       ( resid 36 and name HB3
  or resid 41 and name HD2
  or resid 41 and name HD3
  or resid 58 and name HB3
  or resid 74 and name HB3
  ) 3.6 0.7 0.7 volume=0.467 peak=1233 ppm1=1.795 ppm2=3.316

assign ( resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 3.3 0.7 0.7 volume=0.841 peak=1234 ppm1=1.567 ppm2=3.158

assign ( resid 76 and name HB2
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 1 and name HB3
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 78 and name HA
  or resid 94 and name HB3
  ) 3.6 0.7 0.7 volume=0.492 peak=1235 ppm1=3.184 ppm2=3.880

assign ( resid 76 and name HB3
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 1 and name HB3
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 78 and name HA
  or resid 94 and name HB3
  or resid 94 and name HB2
  ) 3.4 0.7 0.7 volume=0.656 peak=1236 ppm1=2.677 ppm2=3.877

assign ( resid 54 and name HB2
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 105 and name HA
  or resid 106 and name HA
  ) 3.4 0.7 0.7 volume=0.642 peak=1237 ppm1=2.246 ppm2=4.333

assign ( resid 15 and name HG2
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.6 0.7 0.7 volume=0.527 peak=1238 ppm1=2.152 ppm2=4.060

assign ( resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 24 and name HA
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 52 and name HA2
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 87 and name HD2
  ) 3.8 0.8 0.8 volume=0.378 peak=1239 ppm1=1.570 ppm2=4.105

assign ( resid 15 and name HG3
  or resid 32 and name HG12
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 24 and name HA
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 87 and name HD2
  or resid 88 and name HA
  ) 3.8 0.8 0.8 volume=0.381 peak=1240 ppm1=1.627 ppm2=4.087

assign ( resid 41 and name HG3
  or resid 41 and name HG2
  or resid 89 and name HG12
  )
       ( resid 41 and name HA
  or resid 64 and name HA
  or resid 73 and name HA
  or resid 87 and name HA
  ) 3.9 0.8 0.8 volume=0.330 peak=1241 ppm1=1.793 ppm2=5.084

assign ( resid 44 and name HG3
  )
       ( resid 23 and name HA
  or resid 44 and name HA
  or resid 68 and name HA
  ) 3.9 0.8 0.8 volume=0.327 peak=1242 ppm1=1.457 ppm2=5.155

assign ( resid 31 and name HG3
  or resid 44 and name HG2
  )
       ( resid 41 and name HA
  or resid 44 and name HA
  or resid 73 and name HA
  or resid 87 and name HA
  ) 3.8 0.8 0.8 volume=0.344 peak=1243 ppm1=1.577 ppm2=5.113

assign ( resid 41 and name HG3
  or resid 41 and name HG2
  )
       ( resid 14 and name HE22
  or resid 68 and name HD22
  or resid 72 and name HD#
  or resid 91 and name HD22
  or resid 100 and name HD2
  ) 3.9 0.8 0.8 volume=0.360 peak=1244 ppm1=1.793 ppm2=6.979

assign ( resid 32 and name HG12
  )
       ( resid 14 and name HE22
  or resid 71 and name HD#
  or resid 72 and name HD#
  or resid 91 and name HD22
  or resid 100 and name HD2
  ) 4.2 0.8 0.8 volume=0.238 peak=1245 ppm1=1.655 ppm2=6.969

assign ( resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  )
       ( resid 14 and name HE22
  or resid 71 and name HD#
  or resid 72 and name HD#
  or resid 91 and name HD22
  or resid 100 and name HD2
  ) 3.8 0.8 0.8 volume=0.418 peak=1246 ppm1=1.571 ppm2=6.966

assign ( resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  )
       ( resid 18 and name HN
  or resid 32 and name HN
  or resid 65 and name HN
  ) 3.7 0.7 0.7 volume=0.395 peak=1247 ppm1=1.571 ppm2=8.619

assign ( resid 32 and name HG12
  )
       ( resid 18 and name HN
  or resid 32 and name HN
  ) 3.8 0.8 0.8 volume=0.361 peak=1248 ppm1=1.670 ppm2=8.634

assign ( resid 31 and name HG2
  )
       ( resid 18 and name HN
  or resid 32 and name HN
  or resid 65 and name HN
  ) 4.0 0.8 0.8 volume=0.256 peak=1249 ppm1=1.713 ppm2=8.603

assign ( resid 76 and name HB2
  )
       ( resid 76 and name HN
  ) 3.9 0.8 0.8 volume=0.330 peak=1250 ppm1=3.174 ppm2=9.423

assign ( resid 76 and name HB3
  )
       ( resid 76 and name HN
  ) 3.6 0.7 0.7 volume=0.513 peak=1251 ppm1=2.682 ppm2=9.427

assign ( resid 76 and name HB3
  )
       ( resid 30 and name HN
  or resid 37 and name HN
  or resid 77 and name HN
  ) 3.8 0.8 0.8 volume=0.336 peak=1252 ppm1=2.681 ppm2=8.045

assign ( resid 76 and name HB2
  )
       ( resid 30 and name HN
  or resid 37 and name HN
  or resid 77 and name HN
  ) 3.9 0.8 0.8 volume=0.301 peak=1253 ppm1=3.199 ppm2=8.040

assign ( resid 89 and name HG13
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.8 0.8 0.8 volume=0.343 peak=1254 ppm1=1.391 ppm2=8.885

assign ( resid 15 and name HG3
  )
       ( resid 47 and name HN
  or resid 86 and name HN
  ) 4.0 0.8 0.8 volume=0.269 peak=1255 ppm1=1.621 ppm2=8.837

assign ( resid 41 and name HG3
  or resid 41 and name HG2
  or resid 89 and name HG12
  )
       ( resid 11 and name HN
  or resid 36 and name HN
  or resid 89 and name HN
  ) 4.1 0.8 0.8 volume=0.240 peak=1256 ppm1=1.758 ppm2=8.740

assign ( resid 89 and name HG13
  )
       ( resid 11 and name HN
  or resid 36 and name HN
  or resid 89 and name HN
  ) 3.9 0.8 0.8 volume=0.291 peak=1257 ppm1=1.396 ppm2=8.747

assign ( resid 32 and name HG13
  or resid 44 and name HG2
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 4.0 0.8 0.8 volume=0.249 peak=1258 ppm1=1.580 ppm2=8.472

assign ( resid 41 and name HG3
  or resid 41 and name HG2
  or resid 89 and name HG12
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 44 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  ) 3.9 0.8 0.8 volume=0.320 peak=1259 ppm1=1.770 ppm2=7.643

assign ( resid 32 and name HG12
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 44 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  or resid 95 and name HD22
  ) 4.0 0.8 0.8 volume=0.254 peak=1260 ppm1=1.667 ppm2=7.635

assign ( resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  )
       ( resid 41 and name HN
  or resid 44 and name HN
  or resid 79 and name HN
  or resid 84 and name HN
  or resid 88 and name HE
  or resid 95 and name HD22
  ) 3.8 0.8 0.8 volume=0.340 peak=1261 ppm1=1.575 ppm2=7.614

assign ( resid 39 and name HG2
  or resid 39 and name HG3
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 56 and name HA
  or resid 59 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 4.0 0.8 0.8 volume=0.247 peak=1262 ppm1=1.776 ppm2=4.301

assign ( resid 44 and name HG3
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 4.1 0.8 0.8 volume=0.239 peak=1263 ppm1=1.464 ppm2=4.290

assign ( resid 38 and name HG2
  or resid 38 and name HG3
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.8 0.8 0.8 volume=0.342 peak=1264 ppm1=1.694 ppm2=4.290

assign ( resid 76 and name HB2
  )
       ( resid 13 and name HG3
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 60 and name HG12
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 4.1 0.8 0.8 volume=0.234 peak=1265 ppm1=3.162 ppm2=1.524

assign ( resid 76 and name HB3
  )
       ( resid 13 and name HG3
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.7 0.7 0.7 volume=0.446 peak=1266 ppm1=2.684 ppm2=1.531

assign ( resid 76 and name HB3
  )
       ( resid 8 and name HD1#
  or resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 32 and name HD1#
  or resid 63 and name HD1#
  or resid 65 and name HG2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 89 and name HG2#
  or resid 107 and name HG2#
  ) 4.8 1.0 1.0 volume=0.242 peak=1267 ppm1=2.691 ppm2=0.948

assign ( resid 76 and name HB2
  )
       ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 29 and name HG2
  or resid 32 and name HG2#
  or resid 65 and name HG2#
  ) 4.6 0.9 0.9 volume=0.242 peak=1268 ppm1=3.191 ppm2=0.976

assign ( resid 15 and name HG3
  or resid 31 and name HG3
  )
       ( resid 43 and name HG2#
  ) 4.4 0.9 0.9 volume=0.423 peak=1269 ppm1=1.602 ppm2=-0.100

assign ( resid 31 and name HG2
  )
       ( resid 43 and name HG2#
  ) 4.4 0.9 0.9 volume=0.457 peak=1270 ppm1=1.720 ppm2=-0.105

assign ( resid 87 and name HG3
  or resid 89 and name HG13
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.7 0.7 0.7 volume=0.457 peak=1271 ppm1=1.399 ppm2=2.135

assign ( resid 89 and name HG13
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.5 0.7 0.7 volume=0.627 peak=1272 ppm1=1.418 ppm2=1.972

assign ( resid 12 and name HD2#
  or resid 90 and name HD2#
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 25 and name HG3
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.7 0.7 0.7 volume=1.268 peak=1273 ppm1=0.873 ppm2=1.462

assign ( resid 22 and name HD1#
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 3.6 0.7 0.7 volume=3.123 peak=1274 ppm1=1.356 ppm2=1.032

assign ( resid 87 and name HG3
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 106 and name HA
  ) 3.8 0.8 0.8 volume=0.371 peak=1275 ppm1=1.404 ppm2=4.379

assign ( resid 9 and name HG13
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 56 and name HA
  or resid 59 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  or resid 106 and name HA
  ) 3.6 0.7 0.7 volume=0.487 peak=1276 ppm1=1.132 ppm2=4.319

assign ( resid 22 and name HD1#
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.8 0.8 0.8 volume=1.052 peak=1277 ppm1=1.356 ppm2=4.268

assign ( resid 22 and name HG
  or resid 97 and name HG
  )
       ( resid 6 and name HN
  or resid 45 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 75 and name HN
  or resid 92 and name HN
  ) 3.9 0.8 0.8 volume=0.325 peak=1278 ppm1=1.606 ppm2=8.173

assign ( resid 22 and name HD1#
  )
       ( resid 8 and name HN
  or resid 28 and name HN
  or resid 52 and name HN
  or resid 64 and name HD21
  ) 4.0 0.8 0.8 volume=0.785 peak=1279 ppm1=1.360 ppm2=7.916

assign ( resid 22 and name HD1#
  )
       ( resid 29 and name HN
  or resid 54 and name HE22
  or resid 74 and name HE3
  or resid 74 and name HZ2
  or resid 91 and name HD21
  ) 4.2 0.8 0.8 volume=0.617 peak=1280 ppm1=1.361 ppm2=7.540

assign ( resid 87 and name HG2
  )
       ( resid 43 and name HG1#
  ) 4.4 0.9 0.9 volume=0.433 peak=1281 ppm1=2.004 ppm2=0.470

assign ( resid 87 and name HG2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.8 1.0 1.0 volume=0.263 peak=1282 ppm1=2.017 ppm2=0.905

assign ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 21 and name HD2#
  or resid 42 and name HG3
  or resid 60 and name HD1#
  or resid 90 and name HD1#
  ) 3.9 0.8 0.8 volume=0.606 peak=1283 ppm1=1.499 ppm2=0.748

assign ( resid 87 and name HG3
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  or resid 59 and name HD1#
  ) 4.7 0.9 0.9 volume=0.296 peak=1284 ppm1=1.405 ppm2=0.602

assign ( resid 22 and name HD1#
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 59 and name HD1#
  ) 4.9 1.0 1.0 volume=0.683 peak=1285 ppm1=1.344 ppm2=0.593

assign ( resid 59 and name HG13
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 59 and name HD1#
  ) 4.1 0.8 0.8 volume=0.631 peak=1286 ppm1=1.224 ppm2=0.589

assign ( resid 21 and name HG
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 59 and name HD1#
  ) 4.1 0.8 0.8 volume=0.701 peak=1287 ppm1=1.512 ppm2=0.595

assign ( resid 3 and name HG2
  or resid 92 and name HG
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  )
       ( resid 8 and name HD2#
  or resid 9 and name HG2#
  or resid 9 and name HD1#
  or resid 12 and name HD2#
  or resid 63 and name HD2#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  ) 3.1 0.6 0.6 volume=3.737 peak=1288 ppm1=1.601 ppm2=0.853

assign ( resid 9 and name HG12
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 8 and name HD2#
  or resid 9 and name HG2#
  or resid 9 and name HD1#
  or resid 12 and name HD2#
  or resid 63 and name HD2#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  ) 3.2 0.6 0.6 volume=3.165 peak=1289 ppm1=1.477 ppm2=0.853

assign ( resid 9 and name HG13
  )
       ( resid 8 and name HD2#
  or resid 9 and name HG2#
  or resid 9 and name HD1#
  or resid 63 and name HD2#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  ) 3.3 0.7 0.7 volume=2.719 peak=1290 ppm1=1.118 ppm2=0.848

assign ( resid 9 and name HG12
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 9 and name HG13
  or resid 37 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 42 and name HG2
  ) 2.8 0.6 0.6 volume=2.539 peak=1291 ppm1=1.477 ppm2=1.122

assign ( resid 39 and name HG2
  or resid 39 and name HG3
  )
       ( resid 9 and name HG13
  or resid 19 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HG2
  or resid 42 and name HG2
  ) 3.3 0.7 0.7 volume=1.001 peak=1292 ppm1=1.772 ppm2=1.140

assign ( resid 92 and name HG
  or resid 97 and name HG
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  ) 2.6 0.5 0.5 volume=3.727 peak=1293 ppm1=1.600 ppm2=3.183

assign ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 2.6 0.5 0.5 volume=3.813 peak=1294 ppm1=1.491 ppm2=3.152

assign ( resid 22 and name HG
  or resid 78 and name HG2
  or resid 97 and name HG
  )
       ( resid 58 and name HB3
  or resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 3.6 0.7 0.7 volume=0.473 peak=1295 ppm1=1.587 ppm2=3.363

assign ( resid 54 and name HB3
  )
       ( resid 9 and name HA
  or resid 14 and name HA
  or resid 25 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 106 and name HA
  ) 3.9 0.8 0.8 volume=0.286 peak=1296 ppm1=2.065 ppm2=4.338

assign ( resid 22 and name HG
  or resid 78 and name HG2
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 16 and name HA1
  or resid 52 and name HA1
  or resid 74 and name HA
  or resid 76 and name HA
  or resid 78 and name HA
  or resid 94 and name HB2
  ) 3.6 0.7 0.7 volume=0.510 peak=1297 ppm1=1.579 ppm2=3.846

assign ( resid 78 and name HG3
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 16 and name HA1
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 78 and name HA
  or resid 94 and name HB2
  ) 3.6 0.7 0.7 volume=0.497 peak=1298 ppm1=1.449 ppm2=3.852

assign ( resid 39 and name HG2
  or resid 39 and name HG3
  )
       ( resid 39 and name HD2
  or resid 39 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 3.0 0.6 0.6 volume=1.502 peak=1299 ppm1=1.776 ppm2=3.648

assign ( resid 3 and name HG2
  or resid 92 and name HG
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 56 and name HA
  or resid 59 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.1 0.6 0.6 volume=1.248 peak=1300 ppm1=1.606 ppm2=4.307

assign ( resid 13 and name HG3
  or resid 78 and name HG2
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.1 0.6 0.6 volume=1.275 peak=1301 ppm1=1.554 ppm2=4.292

assign ( resid 22 and name HD1#
  )
       ( resid 22 and name HA
  ) 4.5 0.9 0.9 volume=0.409 peak=1302 ppm1=1.359 ppm2=6.041

assign ( resid 13 and name HG2
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.8 0.8 0.8 volume=0.352 peak=1303 ppm1=1.882 ppm2=8.551

assign ( resid 3 and name HG2
  or resid 8 and name HG
  or resid 92 and name HG
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 21 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 4.0 0.8 0.8 volume=0.245 peak=1304 ppm1=1.617 ppm2=8.530

assign ( resid 9 and name HG12
  or resid 90 and name HG
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.5 0.7 0.7 volume=0.570 peak=1305 ppm1=1.464 ppm2=8.544

assign ( resid 21 and name HG
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 9 and name HN
  or resid 21 and name HN
  or resid 34 and name HN
  or resid 54 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.4 0.7 0.7 volume=0.647 peak=1306 ppm1=1.509 ppm2=8.508

assign ( resid 13 and name HG3
  or resid 21 and name HG
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 4.0 0.8 0.8 volume=0.269 peak=1307 ppm1=1.533 ppm2=8.373

assign ( resid 77 and name HB2
  or resid 77 and name HB3
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 102 and name HN
  ) 3.9 0.8 0.8 volume=0.306 peak=1308 ppm1=2.644 ppm2=8.200

assign ( resid 77 and name HB2
  or resid 77 and name HB3
  )
       ( resid 30 and name HN
  or resid 37 and name HN
  or resid 77 and name HN
  ) 3.7 0.7 0.7 volume=0.430 peak=1309 ppm1=2.645 ppm2=8.058

assign ( resid 8 and name HG
  )
       ( resid 8 and name HN
  or resid 28 and name HN
  or resid 52 and name HN
  or resid 64 and name HD21
  ) 3.5 0.7 0.7 volume=0.593 peak=1310 ppm1=1.644 ppm2=7.938

assign ( resid 9 and name HG13
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.8 0.8 0.8 volume=0.334 peak=1311 ppm1=1.138 ppm2=8.541

assign ( resid 9 and name HG13
  )
       ( resid 7 and name HN
  or resid 10 and name HN
  or resid 26 and name HN
  or resid 105 and name HN
  ) 3.9 0.8 0.8 volume=0.326 peak=1312 ppm1=1.121 ppm2=8.321

assign ( resid 21 and name HG
  or resid 90 and name HG
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.8 0.8 0.8 volume=0.346 peak=1313 ppm1=1.500 ppm2=8.885

assign ( resid 59 and name HG12
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.7 0.7 0.7 volume=0.410 peak=1314 ppm1=1.321 ppm2=8.882

assign ( resid 59 and name HG13
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 86 and name HN
  or resid 90 and name HN
  ) 4.0 0.8 0.8 volume=0.266 peak=1315 ppm1=1.234 ppm2=8.871

assign ( resid 9 and name HG12
  or resid 78 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 86 and name HN
  or resid 90 and name HN
  ) 3.7 0.7 0.7 volume=0.412 peak=1316 ppm1=1.467 ppm2=8.863

assign ( resid 13 and name HG2
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.9 0.8 0.8 volume=0.289 peak=1317 ppm1=1.858 ppm2=8.383

assign ( resid 78 and name HG3
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 102 and name HN
  or resid 104 and name HN
  ) 4.0 0.8 0.8 volume=0.251 peak=1318 ppm1=1.451 ppm2=8.204

assign ( resid 13 and name HG3
  or resid 78 and name HG2
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  ) 4.0 0.8 0.8 volume=0.260 peak=1319 ppm1=1.544 ppm2=8.198

assign ( resid 8 and name HG
  or resid 97 and name HG
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 7 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.6 0.7 0.7 volume=0.495 peak=1320 ppm1=1.630 ppm2=4.571

assign ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 69 and name HA
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.9 0.8 0.8 volume=0.321 peak=1321 ppm1=1.497 ppm2=4.565

assign ( resid 22 and name HD1#
  )
       ( resid 2 and name HA
  or resid 34 and name HA
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 4.1 0.8 0.8 volume=0.704 peak=1322 ppm1=1.354 ppm2=4.520

assign ( resid 77 and name HB2
  or resid 77 and name HB3
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.5 0.7 0.7 volume=0.576 peak=1323 ppm1=2.657 ppm2=4.273

assign ( resid 38 and name HG2
  or resid 38 and name HG3
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 59 and name HG13
  or resid 83 and name HG3
  ) 3.7 0.7 0.7 volume=0.512 peak=1324 ppm1=1.687 ppm2=1.266

assign ( resid 42 and name HG3
  )
       ( resid 19 and name HG2#
  or resid 39 and name HB3
  or resid 42 and name HG2
  ) 3.3 0.7 0.7 volume=1.154 peak=1325 ppm1=0.784 ppm2=1.165

assign ( resid 63 and name HG
  or resid 79 and name HG
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 17 and name HG2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.3 0.7 0.7 volume=2.382 peak=1326 ppm1=1.727 ppm2=0.910

assign ( resid 9 and name HG13
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 78 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 104 and name HG3
  or resid 104 and name HG2
  ) 2.7 0.5 0.5 volume=2.724 peak=1327 ppm1=1.116 ppm2=1.479

assign ( resid 42 and name HG3
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 60 and name HG12
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.3 0.7 0.7 volume=0.837 peak=1328 ppm1=0.787 ppm2=1.521

assign ( resid 8 and name HG
  or resid 38 and name HG2
  or resid 38 and name HG3
  )
       ( resid 25 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 63 and name HN
  or resid 67 and name HN
  or resid 81 and name HN
  ) 3.6 0.7 0.7 volume=0.524 peak=1329 ppm1=1.673 ppm2=8.448

assign ( resid 63 and name HG
  or resid 79 and name HG
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.4 0.7 0.7 volume=0.656 peak=1330 ppm1=1.741 ppm2=8.402

assign ( resid 21 and name HD2#
  or resid 90 and name HD1#
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  ) 4.4 0.9 0.9 volume=0.426 peak=1331 ppm1=0.729 ppm2=8.196

assign ( resid 21 and name HD2#
  or resid 90 and name HD1#
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 54 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 4.5 0.9 0.9 volume=0.388 peak=1332 ppm1=0.723 ppm2=8.493

assign ( resid 21 and name HD2#
  or resid 90 and name HD1#
  )
       ( resid 22 and name HN
  or resid 72 and name HN
  or resid 82 and name HN
  ) 4.3 0.9 0.9 volume=0.497 peak=1333 ppm1=0.722 ppm2=9.291

assign ( resid 21 and name HD2#
  or resid 90 and name HD1#
  )
       ( resid 66 and name HN
  or resid 74 and name HN
  ) 4.3 0.9 0.9 volume=0.486 peak=1334 ppm1=0.722 ppm2=9.073

assign ( resid 12 and name HD2#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  )
       ( resid 12 and name HN
  ) 4.1 0.8 0.8 volume=0.655 peak=1335 ppm1=0.881 ppm2=9.516

assign ( resid 12 and name HD2#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 86 and name HN
  or resid 90 and name HN
  ) 3.9 0.8 0.8 volume=0.876 peak=1336 ppm1=0.871 ppm2=8.868

assign ( resid 22 and name HD2#
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.8 0.8 0.8 volume=1.129 peak=1337 ppm1=1.039 ppm2=8.884

assign ( resid 12 and name HD2#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  )
       ( resid 11 and name HN
  or resid 89 and name HN
  ) 4.3 0.9 0.9 volume=0.531 peak=1338 ppm1=0.870 ppm2=8.758

assign ( resid 12 and name HD2#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  )
       ( resid 48 and name HD21
  or resid 85 and name HN
  or resid 88 and name HN
  or resid 107 and name HN
  ) 4.6 0.9 0.9 volume=0.347 peak=1339 ppm1=0.876 ppm2=7.786

assign ( resid 12 and name HD2#
  or resid 79 and name HD1#
  )
       ( resid 18 and name HE21
  or resid 68 and name HD21
  or resid 80 and name HN
  or resid 85 and name HN
  or resid 107 and name HN
  ) 4.3 0.9 0.9 volume=0.520 peak=1340 ppm1=0.910 ppm2=7.747

assign ( resid 22 and name HD2#
  )
       ( resid 22 and name HA
  ) 3.7 0.7 0.7 volume=1.180 peak=1341 ppm1=1.037 ppm2=6.033

assign ( resid 21 and name HD2#
  or resid 90 and name HD1#
  )
       ( resid 21 and name HA
  or resid 30 and name HA
  or resid 45 and name HA
  ) 4.2 0.8 0.8 volume=0.558 peak=1342 ppm1=0.723 ppm2=5.231

assign ( resid 21 and name HD2#
  or resid 90 and name HD1#
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 28 and name HA1
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  ) 4.0 0.8 0.8 volume=0.803 peak=1343 ppm1=0.726 ppm2=4.408

assign ( resid 90 and name HD2#
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 28 and name HA1
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  or resid 106 and name HA
  ) 3.8 0.8 0.8 volume=1.116 peak=1344 ppm1=0.872 ppm2=4.391

assign ( resid 12 and name HD2#
  or resid 79 and name HD1#
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.7 0.7 0.7 volume=1.279 peak=1345 ppm1=0.916 ppm2=4.265

assign ( resid 22 and name HD2#
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.8 0.8 0.8 volume=1.113 peak=1346 ppm1=1.036 ppm2=4.269

assign ( resid 12 and name HD2#
  or resid 79 and name HD1#
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 1 and name HB3
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 16 and name HA1
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 78 and name HA
  or resid 94 and name HB3
  or resid 94 and name HB2
  ) 4.0 0.8 0.8 volume=0.810 peak=1347 ppm1=0.918 ppm2=3.870

assign ( resid 90 and name HD2#
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 16 and name HA1
  or resid 52 and name HA1
  or resid 74 and name HA
  or resid 76 and name HA
  or resid 78 and name HA
  or resid 94 and name HB2
  ) 3.4 0.7 0.7 volume=2.147 peak=1348 ppm1=0.871 ppm2=3.848

assign ( resid 21 and name HD2#
  or resid 90 and name HD1#
  )
       ( resid 6 and name HB2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 76 and name HB2
  ) 4.1 0.8 0.8 volume=0.686 peak=1349 ppm1=0.732 ppm2=3.206

assign ( resid 21 and name HD2#
  or resid 90 and name HD1#
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 20 and name HA1
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  ) 4.3 0.9 0.9 volume=0.511 peak=1350 ppm1=0.722 ppm2=2.958

assign ( resid 21 and name HD2#
  or resid 90 and name HD1#
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  ) 4.3 0.9 0.9 volume=0.503 peak=1351 ppm1=0.726 ppm2=3.474

assign ( resid 21 and name HD2#
  or resid 90 and name HD1#
  )
       ( resid 12 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 40 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 4.0 0.8 0.8 volume=0.745 peak=1352 ppm1=0.725 ppm2=2.016

assign ( resid 21 and name HD2#
  or resid 90 and name HD1#
  )
       ( resid 13 and name HG3
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.2 0.6 0.6 volume=2.970 peak=1353 ppm1=0.725 ppm2=1.531

assign ( resid 12 and name HD2#
  or resid 90 and name HD2#
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.4 0.7 0.7 volume=2.075 peak=1354 ppm1=0.870 ppm2=1.574

assign ( resid 12 and name HD2#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 3.2 0.6 0.6 volume=2.886 peak=1355 ppm1=0.884 ppm2=1.777

assign ( resid 22 and name HD2#
  )
       ( resid 22 and name HD1#
  or resid 40 and name HB3
  or resid 55 and name HB#
  ) 3.6 0.7 0.7 volume=2.645 peak=1356 ppm1=1.039 ppm2=1.358

assign ( resid 12 and name HG
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.8 0.8 0.8 volume=1.093 peak=1357 ppm1=1.318 ppm2=0.895

assign ( resid 29 and name HG2
  )
       ( resid 29 and name HG3
  ) 3.2 0.6 0.6 volume=0.961 peak=1358 ppm1=0.976 ppm2=0.418

assign ( resid 22 and name HD2#
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 59 and name HD1#
  ) 5.1 1.0 1.0 volume=0.569 peak=1359 ppm1=1.044 ppm2=0.594

assign ( resid 12 and name HD2#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  )
       ( resid 12 and name HG
  or resid 22 and name HD1#
  or resid 55 and name HB#
  or resid 59 and name HG12
  or resid 83 and name HG3
  ) 3.5 0.7 0.7 volume=2.588 peak=1360 ppm1=0.883 ppm2=1.326

assign ( resid 22 and name HD2#
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.4 0.7 0.7 volume=2.265 peak=1361 ppm1=1.034 ppm2=1.578

assign ( resid 90 and name HD2#
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 4.3 0.9 0.9 volume=0.503 peak=1362 ppm1=0.871 ppm2=2.868

assign ( resid 12 and name HD2#
  or resid 79 and name HD1#
  )
       ( resid 36 and name HB2
  or resid 58 and name HB2
  or resid 61 and name HB3
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 91 and name HB3
  or resid 98 and name HB3
  ) 4.3 0.9 0.9 volume=0.475 peak=1363 ppm1=0.907 ppm2=2.700

assign ( resid 25 and name HG2
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 81 and name HN
  or resid 106 and name HN
  ) 3.3 0.7 0.7 volume=0.868 peak=1364 ppm1=1.596 ppm2=8.413

assign ( resid 25 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 25 and name HN
  or resid 38 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 81 and name HN
  or resid 106 and name HN
  ) 3.2 0.6 0.6 volume=1.052 peak=1365 ppm1=1.503 ppm2=8.422

assign ( resid 22 and name HD2#
  )
       ( resid 23 and name HN
  or resid 73 and name HN
  ) 4.5 0.9 0.9 volume=0.414 peak=1366 ppm1=1.038 ppm2=9.610

assign ( resid 29 and name HG2
  )
       ( resid 29 and name HN
  or resid 54 and name HE22
  or resid 74 and name HZ2
  or resid 84 and name HN
  or resid 91 and name HD21
  ) 3.7 0.7 0.7 volume=0.392 peak=1367 ppm1=0.992 ppm2=7.547

assign ( resid 29 and name HG3
  )
       ( resid 29 and name HN
  or resid 54 and name HE22
  or resid 74 and name HE3
  or resid 74 and name HZ2
  or resid 91 and name HD21
  ) 3.9 0.8 0.8 volume=0.311 peak=1368 ppm1=0.394 ppm2=7.537

assign ( resid 8 and name HD1#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  )
       ( resid 6 and name HD#
  or resid 51 and name HE#
  or resid 71 and name HE#
  or resid 74 and name HZ3
  or resid 74 and name HD1
  or resid 74 and name HH2
  or resid 101 and name HD#
  or resid 101 and name HZ
  ) 4.5 0.9 0.9 volume=0.519 peak=1369 ppm1=0.907 ppm2=7.265

assign ( resid 29 and name HG3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.7 0.7 0.7 volume=0.448 peak=1370 ppm1=0.391 ppm2=4.073

assign ( resid 25 and name HG2
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 56 and name HA
  or resid 59 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.4 0.7 0.7 volume=0.734 peak=1371 ppm1=1.591 ppm2=4.304

assign ( resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 81 and name HA
  or resid 102 and name HA
  ) 3.3 0.7 0.7 volume=0.806 peak=1372 ppm1=1.510 ppm2=4.189

assign ( resid 25 and name HG2
  )
       ( resid 4 and name HB3
  or resid 6 and name HB3
  or resid 13 and name HE3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.3 0.7 0.7 volume=0.772 peak=1373 ppm1=1.606 ppm2=3.029

assign ( resid 12 and name HD2#
  or resid 79 and name HD1#
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 68 and name HB3
  or resid 72 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.6 0.7 0.7 volume=1.430 peak=1374 ppm1=0.919 ppm2=2.995

assign ( resid 22 and name HD2#
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  ) 4.3 0.9 0.9 volume=0.519 peak=1375 ppm1=1.029 ppm2=2.857

assign ( resid 40 and name HG2
  )
       ( resid 12 and name HB2
  or resid 18 and name HB2
  or resid 25 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 3.9 0.8 0.8 volume=0.294 peak=1376 ppm1=1.092 ppm2=2.061

assign ( resid 22 and name HD2#
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 4.1 0.8 0.8 volume=0.761 peak=1377 ppm1=1.035 ppm2=2.132

assign ( resid 12 and name HD2#
  or resid 79 and name HD1#
  )
       ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 3.9 0.8 0.8 volume=0.890 peak=1378 ppm1=0.920 ppm2=2.399

assign ( resid 12 and name HD2#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 78 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  or resid 107 and name HB
  ) 3.7 0.7 0.7 volume=1.235 peak=1379 ppm1=0.900 ppm2=2.118

assign ( resid 8 and name HD1#
  or resid 63 and name HD1#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  )
       ( resid 8 and name HB2
  or resid 12 and name HB3
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 104 and name HB3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  or resid 106 and name HB3
  ) 2.8 0.6 0.6 volume=7.025 peak=1380 ppm1=0.924 ppm2=1.718

assign ( resid 29 and name HG3
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.9 0.8 0.8 volume=0.322 peak=1381 ppm1=0.388 ppm2=1.585

assign ( resid 25 and name HG2
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 60 and name HB
  or resid 78 and name HB3
  or resid 87 and name HB3
  or resid 107 and name HB
  ) 3.1 0.6 0.6 volume=1.307 peak=1382 ppm1=1.606 ppm2=2.104

assign ( resid 25 and name HG2
  )
       ( resid 12 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 40 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.7 0.7 0.7 volume=0.410 peak=1383 ppm1=1.598 ppm2=2.013

assign ( resid 25 and name HG2
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  or resid 106 and name HB3
  ) 2.4 0.5 0.5 volume=5.456 peak=1384 ppm1=1.598 ppm2=1.710

assign ( resid 25 and name HG2
  )
       ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 2.3 0.5 0.5 volume=7.185 peak=1385 ppm1=1.599 ppm2=1.504

assign ( resid 25 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 4 and name HB3
  or resid 6 and name HB3
  or resid 13 and name HE3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 2.7 0.5 0.5 volume=3.021 peak=1386 ppm1=1.492 ppm2=3.026

assign ( resid 8 and name HD1#
  or resid 92 and name HD1#
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  or resid 106 and name HA
  ) 3.5 0.7 0.7 volume=1.855 peak=1387 ppm1=0.899 ppm2=4.330

assign ( resid 8 and name HD1#
  or resid 63 and name HD1#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 70 and name HA
  or resid 84 and name HA
  ) 3.5 0.7 0.7 volume=1.743 peak=1388 ppm1=0.926 ppm2=4.482

assign ( resid 25 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 2.9 0.6 0.6 volume=1.944 peak=1389 ppm1=1.496 ppm2=4.291

assign ( resid 25 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 35 and name HB3
  or resid 37 and name HA
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 65 and name HA
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.1 0.6 0.6 volume=1.179 peak=1390 ppm1=1.501 ppm2=4.040

assign ( resid 8 and name HD1#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 4.0 0.8 0.8 volume=0.784 peak=1391 ppm1=0.906 ppm2=3.156

assign ( resid 83 and name HG3
  )
       ( resid 6 and name HD#
  or resid 27 and name HN
  or resid 51 and name HE#
  or resid 57 and name HD21
  or resid 74 and name HZ3
  or resid 83 and name HN
  or resid 101 and name HD#
  ) 3.6 0.7 0.7 volume=0.586 peak=1392 ppm1=1.286 ppm2=7.204

assign ( resid 83 and name HG2
  )
       ( resid 27 and name HN
  or resid 51 and name HE#
  or resid 57 and name HD21
  or resid 74 and name HZ3
  or resid 83 and name HN
  or resid 101 and name HD#
  ) 3.8 0.8 0.8 volume=0.419 peak=1393 ppm1=1.217 ppm2=7.203

assign ( resid 83 and name HG3
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 56 and name HA
  or resid 59 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.5 0.7 0.7 volume=0.569 peak=1394 ppm1=1.309 ppm2=4.306

assign ( resid 83 and name HG3
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.5 0.7 0.7 volume=0.636 peak=1395 ppm1=1.272 ppm2=4.290

assign ( resid 83 and name HG2
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.6 0.7 0.7 volume=0.526 peak=1396 ppm1=1.195 ppm2=4.290

assign ( resid 83 and name HG2
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.8 0.8 0.8 volume=0.380 peak=1397 ppm1=1.227 ppm2=4.273

assign ( resid 83 and name HG3
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 68 and name HB3
  or resid 72 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 100 and name HB3
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.7 0.7 0.7 volume=0.430 peak=1398 ppm1=1.311 ppm2=2.991

assign ( resid 83 and name HG3
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.7 0.7 0.7 volume=0.414 peak=1399 ppm1=1.281 ppm2=3.002

assign ( resid 83 and name HG3
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 40 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.3 0.7 0.7 volume=0.795 peak=1400 ppm1=1.286 ppm2=2.009

assign ( resid 83 and name HG2
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 102 and name HB2
  ) 3.5 0.7 0.7 volume=0.551 peak=1401 ppm1=1.210 ppm2=1.997

assign ( resid 8 and name HD2#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.7 0.7 0.7 volume=1.214 peak=1402 ppm1=0.832 ppm2=8.541

assign ( resid 63 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.8 0.8 0.8 volume=1.098 peak=1403 ppm1=0.885 ppm2=8.380

assign ( resid 8 and name HD2#
  or resid 92 and name HD2#
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 4.2 0.8 0.8 volume=0.553 peak=1404 ppm1=0.842 ppm2=8.251

assign ( resid 8 and name HD2#
  or resid 92 and name HD2#
  )
       ( resid 8 and name HN
  or resid 28 and name HN
  or resid 52 and name HN
  or resid 64 and name HD21
  ) 3.7 0.7 0.7 volume=1.238 peak=1405 ppm1=0.839 ppm2=7.927

assign ( resid 8 and name HD2#
  or resid 92 and name HD2#
  )
       ( resid 6 and name HE#
  or resid 51 and name HN
  or resid 51 and name HD#
  or resid 55 and name HN
  or resid 62 and name HD21
  or resid 101 and name HE#
  ) 4.2 0.8 0.8 volume=0.772 peak=1406 ppm1=0.844 ppm2=7.345

assign ( resid 8 and name HD2#
  or resid 92 and name HD2#
  )
       ( resid 14 and name HE22
  or resid 71 and name HD#
  or resid 72 and name HD#
  or resid 91 and name HD22
  or resid 100 and name HD2
  ) 4.5 0.9 0.9 volume=0.477 peak=1407 ppm1=0.830 ppm2=6.966

assign ( resid 63 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  )
       ( resid 4 and name HD2
  or resid 14 and name HE22
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 72 and name HD#
  or resid 72 and name HE#
  or resid 91 and name HD22
  or resid 95 and name HD21
  ) 4.3 0.9 0.9 volume=0.598 peak=1408 ppm1=0.883 ppm2=6.936

assign ( resid 8 and name HD2#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 7 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.2 0.6 0.6 volume=2.817 peak=1409 ppm1=0.832 ppm2=4.573

assign ( resid 63 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  ) 2.8 0.6 0.6 volume=6.408 peak=1410 ppm1=0.888 ppm2=4.476

assign ( resid 8 and name HD2#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  or resid 106 and name HA
  ) 3.2 0.6 0.6 volume=2.849 peak=1411 ppm1=0.842 ppm2=4.330

assign ( resid 63 and name HD2#
  or resid 97 and name HD1#
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  ) 4.9 1.0 1.0 volume=0.238 peak=1412 ppm1=0.890 ppm2=3.190

assign ( resid 8 and name HD2#
  or resid 92 and name HD2#
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 44 and name HD2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 3.9 0.8 0.8 volume=0.941 peak=1413 ppm1=0.845 ppm2=3.170

assign ( resid 8 and name HD2#
  or resid 92 and name HD2#
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 68 and name HB3
  or resid 72 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.8 0.8 0.8 volume=1.106 peak=1414 ppm1=0.844 ppm2=2.998

assign ( resid 63 and name HD2#
  or resid 97 and name HD1#
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.9 0.8 0.8 volume=0.848 peak=1415 ppm1=0.889 ppm2=3.013

assign ( resid 8 and name HD2#
  or resid 92 and name HD2#
  )
       ( resid 29 and name HE3
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 64 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB2
  or resid 95 and name HB3
  ) 4.1 0.8 0.8 volume=0.637 peak=1416 ppm1=0.841 ppm2=2.791

assign ( resid 63 and name HD2#
  or resid 92 and name HD1#
  or resid 92 and name HD2#
  )
       ( resid 29 and name HE3
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 64 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB2
  or resid 95 and name HB3
  ) 4.7 0.9 0.9 volume=0.317 peak=1417 ppm1=0.876 ppm2=2.789

assign ( resid 63 and name HD2#
  or resid 97 and name HD1#
  )
       ( resid 3 and name HB3
  or resid 8 and name HB2
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 2.7 0.5 0.5 volume=8.427 peak=1418 ppm1=0.888 ppm2=1.736

assign ( resid 8 and name HD2#
  or resid 92 and name HD2#
  or resid 97 and name HD2#
  )
       ( resid 3 and name HG2
  or resid 8 and name HG
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG12
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  or resid 97 and name HB2
  ) 2.5 0.5 0.5 volume=14.679 peak=1419 ppm1=0.844 ppm2=1.617

assign ( resid 21 and name HD1#
  )
       ( resid 13 and name HG3
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 60 and name HG12
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.1 0.6 0.6 volume=3.581 peak=1420 ppm1=0.594 ppm2=1.522

assign ( resid 21 and name HD1#
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 4.4 0.9 0.9 volume=0.458 peak=1421 ppm1=0.587 ppm2=2.161

assign ( resid 21 and name HD1#
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 20 and name HA1
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  ) 4.3 0.9 0.9 volume=0.503 peak=1422 ppm1=0.592 ppm2=2.953

assign ( resid 21 and name HD1#
  )
       ( resid 2 and name HA
  or resid 34 and name HA
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.5 0.7 0.7 volume=1.754 peak=1423 ppm1=0.595 ppm2=4.529

assign ( resid 21 and name HD1#
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 28 and name HA1
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  or resid 106 and name HA
  ) 3.9 0.8 0.8 volume=0.863 peak=1424 ppm1=0.586 ppm2=4.390

assign ( resid 21 and name HD1#
  )
       ( resid 3 and name HA
  or resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 81 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 4.3 0.9 0.9 volume=0.495 peak=1425 ppm1=0.599 ppm2=4.213

assign ( resid 21 and name HD1#
  )
       ( resid 21 and name HA
  or resid 30 and name HA
  or resid 45 and name HA
  ) 3.4 0.7 0.7 volume=2.088 peak=1426 ppm1=0.593 ppm2=5.248

assign ( resid 21 and name HD1#
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 54 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.6 0.7 0.7 volume=1.557 peak=1427 ppm1=0.593 ppm2=8.491

assign ( resid 21 and name HD1#
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.9 0.8 0.8 volume=0.962 peak=1428 ppm1=0.588 ppm2=8.226

assign ( resid 21 and name HD1#
  )
       ( resid 22 and name HN
  or resid 82 and name HN
  ) 3.9 0.8 0.8 volume=0.945 peak=1429 ppm1=0.591 ppm2=9.288

assign ( resid 19 and name HG2#
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 3.9 0.8 0.8 volume=0.925 peak=1430 ppm1=1.169 ppm2=8.481

assign ( resid 19 and name HG2#
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  or resid 64 and name HD21
  or resid 101 and name HN
  ) 3.9 0.8 0.8 volume=0.985 peak=1431 ppm1=1.176 ppm2=7.990

assign ( resid 19 and name HG2#
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.6 0.7 0.7 volume=1.475 peak=1432 ppm1=1.169 ppm2=8.116

assign ( resid 37 and name HG2#
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  or resid 37 and name HN
  or resid 77 and name HN
  or resid 101 and name HN
  ) 3.8 0.8 0.8 volume=1.011 peak=1433 ppm1=1.093 ppm2=8.026

assign ( resid 37 and name HG1#
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.8 0.8 0.8 volume=0.998 peak=1434 ppm1=1.258 ppm2=8.134

assign ( resid 37 and name HG1#
  )
       ( resid 25 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 63 and name HN
  or resid 67 and name HN
  or resid 81 and name HN
  ) 3.7 0.7 0.7 volume=1.216 peak=1435 ppm1=1.259 ppm2=8.449

assign ( resid 37 and name HG1#
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  or resid 37 and name HN
  or resid 77 and name HN
  or resid 101 and name HN
  ) 4.1 0.8 0.8 volume=0.660 peak=1436 ppm1=1.261 ppm2=8.023

assign ( resid 37 and name HG1#
  )
       ( resid 40 and name HN
  or resid 66 and name HN
  or resid 74 and name HN
  ) 3.9 0.8 0.8 volume=0.850 peak=1437 ppm1=1.262 ppm2=9.046

assign ( resid 65 and name HG1#
  )
       ( resid 66 and name HN
  or resid 74 and name HN
  ) 3.5 0.7 0.7 volume=1.649 peak=1438 ppm1=1.046 ppm2=9.064

assign ( resid 65 and name HG1#
  )
       ( resid 13 and name HN
  or resid 18 and name HN
  or resid 32 and name HN
  or resid 58 and name HN
  or resid 65 and name HN
  ) 3.1 0.6 0.6 volume=3.853 peak=1439 ppm1=1.045 ppm2=8.589

assign ( resid 19 and name HG2#
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 92 and name HA
  or resid 106 and name HA
  ) 4.2 0.8 0.8 volume=0.555 peak=1440 ppm1=1.169 ppm2=4.375

assign ( resid 19 and name HG2#
  )
       ( resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 58 and name HA
  or resid 81 and name HA
  or resid 102 and name HA
  ) 3.4 0.7 0.7 volume=2.146 peak=1441 ppm1=1.170 ppm2=4.198

assign ( resid 37 and name HG2#
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 56 and name HA
  or resid 59 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.9 0.8 0.8 volume=0.874 peak=1442 ppm1=1.093 ppm2=4.310

assign ( resid 37 and name HG2#
  )
       ( resid 37 and name HA
  or resid 53 and name HA
  or resid 65 and name HA
  or resid 80 and name HA1
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.3 0.7 0.7 volume=2.525 peak=1443 ppm1=1.090 ppm2=4.026

assign ( resid 21 and name HD1#
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  ) 4.9 1.0 1.0 volume=0.245 peak=1444 ppm1=0.597 ppm2=3.461

assign ( resid 21 and name HD1#
  )
       ( resid 6 and name HB2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 76 and name HB2
  ) 4.4 0.9 0.9 volume=0.437 peak=1445 ppm1=0.596 ppm2=3.210

assign ( resid 19 and name HG2#
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 44 and name HD2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  ) 4.6 0.9 0.9 volume=0.325 peak=1446 ppm1=1.162 ppm2=3.180

assign ( resid 19 and name HG2#
  )
       ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 4.5 0.9 0.9 volume=0.374 peak=1447 ppm1=1.157 ppm2=2.881

assign ( resid 19 and name HG2#
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 4.5 0.9 0.9 volume=0.410 peak=1448 ppm1=1.172 ppm2=2.441

assign ( resid 19 and name HG2#
  )
       ( resid 3 and name HD3
  or resid 32 and name HB
  or resid 44 and name HD3
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 4.6 0.9 0.9 volume=0.344 peak=1449 ppm1=1.165 ppm2=3.122

assign ( resid 19 and name HG2#
  )
       ( resid 23 and name HA
  or resid 44 and name HA
  ) 4.6 0.9 0.9 volume=0.362 peak=1450 ppm1=1.172 ppm2=5.146

assign ( resid 19 and name HG2#
  )
       ( resid 19 and name HA
  or resid 71 and name HA
  ) 3.9 0.8 0.8 volume=0.939 peak=1451 ppm1=1.165 ppm2=5.000

assign ( resid 90 and name HD1#
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 86 and name HN
  or resid 90 and name HN
  ) 3.8 0.8 0.8 volume=1.128 peak=1452 ppm1=0.744 ppm2=8.879

assign ( resid 90 and name HD1#
  )
       ( resid 7 and name HN
  or resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 91 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  or resid 105 and name HN
  ) 4.3 0.9 0.9 volume=0.516 peak=1453 ppm1=0.741 ppm2=8.261

assign ( resid 90 and name HD1#
  )
       ( resid 48 and name HD21
  or resid 85 and name HN
  or resid 88 and name HN
  ) 4.5 0.9 0.9 volume=0.397 peak=1454 ppm1=0.743 ppm2=7.792

assign ( resid 90 and name HD1#
  )
       ( resid 11 and name HN
  or resid 36 and name HN
  or resid 89 and name HN
  ) 3.9 0.8 0.8 volume=0.898 peak=1455 ppm1=0.739 ppm2=8.744

assign ( resid 37 and name HG2#
  )
       ( resid 36 and name HN
  ) 4.6 0.9 0.9 volume=0.336 peak=1456 ppm1=1.089 ppm2=8.713

assign ( resid 37 and name HG2#
  )
       ( resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 3.9 0.8 0.8 volume=0.925 peak=1457 ppm1=1.093 ppm2=8.455

assign ( resid 17 and name HG2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  )
       ( resid 18 and name HE21
  or resid 68 and name HD21
  or resid 80 and name HN
  or resid 107 and name HN
  ) 4.8 1.0 1.0 volume=0.277 peak=1458 ppm1=0.922 ppm2=7.725

assign ( resid 79 and name HD2#
  )
       ( resid 18 and name HE21
  or resid 68 and name HD21
  or resid 80 and name HN
  or resid 107 and name HN
  ) 3.9 0.8 0.8 volume=0.938 peak=1459 ppm1=0.873 ppm2=7.730

assign ( resid 79 and name HD2#
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  ) 3.8 0.8 0.8 volume=1.147 peak=1460 ppm1=0.876 ppm2=7.646

assign ( resid 43 and name HG1#
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 4.1 0.8 0.8 volume=0.640 peak=1461 ppm1=0.455 ppm2=8.132

assign ( resid 43 and name HG1#
  )
       ( resid 8 and name HN
  or resid 20 and name HN
  or resid 64 and name HD21
  or resid 101 and name HN
  ) 4.5 0.9 0.9 volume=0.396 peak=1462 ppm1=0.449 ppm2=7.975

assign ( resid 43 and name HG1#
  )
       ( resid 44 and name HN
  or resid 84 and name HN
  or resid 88 and name HE
  or resid 91 and name HD21
  or resid 95 and name HD22
  ) 4.2 0.8 0.8 volume=0.551 peak=1463 ppm1=0.460 ppm2=7.598

assign ( resid 43 and name HG1#
  )
       ( resid 4 and name HD2
  or resid 14 and name HE22
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 72 and name HE#
  or resid 95 and name HD21
  ) 4.4 0.9 0.9 volume=0.518 peak=1464 ppm1=0.458 ppm2=6.921

assign ( resid 65 and name HG1#
  )
       ( resid 41 and name HA
  or resid 64 and name HA
  ) 3.8 0.8 0.8 volume=1.075 peak=1465 ppm1=1.045 ppm2=5.051

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 28 and name HA1
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  ) 4.3 0.9 0.9 volume=0.535 peak=1466 ppm1=0.919 ppm2=4.409

assign ( resid 43 and name HG1#
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  or resid 106 and name HA
  ) 4.6 0.9 0.9 volume=0.349 peak=1467 ppm1=0.455 ppm2=4.381

assign ( resid 37 and name HG1#
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 56 and name HA
  or resid 59 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 4.5 0.9 0.9 volume=0.377 peak=1468 ppm1=1.263 ppm2=4.307

assign ( resid 79 and name HD2#
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 2.8 0.6 0.6 volume=6.127 peak=1469 ppm1=0.874 ppm2=4.271

assign ( resid 43 and name HG1#
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 4.7 0.9 0.9 volume=0.315 peak=1470 ppm1=0.457 ppm2=4.267

assign ( resid 37 and name HG1#
  )
       ( resid 37 and name HA
  or resid 53 and name HA
  or resid 65 and name HA
  or resid 80 and name HA1
  or resid 88 and name HA
  or resid 107 and name HA
  ) 3.6 0.7 0.7 volume=1.397 peak=1471 ppm1=1.256 ppm2=4.022

assign ( resid 43 and name HG1#
  )
       ( resid 12 and name HA
  or resid 15 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 4.1 0.8 0.8 volume=0.644 peak=1472 ppm1=0.457 ppm2=3.726

assign ( resid 90 and name HD1#
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 16 and name HA1
  or resid 52 and name HA1
  or resid 74 and name HA
  or resid 76 and name HA
  or resid 78 and name HA
  or resid 94 and name HB2
  ) 3.6 0.7 0.7 volume=1.442 peak=1473 ppm1=0.746 ppm2=3.849

assign ( resid 90 and name HD1#
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 28 and name HA1
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  ) 3.0 0.6 0.6 volume=4.204 peak=1474 ppm1=0.746 ppm2=4.396

assign ( resid 65 and name HG1#
  )
       ( resid 37 and name HA
  or resid 53 and name HA
  or resid 65 and name HA
  or resid 80 and name HA1
  or resid 93 and name HA2
  ) 3.3 0.7 0.7 volume=2.434 peak=1475 ppm1=1.039 ppm2=4.004

assign ( resid 19 and name HG2#
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 16 and name HA2
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 4.2 0.8 0.8 volume=0.568 peak=1476 ppm1=1.171 ppm2=4.546

assign ( resid 43 and name HG1#
  )
       ( resid 24 and name HA
  or resid 52 and name HA2
  or resid 87 and name HD2
  ) 4.3 0.9 0.9 volume=0.481 peak=1477 ppm1=0.451 ppm2=4.136

assign ( resid 43 and name HG1#
  )
       ( resid 15 and name HD3
  or resid 39 and name HD2
  or resid 39 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 4.0 0.8 0.8 volume=0.805 peak=1478 ppm1=0.456 ppm2=3.620

assign ( resid 12 and name HD1#
  )
       ( resid 12 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  ) 3.3 0.7 0.7 volume=2.353 peak=1479 ppm1=0.617 ppm2=3.753

assign ( resid 12 and name HD1#
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 56 and name HA
  or resid 59 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  or resid 106 and name HA
  ) 5.6 1.1 1.1 volume=0.100 peak=1480 ppm1=0.623 ppm2=4.319

assign ( resid 12 and name HD1#
  )
       ( resid 41 and name HA
  or resid 64 and name HA
  or resid 73 and name HA
  or resid 87 and name HA
  ) 4.5 0.9 0.9 volume=0.365 peak=1481 ppm1=0.619 ppm2=5.086

assign ( resid 43 and name HG1#
  )
       ( resid 19 and name HA
  or resid 64 and name HA
  or resid 71 and name HA
  ) 4.7 0.9 0.9 volume=0.299 peak=1482 ppm1=0.456 ppm2=5.016

assign ( resid 37 and name HG1#
  )
       ( resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  ) 4.0 0.8 0.8 volume=0.813 peak=1483 ppm1=1.257 ppm2=3.438

assign ( resid 37 and name HG1#
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 44 and name HD2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  ) 4.6 0.9 0.9 volume=0.356 peak=1484 ppm1=1.255 ppm2=3.180

assign ( resid 65 and name HG1#
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 27 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 68 and name HB3
  or resid 72 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 100 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 4.2 0.8 0.8 volume=0.621 peak=1485 ppm1=1.044 ppm2=2.976

assign ( resid 37 and name HG1#
  )
       ( resid 15 and name HG2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB2
  or resid 102 and name HG2
  or resid 102 and name HG3
  ) 3.4 0.7 0.7 volume=2.014 peak=1486 ppm1=1.258 ppm2=2.187

assign ( resid 37 and name HG1#
  )
       ( resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 99 and name HB2
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 4.0 0.8 0.8 volume=0.772 peak=1487 ppm1=1.259 ppm2=1.693

assign ( resid 65 and name HG1#
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 2.8 0.6 0.6 volume=6.873 peak=1488 ppm1=1.043 ppm2=2.001

assign ( resid 79 and name HD2#
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 2.9 0.6 0.6 volume=5.192 peak=1489 ppm1=0.874 ppm2=1.764

assign ( resid 43 and name HG1#
  )
       ( resid 43 and name HG2#
  ) 4.0 0.8 0.8 volume=2.206 peak=1490 ppm1=0.454 ppm2=-0.109

assign ( resid 37 and name HG1#
  )
       ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 4.0 0.8 0.8 volume=0.757 peak=1491 ppm1=1.260 ppm2=1.913

assign ( resid 65 and name HG1#
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 4.1 0.8 0.8 volume=0.706 peak=1492 ppm1=1.048 ppm2=1.789

assign ( resid 65 and name HG1#
  )
       ( resid 8 and name HG
  or resid 15 and name HG3
  or resid 32 and name HG12
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 92 and name HB2
  or resid 97 and name HB2
  or resid 99 and name HB3
  ) 3.8 0.8 0.8 volume=1.048 peak=1493 ppm1=1.042 ppm2=1.642

assign ( resid 79 and name HD2#
  )
       ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.7 0.7 0.7 volume=1.239 peak=1494 ppm1=0.873 ppm2=1.502

assign ( resid 43 and name HG1#
  )
       ( resid 13 and name HG3
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.7 0.7 0.7 volume=1.298 peak=1495 ppm1=0.459 ppm2=1.530

assign ( resid 12 and name HD1#
  )
       ( resid 12 and name HG
  or resid 55 and name HB#
  or resid 59 and name HG12
  or resid 83 and name HG3
  ) 3.3 0.7 0.7 volume=2.887 peak=1496 ppm1=0.624 ppm2=1.315

assign ( resid 12 and name HD1#
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 3.4 0.7 0.7 volume=2.038 peak=1497 ppm1=0.622 ppm2=1.784

assign ( resid 90 and name HD1#
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 38 and name HB2
  or resid 39 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 83 and name HB2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 4.4 0.9 0.9 volume=0.473 peak=1498 ppm1=0.743 ppm2=1.954

assign ( resid 90 and name HD1#
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 78 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 4.8 1.0 1.0 volume=0.269 peak=1499 ppm1=0.743 ppm2=1.489

assign ( resid 12 and name HD1#
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 78 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  or resid 107 and name HB
  ) 3.6 0.7 0.7 volume=1.478 peak=1500 ppm1=0.625 ppm2=2.124

assign ( resid 12 and name HD1#
  )
       ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 91 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 3.5 0.7 0.7 volume=1.835 peak=1501 ppm1=0.622 ppm2=2.678

assign ( resid 12 and name HD1#
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 4.3 0.9 0.9 volume=0.534 peak=1502 ppm1=0.624 ppm2=2.438

assign ( resid 12 and name HD1#
  )
       ( resid 10 and name HG3
  or resid 34 and name HB3
  or resid 40 and name HE2
  ) 4.4 0.9 0.9 volume=0.424 peak=1503 ppm1=0.616 ppm2=2.570

assign ( resid 12 and name HD1#
  )
       ( resid 12 and name HN
  ) 3.6 0.7 0.7 volume=1.397 peak=1504 ppm1=0.621 ppm2=9.518

assign ( resid 12 and name HD1#
  )
       ( resid 47 and name HN
  or resid 86 and name HN
  ) 4.3 0.9 0.9 volume=0.539 peak=1505 ppm1=0.622 ppm2=8.835

assign ( resid 12 and name HD1#
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 4.5 0.9 0.9 volume=0.394 peak=1506 ppm1=0.623 ppm2=8.549

assign ( resid 12 and name HD1#
  )
       ( resid 7 and name HN
  or resid 10 and name HN
  or resid 26 and name HN
  or resid 105 and name HN
  ) 4.4 0.9 0.9 volume=0.433 peak=1507 ppm1=0.622 ppm2=8.324

assign ( resid 12 and name HD1#
  )
       ( resid 68 and name HD21
  or resid 80 and name HN
  or resid 85 and name HN
  or resid 107 and name HN
  ) 4.5 0.9 0.9 volume=0.382 peak=1508 ppm1=0.621 ppm2=7.763

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.5 0.7 0.7 volume=1.890 peak=1509 ppm1=0.956 ppm2=8.222

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  )
       ( resid 23 and name HA
  or resid 44 and name HA
  or resid 68 and name HA
  ) 4.0 0.8 0.8 volume=0.801 peak=1510 ppm1=0.923 ppm2=5.176

assign ( resid 45 and name HG2#
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.8 0.8 0.8 volume=1.075 peak=1511 ppm1=0.794 ppm2=1.966

assign ( resid 45 and name HG2#
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 3.5 0.7 0.7 volume=1.619 peak=1512 ppm1=0.797 ppm2=2.431

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  )
       ( resid 17 and name HB
  or resid 54 and name HB2
  or resid 75 and name HB3
  or resid 75 and name HB2
  ) 2.8 0.6 0.6 volume=6.530 peak=1513 ppm1=0.958 ppm2=2.263

assign ( resid 17 and name HG2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  )
       ( resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB2
  or resid 87 and name HB3
  or resid 102 and name HG3
  ) 2.8 0.6 0.6 volume=6.590 peak=1514 ppm1=0.921 ppm2=2.179

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 65 and name HG2#
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 2.8 0.6 0.6 volume=6.529 peak=1515 ppm1=0.967 ppm2=2.001

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 65 and name HG2#
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 76 and name HB2
  ) 4.2 0.8 0.8 volume=0.594 peak=1516 ppm1=0.966 ppm2=3.195

assign ( resid 45 and name HG2#
  )
       ( resid 20 and name HA1
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  ) 3.9 0.8 0.8 volume=0.930 peak=1517 ppm1=0.797 ppm2=2.941

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 65 and name HG2#
  )
       ( resid 37 and name HA
  or resid 53 and name HA
  or resid 65 and name HA
  or resid 80 and name HA1
  or resid 93 and name HA2
  ) 3.4 0.7 0.7 volume=2.101 peak=1518 ppm1=0.970 ppm2=4.002

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 65 and name HG2#
  )
       ( resid 3 and name HA
  or resid 5 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.2 0.6 0.6 volume=3.129 peak=1519 ppm1=0.953 ppm2=4.258

assign ( resid 45 and name HG2#
  )
       ( resid 21 and name HA
  or resid 45 and name HA
  ) 3.5 0.7 0.7 volume=1.646 peak=1520 ppm1=0.797 ppm2=5.272

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 65 and name HG2#
  )
       ( resid 13 and name HN
  or resid 18 and name HN
  or resid 32 and name HN
  or resid 58 and name HN
  or resid 65 and name HN
  ) 3.4 0.7 0.7 volume=2.155 peak=1521 ppm1=0.969 ppm2=8.590

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 65 and name HG2#
  )
       ( resid 66 and name HN
  or resid 74 and name HN
  ) 3.4 0.7 0.7 volume=2.076 peak=1522 ppm1=0.971 ppm2=9.068

assign ( resid 43 and name HG2#
  )
       ( resid 22 and name HN
  or resid 72 and name HN
  ) 4.0 0.8 0.8 volume=0.824 peak=1523 ppm1=-0.115 ppm2=9.327

assign ( resid 43 and name HG2#
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 86 and name HN
  or resid 90 and name HN
  ) 4.5 0.9 0.9 volume=0.369 peak=1524 ppm1=-0.111 ppm2=8.880

assign ( resid 43 and name HG2#
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.6 0.7 0.7 volume=1.525 peak=1525 ppm1=-0.115 ppm2=8.126

assign ( resid 43 and name HG2#
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  or resid 37 and name HN
  or resid 101 and name HN
  ) 4.5 0.9 0.9 volume=0.380 peak=1526 ppm1=-0.121 ppm2=7.997

assign ( resid 43 and name HG2#
  )
       ( resid 41 and name HN
  or resid 44 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  or resid 88 and name HE
  or resid 95 and name HD22
  ) 4.6 0.9 0.9 volume=0.363 peak=1527 ppm1=-0.115 ppm2=7.622

assign ( resid 45 and name HG2#
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.9 0.8 0.8 volume=0.985 peak=1528 ppm1=0.798 ppm2=8.136

assign ( resid 45 and name HG2#
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  or resid 64 and name HD21
  or resid 101 and name HN
  ) 4.3 0.9 0.9 volume=0.519 peak=1529 ppm1=0.795 ppm2=7.991

assign ( resid 45 and name HG2#
  )
       ( resid 48 and name HD21
  or resid 85 and name HN
  or resid 88 and name HN
  or resid 107 and name HN
  ) 4.3 0.9 0.9 volume=0.513 peak=1530 ppm1=0.795 ppm2=7.789

assign ( resid 70 and name HB#
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 4.1 0.8 0.8 volume=0.631 peak=1531 ppm1=1.012 ppm2=8.134

assign ( resid 43 and name HG2#
  )
       ( resid 14 and name HE22
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 72 and name HD#
  or resid 91 and name HD22
  or resid 95 and name HD21
  or resid 100 and name HD2
  ) 4.2 0.8 0.8 volume=0.670 peak=1532 ppm1=-0.122 ppm2=6.952

assign ( resid 43 and name HG2#
  )
       ( resid 23 and name HA
  or resid 30 and name HA
  or resid 68 and name HA
  ) 4.7 0.9 0.9 volume=0.291 peak=1533 ppm1=-0.100 ppm2=5.207

assign ( resid 43 and name HG2#
  )
       ( resid 19 and name HA
  or resid 71 and name HA
  ) 3.8 0.8 0.8 volume=0.995 peak=1534 ppm1=-0.116 ppm2=5.013

assign ( resid 43 and name HG2#
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 24 and name HA
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 52 and name HA2
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 87 and name HD2
  or resid 88 and name HA
  ) 4.5 0.9 0.9 volume=0.387 peak=1535 ppm1=-0.120 ppm2=4.090

assign ( resid 43 and name HG2#
  )
       ( resid 12 and name HA
  or resid 15 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 4.0 0.8 0.8 volume=0.825 peak=1536 ppm1=-0.115 ppm2=3.730

assign ( resid 43 and name HG2#
  )
       ( resid 15 and name HD3
  or resid 39 and name HD2
  or resid 39 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 3.9 0.8 0.8 volume=0.968 peak=1537 ppm1=-0.124 ppm2=3.606

assign ( resid 43 and name HG2#
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 4.5 0.9 0.9 volume=0.378 peak=1538 ppm1=-0.121 ppm2=1.990

assign ( resid 43 and name HG2#
  )
       ( resid 8 and name HB2
  or resid 12 and name HB3
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 103 and name HB3
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  or resid 106 and name HB3
  ) 4.0 0.8 0.8 volume=0.808 peak=1539 ppm1=-0.113 ppm2=1.724

assign ( resid 43 and name HG2#
  )
       ( resid 13 and name HG3
  or resid 21 and name HG
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 22 and name HB3
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HB3
  ) 3.4 0.7 0.7 volume=2.066 peak=1540 ppm1=-0.114 ppm2=1.553

assign ( resid 43 and name HG2#
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 3.8 0.8 0.8 volume=2.170 peak=1541 ppm1=-0.114 ppm2=1.023

assign ( resid 43 and name HG2#
  )
       ( resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  ) 5.0 1.0 1.0 volume=0.393 peak=1542 ppm1=-0.112 ppm2=0.794

assign ( resid 43 and name HG2#
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 59 and name HD1#
  ) 4.5 0.9 0.9 volume=1.168 peak=1543 ppm1=-0.113 ppm2=0.590

assign ( resid 43 and name HG2#
  )
       ( resid 43 and name HG1#
  ) 4.2 0.8 0.8 volume=1.752 peak=1544 ppm1=-0.113 ppm2=0.459

assign ( resid 70 and name HB#
  )
       ( resid 43 and name HG2#
  ) 4.3 0.9 0.9 volume=1.639 peak=1545 ppm1=1.016 ppm2=-0.108

assign ( resid 70 and name HB#
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 59 and name HD1#
  ) 4.3 0.9 0.9 volume=1.537 peak=1546 ppm1=1.017 ppm2=0.594

assign ( resid 70 and name HB#
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.5 0.7 0.7 volume=1.710 peak=1547 ppm1=1.016 ppm2=1.572

assign ( resid 70 and name HB#
  )
       ( resid 22 and name HD1#
  or resid 40 and name HB3
  or resid 55 and name HB#
  or resid 87 and name HG3
  ) 3.8 0.8 0.8 volume=1.508 peak=1548 ppm1=1.011 ppm2=1.368

assign ( resid 70 and name HB#
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 4.5 0.9 0.9 volume=0.377 peak=1549 ppm1=1.016 ppm2=4.265

assign ( resid 70 and name HB#
  )
       ( resid 2 and name HA
  or resid 34 and name HA
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.5 0.7 0.7 volume=1.646 peak=1550 ppm1=1.016 ppm2=4.526

assign ( resid 43 and name HG2#
  )
       ( resid 1 and name HB3
  or resid 2 and name HB2
  or resid 31 and name HD3
  or resid 49 and name HA
  or resid 93 and name HA2
  or resid 93 and name HA1
  ) 4.9 1.0 1.0 volume=0.244 peak=1551 ppm1=-0.119 ppm2=3.946

assign ( resid 43 and name HG2#
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 34 and name HA
  or resid 69 and name HA
  or resid 70 and name HA
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 4.8 1.0 1.0 volume=0.277 peak=1552 ppm1=-0.108 ppm2=4.535

assign ( resid 43 and name HG2#
  )
       ( resid 7 and name HB3
  or resid 7 and name HB2
  or resid 23 and name HB2
  or resid 40 and name HE2
  or resid 58 and name HB2
  or resid 71 and name HB3
  or resid 72 and name HB2
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 4.4 0.9 0.9 volume=0.432 peak=1553 ppm1=-0.110 ppm2=2.627

assign ( resid 43 and name HG2#
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 4.9 1.0 1.0 volume=0.244 peak=1554 ppm1=-0.121 ppm2=2.148

assign ( resid 70 and name HB#
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 86 and name HN
  or resid 90 and name HN
  ) 4.0 0.8 0.8 volume=0.815 peak=1555 ppm1=1.014 ppm2=8.873

assign ( resid 70 and name HB#
  )
       ( resid 16 and name HN
  or resid 17 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.6 0.7 0.7 volume=1.399 peak=1556 ppm1=1.017 ppm2=8.231

assign ( resid 70 and name HB#
  )
       ( resid 22 and name HN
  or resid 72 and name HN
  ) 4.6 0.9 0.9 volume=0.355 peak=1557 ppm1=1.015 ppm2=9.307

assign ( resid 55 and name HB#
  )
       ( resid 6 and name HE#
  or resid 51 and name HN
  or resid 51 and name HD#
  or resid 55 and name HN
  or resid 62 and name HD21
  or resid 101 and name HZ
  ) 3.1 0.6 0.6 volume=4.112 peak=1558 ppm1=1.339 ppm2=7.323

assign ( resid 70 and name HB#
  )
       ( resid 21 and name HA
  or resid 30 and name HA
  or resid 45 and name HA
  ) 4.7 0.9 0.9 volume=0.316 peak=1559 ppm1=1.009 ppm2=5.240

assign ( resid 55 and name HB#
  )
       ( resid 4 and name HE1
  or resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 88 and name HN
  or resid 100 and name HE1
  ) 3.9 0.8 0.8 volume=0.954 peak=1560 ppm1=1.337 ppm2=7.845

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 91 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 98 and name HN
  or resid 102 and name HN
  or resid 103 and name HN
  or resid 104 and name HN
  ) 3.1 0.6 0.6 volume=3.770 peak=1561 ppm1=0.942 ppm2=8.217

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 89 and name HG2#
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  ) 3.3 0.7 0.7 volume=2.482 peak=1562 ppm1=0.907 ppm2=8.194

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 67 and name HG1#
  )
       ( resid 18 and name HN
  or resid 32 and name HN
  or resid 65 and name HN
  ) 3.4 0.7 0.7 volume=2.241 peak=1563 ppm1=0.945 ppm2=8.603

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 3.3 0.7 0.7 volume=2.337 peak=1564 ppm1=0.908 ppm2=8.479

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  )
       ( resid 24 and name HN
  or resid 40 and name HN
  ) 3.5 0.7 0.7 volume=1.865 peak=1565 ppm1=0.906 ppm2=9.007

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  )
       ( resid 23 and name HA
  or resid 44 and name HA
  or resid 68 and name HA
  ) 3.4 0.7 0.7 volume=2.182 peak=1566 ppm1=0.907 ppm2=5.173

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 28 and name HA1
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  ) 3.0 0.6 0.6 volume=4.400 peak=1567 ppm1=0.906 ppm2=4.410

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 67 and name HG1#
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  or resid 106 and name HA
  ) 3.7 0.7 0.7 volume=1.230 peak=1568 ppm1=0.945 ppm2=4.386

assign ( resid 55 and name HB#
  )
       ( resid 40 and name HA
  or resid 51 and name HA
  or resid 57 and name HA
  or resid 61 and name HA
  ) 4.2 0.8 0.8 volume=0.575 peak=1569 ppm1=1.344 ppm2=4.783

assign ( resid 55 and name HB#
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 1 and name HB3
  or resid 2 and name HB3
  or resid 2 and name HB2
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 94 and name HB3
  ) 4.2 0.8 0.8 volume=0.567 peak=1570 ppm1=1.334 ppm2=3.898

assign ( resid 55 and name HB#
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 2.9 0.6 0.6 volume=5.076 peak=1571 ppm1=1.334 ppm2=4.064

assign ( resid 55 and name HB#
  )
       ( resid 3 and name HA
  or resid 5 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 32 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  or resid 103 and name HA
  ) 3.4 0.7 0.7 volume=2.015 peak=1572 ppm1=1.334 ppm2=4.246

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  )
       ( resid 24 and name HA
  or resid 31 and name HD2
  or resid 52 and name HA2
  or resid 80 and name HA2
  or resid 87 and name HD2
  ) 3.4 0.7 0.7 volume=1.913 peak=1573 ppm1=0.908 ppm2=4.121

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.4 0.7 0.7 volume=2.232 peak=1574 ppm1=0.934 ppm2=4.270

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 11 and name HA
  or resid 16 and name HA1
  or resid 74 and name HA
  or resid 78 and name HA
  or resid 94 and name HB2
  ) 4.0 0.8 0.8 volume=0.775 peak=1575 ppm1=0.941 ppm2=3.824

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  ) 3.6 0.7 0.7 volume=1.449 peak=1576 ppm1=0.903 ppm2=3.468

assign ( resid 55 and name HB#
  )
       ( resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 27 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 68 and name HB3
  or resid 72 and name HB3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 100 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 4.4 0.9 0.9 volume=0.441 peak=1577 ppm1=1.338 ppm2=2.981

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  )
       ( resid 6 and name HB2
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 46 and name HB2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 76 and name HB2
  ) 4.3 0.9 0.9 volume=0.531 peak=1578 ppm1=0.905 ppm2=3.209

assign ( resid 55 and name HB#
  )
       ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 4.3 0.9 0.9 volume=0.510 peak=1579 ppm1=1.340 ppm2=2.375

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  )
       ( resid 13 and name HB2
  or resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG2
  ) 3.3 0.7 0.7 volume=2.468 peak=1580 ppm1=0.942 ppm2=2.364

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  )
       ( resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 47 and name HG3
  or resid 47 and name HG2
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 3.0 0.6 0.6 volume=4.060 peak=1581 ppm1=0.906 ppm2=2.373

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  )
       ( resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB2
  or resid 87 and name HB3
  or resid 102 and name HG3
  ) 2.9 0.6 0.6 volume=5.672 peak=1582 ppm1=0.905 ppm2=2.176

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  )
       ( resid 17 and name HB
  or resid 54 and name HB2
  or resid 75 and name HB3
  or resid 75 and name HB2
  ) 2.7 0.5 0.5 volume=8.327 peak=1583 ppm1=0.939 ppm2=2.273

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 89 and name HG2#
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 38 and name HB2
  or resid 39 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 83 and name HB2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.2 0.6 0.6 volume=3.293 peak=1584 ppm1=0.919 ppm2=1.955

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 89 and name HG2#
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 3.5 0.7 0.7 volume=1.814 peak=1585 ppm1=0.916 ppm2=1.763

assign ( resid 32 and name HG2#
  )
       ( resid 8 and name HG
  or resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 78 and name HB2
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 97 and name HB2
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 3.7 0.7 0.7 volume=1.238 peak=1586 ppm1=0.954 ppm2=1.669

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 89 and name HG2#
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.6 0.7 0.7 volume=1.598 peak=1587 ppm1=0.914 ppm2=1.599

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 89 and name HG2#
  )
       ( resid 8 and name HB3
  or resid 29 and name HD3
  or resid 44 and name HG3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.4 0.7 0.7 volume=2.173 peak=1588 ppm1=0.916 ppm2=1.425

assign ( resid 32 and name HG2#
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HB3
  ) 3.4 0.7 0.7 volume=2.035 peak=1589 ppm1=0.952 ppm2=1.560

assign ( resid 32 and name HG2#
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  ) 3.7 0.7 0.7 volume=1.264 peak=1590 ppm1=0.954 ppm2=1.791

assign ( resid 32 and name HG2#
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 60 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.7 0.7 0.7 volume=1.282 peak=1591 ppm1=0.952 ppm2=2.146

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  )
       ( resid 7 and name HB3
  or resid 7 and name HB2
  or resid 23 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 71 and name HB3
  or resid 72 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 3.8 0.8 0.8 volume=1.013 peak=1592 ppm1=0.908 ppm2=2.644

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 89 and name HG2#
  )
       ( resid 20 and name HA1
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  ) 3.9 0.8 0.8 volume=0.967 peak=1593 ppm1=0.904 ppm2=2.929

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 89 and name HG2#
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 86 and name HN
  or resid 90 and name HN
  ) 4.3 0.9 0.9 volume=0.476 peak=1594 ppm1=0.914 ppm2=8.874

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 89 and name HG2#
  )
       ( resid 11 and name HN
  or resid 36 and name HN
  or resid 89 and name HN
  ) 4.0 0.8 0.8 volume=0.781 peak=1595 ppm1=0.917 ppm2=8.746

assign ( resid 32 and name HG2#
  )
       ( resid 3 and name HD3
  or resid 32 and name HB
  or resid 44 and name HD3
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 3.4 0.7 0.7 volume=2.141 peak=1596 ppm1=0.948 ppm2=3.125

assign ( resid 32 and name HG2#
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 4.0 0.8 0.8 volume=0.812 peak=1597 ppm1=0.952 ppm2=3.007

assign ( resid 32 and name HG2#
  )
       ( resid 3 and name HA
  or resid 5 and name HA
  or resid 19 and name HB
  or resid 27 and name HA
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 81 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.4 0.7 0.7 volume=1.983 peak=1598 ppm1=0.950 ppm2=4.218

assign ( resid 32 and name HG2#
  )
       ( resid 14 and name HE21
  or resid 33 and name HN
  or resid 41 and name HN
  or resid 57 and name HN
  or resid 79 and name HN
  ) 4.0 0.8 0.8 volume=0.814 peak=1599 ppm1=0.953 ppm2=7.665

assign ( resid 59 and name HG2#
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 54 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 93 and name HN
  ) 3.8 0.8 0.8 volume=1.064 peak=1600 ppm1=1.075 ppm2=8.490

assign ( resid 32 and name HG2#
  )
       ( resid 18 and name HN
  or resid 32 and name HN
  or resid 65 and name HN
  ) 4.3 0.9 0.9 volume=0.503 peak=1601 ppm1=0.958 ppm2=8.626

assign ( resid 59 and name HG2#
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 86 and name HN
  or resid 90 and name HN
  ) 3.6 0.7 0.7 volume=1.384 peak=1602 ppm1=1.079 ppm2=8.879

assign ( resid 59 and name HG2#
  )
       ( resid 20 and name HN
  or resid 30 and name HN
  or resid 64 and name HD21
  or resid 101 and name HN
  ) 4.6 0.9 0.9 volume=0.334 peak=1603 ppm1=1.073 ppm2=7.990

assign ( resid 59 and name HG2#
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 85 and name HA2
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 105 and name HA
  or resid 106 and name HA
  ) 3.6 0.7 0.7 volume=1.430 peak=1604 ppm1=1.078 ppm2=4.332

assign ( resid 59 and name HG2#
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 4.3 0.9 0.9 volume=0.510 peak=1605 ppm1=1.081 ppm2=4.057

assign ( resid 59 and name HG2#
  )
       ( resid 3 and name HA
  or resid 5 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 32 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  or resid 103 and name HA
  ) 3.7 0.7 0.7 volume=1.242 peak=1606 ppm1=1.069 ppm2=4.250

assign ( resid 9 and name HG2#
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 56 and name HA
  or resid 59 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.0 0.6 0.6 volume=4.164 peak=1607 ppm1=0.876 ppm2=4.309

assign ( resid 59 and name HG2#
  )
       ( resid 20 and name HA1
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 83 and name HE3
  or resid 83 and name HE2
  ) 4.1 0.8 0.8 volume=0.680 peak=1608 ppm1=1.074 ppm2=2.931

assign ( resid 59 and name HG2#
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 38 and name HB2
  or resid 39 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 83 and name HB2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.4 0.7 0.7 volume=1.942 peak=1609 ppm1=1.074 ppm2=1.955

assign ( resid 59 and name HG2#
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 59 and name HD1#
  ) 3.9 0.8 0.8 volume=2.707 peak=1610 ppm1=1.076 ppm2=0.591

assign ( resid 9 and name HG2#
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 21 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.6 0.7 0.7 volume=1.372 peak=1611 ppm1=0.874 ppm2=8.538

assign ( resid 9 and name HG2#
  )
       ( resid 7 and name HN
  or resid 10 and name HN
  or resid 26 and name HN
  or resid 105 and name HN
  ) 3.4 0.7 0.7 volume=2.147 peak=1612 ppm1=0.869 ppm2=8.316

assign ( resid 60 and name HG2#
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.3 0.7 0.7 volume=2.448 peak=1613 ppm1=0.890 ppm2=2.135

assign ( resid 9 and name HG2#
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 2.9 0.6 0.6 volume=5.174 peak=1614 ppm1=0.874 ppm2=1.778

assign ( resid 9 and name HG2#
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 78 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.1 0.6 0.6 volume=3.778 peak=1615 ppm1=0.874 ppm2=1.478

assign ( resid 9 and name HG2#
  )
       ( resid 9 and name HG13
  or resid 37 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HG2
  or resid 42 and name HG2
  ) 3.2 0.6 0.6 volume=3.419 peak=1616 ppm1=0.876 ppm2=1.128

assign ( resid 60 and name HG2#
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.6 0.7 0.7 volume=1.531 peak=1617 ppm1=0.888 ppm2=1.578

assign ( resid 9 and name HG2#
  or resid 60 and name HG2#
  )
       ( resid 6 and name HB2
  or resid 26 and name HB2
  or resid 33 and name HB2
  or resid 36 and name HB3
  or resid 41 and name HD2
  or resid 41 and name HD3
  or resid 82 and name HA
  ) 4.1 0.8 0.8 volume=0.674 peak=1618 ppm1=0.892 ppm2=3.275

assign ( resid 9 and name HG2#
  or resid 60 and name HG2#
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 44 and name HD2
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  ) 4.7 0.9 0.9 volume=0.300 peak=1619 ppm1=0.887 ppm2=3.181

assign ( resid 60 and name HG2#
  )
       ( resid 26 and name HB3
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 57 and name HB2
  or resid 64 and name HB3
  or resid 64 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  ) 4.3 0.9 0.9 volume=0.475 peak=1620 ppm1=0.896 ppm2=2.832

assign ( resid 9 and name HG2#
  )
       ( resid 7 and name HB3
  or resid 7 and name HB2
  or resid 23 and name HB2
  or resid 40 and name HE2
  or resid 71 and name HB3
  or resid 72 and name HB2
  or resid 98 and name HB2
  ) 4.5 0.9 0.9 volume=0.403 peak=1621 ppm1=0.870 ppm2=2.618

assign ( resid 45 and name HG1#
  )
       ( resid 39 and name HD2
  or resid 39 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 3.6 0.7 0.7 volume=1.430 peak=1622 ppm1=0.636 ppm2=3.639

assign ( resid 45 and name HG1#
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 1 and name HB3
  or resid 2 and name HB3
  or resid 2 and name HB2
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 94 and name HB3
  ) 3.9 0.8 0.8 volume=0.873 peak=1623 ppm1=0.634 ppm2=3.898

assign ( resid 60 and name HG2#
  )
       ( resid 3 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.2 0.6 0.6 volume=3.273 peak=1624 ppm1=0.891 ppm2=4.265

assign ( resid 45 and name HG1#
  )
       ( resid 3 and name HA
  or resid 5 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 32 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  or resid 103 and name HA
  ) 3.7 0.7 0.7 volume=1.349 peak=1625 ppm1=0.638 ppm2=4.244

assign ( resid 45 and name HG1#
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 24 and name HA
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 52 and name HA2
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 87 and name HD2
  or resid 88 and name HA
  ) 4.4 0.9 0.9 volume=0.474 peak=1626 ppm1=0.638 ppm2=4.090

assign ( resid 45 and name HG1#
  )
       ( resid 21 and name HA
  or resid 45 and name HA
  ) 3.7 0.7 0.7 volume=1.263 peak=1627 ppm1=0.636 ppm2=5.274

assign ( resid 45 and name HG1#
  )
       ( resid 19 and name HA
  or resid 46 and name HA
  or resid 71 and name HA
  ) 4.4 0.9 0.9 volume=0.428 peak=1628 ppm1=0.645 ppm2=4.990

assign ( resid 45 and name HG1#
  )
       ( resid 23 and name HA
  or resid 44 and name HA
  ) 4.5 0.9 0.9 volume=0.372 peak=1629 ppm1=0.635 ppm2=5.150

assign ( resid 60 and name HG2#
  )
       ( resid 6 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 75 and name HN
  ) 3.7 0.7 0.7 volume=1.170 peak=1630 ppm1=0.891 ppm2=8.166

assign ( resid 45 and name HG1#
  )
       ( resid 19 and name HN
  or resid 43 and name HN
  or resid 45 and name HN
  or resid 75 and name HN
  or resid 99 and name HN
  ) 3.3 0.7 0.7 volume=2.521 peak=1631 ppm1=0.639 ppm2=8.134

assign ( resid 45 and name HG1#
  )
       ( resid 4 and name HE1
  or resid 48 and name HD21
  or resid 50 and name HN
  or resid 56 and name HN
  or resid 62 and name HN
  or resid 100 and name HE1
  ) 4.0 0.8 0.8 volume=0.785 peak=1632 ppm1=0.641 ppm2=7.855

assign ( resid 45 and name HG1#
  )
       ( resid 46 and name HN
  ) 4.0 0.8 0.8 volume=0.792 peak=1633 ppm1=0.638 ppm2=9.738

assign ( resid 60 and name HG2#
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 3.6 0.7 0.7 volume=1.408 peak=1634 ppm1=0.889 ppm2=8.883

assign ( resid 10 and name HE#
  )
       ( resid 7 and name HN
  or resid 10 and name HN
  or resid 26 and name HN
  or resid 105 and name HN
  ) 3.6 0.7 0.7 volume=1.589 peak=1635 ppm1=2.128 ppm2=8.320

assign ( resid 10 and name HE#
  )
       ( resid 41 and name HA
  or resid 64 and name HA
  or resid 73 and name HA
  or resid 87 and name HA
  ) 3.2 0.6 0.6 volume=3.237 peak=1636 ppm1=2.128 ppm2=5.095

assign ( resid 10 and name HE#
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 56 and name HA
  or resid 59 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.6 0.7 0.7 volume=1.363 peak=1637 ppm1=2.127 ppm2=4.303

assign ( resid 10 and name HE#
  )
       ( resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 58 and name HA
  or resid 81 and name HA
  or resid 102 and name HA
  ) 3.5 0.7 0.7 volume=1.745 peak=1638 ppm1=2.124 ppm2=4.202

assign ( resid 45 and name HG1#
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 3.3 0.7 0.7 volume=2.459 peak=1639 ppm1=0.637 ppm2=2.424

assign ( resid 45 and name HG1#
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.6 0.7 0.7 volume=1.516 peak=1640 ppm1=0.637 ppm2=1.999

!Commented out D. Neuhaus  29-11-07
!assign ( resid 45 and name HG1#
!  )
!       ( resid 12 and name HG
!  or resid 22 and name HD1#
!  or resid 40 and name HB3
!  or resid 55 and name HB#
!  or resid 59 and name HG12
!  ) 4.7 0.9 0.9 volume=0.417 peak=1641 ppm1=0.634 ppm2=1.346

assign ( resid 45 and name HG1#
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 4.0 0.8 0.8 volume=0.738 peak=1642 ppm1=0.632 ppm2=3.009

assign ( resid 45 and name HG1#
  )
       ( resid 11 and name HB3
  or resid 29 and name HE3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB3
  ) 4.1 0.8 0.8 volume=0.638 peak=1643 ppm1=0.639 ppm2=2.762

assign ( resid 45 and name HG1#
  )
       ( resid 49 and name HN
  ) 4.6 0.9 0.9 volume=0.361 peak=1644 ppm1=0.633 ppm2=9.203

assign ( resid 45 and name HG1#
  )
       ( resid 18 and name HN
  or resid 32 and name HN
  or resid 65 and name HN
  ) 4.5 0.9 0.9 volume=0.365 peak=1645 ppm1=0.638 ppm2=8.610

assign ( resid 59 and name HD1#
  )
       ( resid 43 and name HG2#
  ) 4.9 1.0 1.0 volume=0.701 peak=1646 ppm1=0.578 ppm2=-0.108

assign ( resid 59 and name HD1#
  )
       ( resid 21 and name HB3
  or resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 40 and name HD3
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 3.3 0.7 0.7 volume=4.172 peak=1647 ppm1=0.583 ppm2=1.046

assign ( resid 59 and name HD1#
  )
       ( resid 8 and name HB2
  or resid 12 and name HB3
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 31 and name HG2
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 103 and name HB3
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  or resid 106 and name HB3
  ) 4.2 0.8 0.8 volume=0.625 peak=1648 ppm1=0.577 ppm2=1.721

assign ( resid 59 and name HD1#
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.7 0.7 0.7 volume=1.265 peak=1649 ppm1=0.580 ppm2=1.580

assign ( resid 59 and name HD1#
  )
       ( resid 12 and name HG
  or resid 22 and name HD1#
  or resid 40 and name HB3
  or resid 55 and name HB#
  or resid 59 and name HG12
  ) 3.6 0.7 0.7 volume=2.116 peak=1650 ppm1=0.581 ppm2=1.344

assign ( resid 59 and name HD1#
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 40 and name HG3
  or resid 59 and name HG13
  or resid 83 and name HG2
  ) 3.7 0.7 0.7 volume=1.455 peak=1651 ppm1=0.577 ppm2=1.240

assign ( resid 59 and name HD1#
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.8 0.8 0.8 volume=1.097 peak=1652 ppm1=0.582 ppm2=2.135

assign ( resid 59 and name HD1#
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 39 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.5 0.7 0.7 volume=1.796 peak=1653 ppm1=0.583 ppm2=1.960

assign ( resid 59 and name HD1#
  )
       ( resid 20 and name HA1
  or resid 27 and name HB2
  or resid 56 and name HE3
  or resid 56 and name HE2
  or resid 68 and name HB3
  or resid 83 and name HE3
  or resid 83 and name HE2
  ) 4.0 0.8 0.8 volume=0.742 peak=1654 ppm1=0.585 ppm2=2.932

assign ( resid 59 and name HD1#
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.8 0.8 0.8 volume=1.080 peak=1655 ppm1=0.580 ppm2=4.296

assign ( resid 59 and name HD1#
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 4.1 0.8 0.8 volume=0.637 peak=1656 ppm1=0.583 ppm2=4.068

assign ( resid 59 and name HD1#
  )
       ( resid 45 and name HA
  ) 4.8 1.0 1.0 volume=0.253 peak=1657 ppm1=0.591 ppm2=5.296

assign ( resid 59 and name HD1#
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 86 and name HN
  or resid 90 and name HN
  ) 4.2 0.8 0.8 volume=0.605 peak=1658 ppm1=0.580 ppm2=8.874

assign ( resid 59 and name HD1#
  )
       ( resid 11 and name HN
  or resid 89 and name HN
  ) 4.8 1.0 1.0 volume=0.269 peak=1659 ppm1=0.581 ppm2=8.774

assign ( resid 59 and name HD1#
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 4.3 0.9 0.9 volume=0.508 peak=1660 ppm1=0.583 ppm2=8.483

assign ( resid 59 and name HD1#
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 70 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  or resid 96 and name HN
  or resid 97 and name HN
  or resid 102 and name HN
  or resid 104 and name HN
  ) 4.8 1.0 1.0 volume=0.251 peak=1661 ppm1=0.579 ppm2=8.205

assign ( resid 59 and name HD1#
  )
       ( resid 8 and name HN
  or resid 20 and name HN
  or resid 64 and name HD21
  or resid 101 and name HN
  ) 4.8 1.0 1.0 volume=0.272 peak=1662 ppm1=0.584 ppm2=7.977

assign ( resid 59 and name HD1#
  )
       ( resid 48 and name HD21
  or resid 85 and name HN
  or resid 88 and name HN
  ) 4.7 0.9 0.9 volume=0.301 peak=1663 ppm1=0.598 ppm2=7.795

assign ( resid 59 and name HD1#
  )
       ( resid 15 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 4.8 1.0 1.0 volume=0.257 peak=1664 ppm1=0.584 ppm2=3.709

assign ( resid 59 and name HD1#
  )
       ( resid 1 and name HB3
  or resid 2 and name HB2
  or resid 31 and name HD3
  or resid 49 and name HA
  or resid 93 and name HA2
  or resid 93 and name HA1
  or resid 94 and name HB3
  ) 4.7 0.9 0.9 volume=0.281 peak=1665 ppm1=0.576 ppm2=3.937

assign ( resid 60 and name HD1#
  )
       ( resid 22 and name HD2#
  or resid 29 and name HB3
  or resid 65 and name HG1#
  or resid 70 and name HB#
  ) 3.5 0.7 0.7 volume=3.655 peak=1666 ppm1=0.782 ppm2=1.031

assign ( resid 60 and name HD1#
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.6 0.7 0.7 volume=4.617 peak=1667 ppm1=0.778 ppm2=0.902

assign ( resid 60 and name HD1#
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.3 0.7 0.7 volume=2.492 peak=1668 ppm1=0.781 ppm2=1.581

assign ( resid 60 and name HD1#
  )
       ( resid 22 and name HD1#
  or resid 40 and name HB3
  or resid 55 and name HB#
  or resid 87 and name HG3
  ) 4.0 0.8 0.8 volume=1.154 peak=1669 ppm1=0.779 ppm2=1.367

assign ( resid 60 and name HD1#
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.6 0.7 0.7 volume=1.659 peak=1670 ppm1=0.777 ppm2=2.137

assign ( resid 60 and name HD1#
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 5 and name HB2
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 82 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  or resid 106 and name HB2
  ) 4.3 0.9 0.9 volume=0.491 peak=1671 ppm1=0.775 ppm2=1.889

assign ( resid 60 and name HD1#
  )
       ( resid 26 and name HB2
  or resid 33 and name HB2
  or resid 36 and name HB3
  or resid 41 and name HD2
  or resid 41 and name HD3
  or resid 82 and name HA
  ) 4.0 0.8 0.8 volume=0.797 peak=1672 ppm1=0.778 ppm2=3.279

assign ( resid 60 and name HD1#
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 57 and name HB2
  or resid 64 and name HB3
  or resid 64 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  ) 4.1 0.8 0.8 volume=0.685 peak=1673 ppm1=0.780 ppm2=2.839

assign ( resid 60 and name HD1#
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.4 0.7 0.7 volume=2.196 peak=1674 ppm1=0.778 ppm2=4.287

assign ( resid 60 and name HD1#
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 24 and name HA
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 87 and name HD2
  or resid 88 and name HA
  ) 4.0 0.8 0.8 volume=0.748 peak=1675 ppm1=0.785 ppm2=4.087

assign ( resid 60 and name HD1#
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 4.1 0.8 0.8 volume=0.640 peak=1676 ppm1=0.778 ppm2=8.887

assign ( resid 60 and name HD1#
  )
       ( resid 6 and name HN
  or resid 17 and name HN
  or resid 45 and name HN
  or resid 61 and name HN
  or resid 68 and name HN
  or resid 78 and name HN
  or resid 92 and name HN
  ) 4.4 0.9 0.9 volume=0.437 peak=1677 ppm1=0.787 ppm2=8.185

assign ( resid 60 and name HD1#
  )
       ( resid 29 and name HN
  or resid 54 and name HE22
  or resid 74 and name HZ2
  or resid 84 and name HN
  or resid 91 and name HD21
  ) 4.4 0.9 0.9 volume=0.417 peak=1678 ppm1=0.780 ppm2=7.549

assign ( resid 9 and name HD1#
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 3.7 0.7 0.7 volume=1.228 peak=1679 ppm1=0.827 ppm2=8.542

assign ( resid 9 and name HD1#
  )
       ( resid 7 and name HN
  or resid 10 and name HN
  or resid 26 and name HN
  or resid 105 and name HN
  ) 3.7 0.7 0.7 volume=1.348 peak=1680 ppm1=0.824 ppm2=8.319

assign ( resid 9 and name HD1#
  )
       ( resid 29 and name HN
  or resid 44 and name HN
  or resid 74 and name HZ2
  or resid 84 and name HN
  or resid 91 and name HD21
  or resid 95 and name HD22
  ) 4.8 1.0 1.0 volume=0.254 peak=1681 ppm1=0.826 ppm2=7.567

assign ( resid 9 and name HD1#
  )
       ( resid 6 and name HD#
  or resid 51 and name HE#
  or resid 71 and name HE#
  or resid 74 and name HZ3
  or resid 74 and name HD1
  or resid 74 and name HH2
  or resid 101 and name HD#
  ) 4.8 1.0 1.0 volume=0.352 peak=1682 ppm1=0.823 ppm2=7.244

assign ( resid 9 and name HD1#
  )
       ( resid 14 and name HE22
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 72 and name HD#
  or resid 91 and name HD22
  or resid 100 and name HD2
  ) 4.6 0.9 0.9 volume=0.401 peak=1683 ppm1=0.824 ppm2=6.959

assign ( resid 9 and name HD1#
  )
       ( resid 9 and name HA
  or resid 25 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 39 and name HA
  or resid 54 and name HA
  or resid 56 and name HA
  or resid 59 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 92 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  or resid 106 and name HA
  ) 3.4 0.7 0.7 volume=1.944 peak=1684 ppm1=0.823 ppm2=4.318

assign ( resid 9 and name HD1#
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 7 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 4.3 0.9 0.9 volume=0.492 peak=1685 ppm1=0.829 ppm2=4.584

assign ( resid 9 and name HD1#
  )
       ( resid 11 and name HB3
  or resid 29 and name HE3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB3
  ) 4.2 0.8 0.8 volume=0.628 peak=1686 ppm1=0.824 ppm2=2.756

assign ( resid 9 and name HD1#
  )
       ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 61 and name HB3
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 91 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 4.1 0.8 0.8 volume=0.719 peak=1687 ppm1=0.823 ppm2=2.686

assign ( resid 9 and name HD1#
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 3.1 0.6 0.6 volume=3.770 peak=1688 ppm1=0.825 ppm2=1.777

assign ( resid 9 and name HD1#
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 4.6 0.9 0.9 volume=0.343 peak=1689 ppm1=0.830 ppm2=2.134

assign ( resid 9 and name HD1#
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.8 0.8 0.8 volume=1.145 peak=1690 ppm1=0.824 ppm2=1.587

assign ( resid 9 and name HD1#
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 21 and name HG
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 78 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 2.7 0.5 0.5 volume=7.601 peak=1691 ppm1=0.823 ppm2=1.475

assign ( resid 9 and name HD1#
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 39 and name HB3
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 42 and name HG2
  ) 2.8 0.6 0.6 volume=6.748 peak=1692 ppm1=0.821 ppm2=1.118

assign ( resid 89 and name HD1#
  )
       ( resid 29 and name HD3
  or resid 40 and name HB3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.3 0.7 0.7 volume=2.511 peak=1693 ppm1=0.904 ppm2=1.412

assign ( resid 89 and name HD1#
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 3.3 0.7 0.7 volume=2.429 peak=1694 ppm1=0.906 ppm2=1.775

assign ( resid 89 and name HD1#
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.6 0.7 0.7 volume=1.460 peak=1695 ppm1=0.901 ppm2=2.134

assign ( resid 89 and name HD1#
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 39 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.7 0.7 0.7 volume=1.280 peak=1696 ppm1=0.902 ppm2=1.960

assign ( resid 89 and name HD1#
  )
       ( resid 10 and name HG3
  or resid 34 and name HB3
  or resid 40 and name HE2
  ) 4.3 0.9 0.9 volume=0.507 peak=1697 ppm1=0.897 ppm2=2.557

assign ( resid 89 and name HD1#
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 4.2 0.8 0.8 volume=0.558 peak=1698 ppm1=0.898 ppm2=2.439

assign ( resid 89 and name HD1#
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 90 and name HA
  or resid 92 and name HA
  or resid 106 and name HA
  ) 3.8 0.8 0.8 volume=1.153 peak=1699 ppm1=0.901 ppm2=4.369

assign ( resid 89 and name HD1#
  )
       ( resid 59 and name HN
  or resid 60 and name HN
  or resid 71 and name HN
  or resid 90 and name HN
  ) 4.3 0.9 0.9 volume=0.482 peak=1700 ppm1=0.909 ppm2=8.882

assign ( resid 89 and name HD1#
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 4.9 1.0 1.0 volume=0.242 peak=1701 ppm1=0.883 ppm2=8.546

assign ( resid 89 and name HD1#
  )
       ( resid 7 and name HN
  or resid 10 and name HN
  or resid 16 and name HN
  or resid 26 and name HN
  or resid 98 and name HN
  or resid 100 and name HN
  or resid 105 and name HN
  ) 4.6 0.9 0.9 volume=0.320 peak=1702 ppm1=0.901 ppm2=8.293

assign ( resid 89 and name HD1#
  )
       ( resid 11 and name HN
  or resid 89 and name HN
  ) 4.0 0.8 0.8 volume=0.748 peak=1703 ppm1=0.901 ppm2=8.754

assign ( resid 32 and name HD1#
  )
       ( resid 18 and name HN
  or resid 32 and name HN
  or resid 65 and name HN
  ) 4.4 0.9 0.9 volume=0.446 peak=1704 ppm1=0.929 ppm2=8.617

assign ( resid 32 and name HD1#
  )
       ( resid 25 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 63 and name HN
  or resid 67 and name HN
  or resid 81 and name HN
  ) 4.6 0.9 0.9 volume=0.335 peak=1705 ppm1=0.905 ppm2=8.449

assign ( resid 32 and name HD1#
  )
       ( resid 4 and name HD2
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 72 and name HE#
  or resid 95 and name HD21
  ) 3.9 0.8 0.8 volume=1.098 peak=1706 ppm1=0.914 ppm2=6.896

assign ( resid 32 and name HD1#
  )
       ( resid 41 and name HA
  or resid 64 and name HA
  or resid 73 and name HA
  or resid 87 and name HA
  ) 4.9 1.0 1.0 volume=0.237 peak=1707 ppm1=0.933 ppm2=5.091

assign ( resid 32 and name HD1#
  )
       ( resid 3 and name HA
  or resid 5 and name HA
  or resid 19 and name HB
  or resid 32 and name HA
  or resid 58 and name HA
  or resid 81 and name HA
  or resid 102 and name HA
  ) 3.5 0.7 0.7 volume=1.829 peak=1708 ppm1=0.913 ppm2=4.204

assign ( resid 32 and name HD1#
  )
       ( resid 3 and name HD3
  or resid 30 and name HB3
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 4.1 0.8 0.8 volume=0.692 peak=1709 ppm1=0.915 ppm2=3.136

assign ( resid 32 and name HD1#
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 83 and name HE3
  or resid 83 and name HE2
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 4.5 0.9 0.9 volume=0.400 peak=1710 ppm1=0.905 ppm2=3.006

assign ( resid 32 and name HD1#
  )
       ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 71 and name HB3
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 4.5 0.9 0.9 volume=0.381 peak=1711 ppm1=0.914 ppm2=2.667

assign ( resid 32 and name HD1#
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.3 0.7 0.7 volume=2.873 peak=1712 ppm1=0.914 ppm2=2.137

assign ( resid 32 and name HD1#
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 78 and name HG2
  or resid 81 and name HB3
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.4 0.7 0.7 volume=2.161 peak=1713 ppm1=0.909 ppm2=1.567

assign ( resid 32 and name HD1#
  )
       ( resid 8 and name HG
  or resid 8 and name HB2
  or resid 25 and name HD2
  or resid 25 and name HD3
  or resid 32 and name HG12
  or resid 38 and name HG2
  or resid 38 and name HG3
  or resid 53 and name HD2
  or resid 53 and name HD3
  or resid 78 and name HB2
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 97 and name HB2
  or resid 99 and name HB3
  or resid 103 and name HD3
  or resid 103 and name HD2
  or resid 104 and name HD2
  or resid 104 and name HD3
  or resid 105 and name HD2
  or resid 105 and name HD3
  or resid 106 and name HD2
  or resid 106 and name HD3
  ) 3.8 0.8 0.8 volume=1.104 peak=1714 ppm1=0.908 ppm2=1.669

assign ( resid 32 and name HD1#
  )
       ( resid 5 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 13 and name HB3
  or resid 13 and name HD3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 53 and name HB2
  or resid 53 and name HB3
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 82 and name HB2
  or resid 103 and name HB2
  or resid 104 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB2
  ) 4.3 0.9 0.9 volume=0.478 peak=1715 ppm1=0.912 ppm2=1.822

assign ( resid 24 and name HA
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 81 and name HN
  or resid 106 and name HN
  ) 3.8 0.8 0.8 volume=0.371 peak=1716 ppm1=4.125 ppm2=8.413

assign ( resid 47 and name HA
  or resid 88 and name HA
  )
       ( resid 14 and name HN
  or resid 25 and name HN
  or resid 35 and name HN
  or resid 48 and name HN
  or resid 63 and name HN
  or resid 106 and name HN
  ) 3.7 0.7 0.7 volume=0.405 peak=1717 ppm1=4.081 ppm2=8.397

assign ( resid 44 and name HA
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 78 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 4.1 0.8 0.8 volume=0.216 peak=1718 ppm1=5.148 ppm2=1.479

assign ( resid 29 and name HE2
  or resid 42 and name HE3
  or resid 64 and name HB2
  )
       ( resid 4 and name HD2
  or resid 14 and name HE22
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 72 and name HE#
  or resid 95 and name HD21
  ) 3.6 0.7 0.7 volume=0.565 peak=1719 ppm1=2.874 ppm2=6.916

assign ( resid 48 and name HB2
  or resid 62 and name HB3
  or resid 62 and name HB2
  )
       ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 2.5 0.5 0.5 volume=4.517 peak=1720 ppm1=3.017 ppm2=2.881

assign ( resid 48 and name HB3
  or resid 57 and name HB2
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 13 and name HE3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 2.5 0.5 0.5 volume=3.951 peak=1721 ppm1=2.879 ppm2=3.024

assign ( resid 42 and name HB2
  )
       ( resid 42 and name HN
  ) 4.1 0.8 0.8 volume=0.221 peak=1722 ppm1=1.467 ppm2=8.962

assign ( resid 56 and name HB2
  )
       ( resid 9 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 25 and name HA
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 35 and name HB2
  or resid 38 and name HA
  or resid 39 and name HA
  or resid 56 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 85 and name HA2
  or resid 96 and name HA
  or resid 97 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  or resid 105 and name HA
  ) 3.5 0.7 0.7 volume=0.558 peak=1723 ppm1=2.027 ppm2=4.292

assign ( resid 30 and name HB3
  or resid 86 and name HB2
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  ) 3.7 0.7 0.7 volume=0.442 peak=1724 ppm1=3.172 ppm2=3.486

assign ( resid 90 and name HD1#
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  ) 4.9 1.0 1.0 volume=0.237 peak=1725 ppm1=0.742 ppm2=8.546

assign ( resid 78 and name HG3
  )
       ( resid 58 and name HB3
  or resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 3.8 0.8 0.8 volume=0.358 peak=1726 ppm1=1.467 ppm2=3.363

assign ( resid 15 and name HG3
  or resid 32 and name HG12
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 54 and name HA
  or resid 59 and name HA
  or resid 86 and name HA
  or resid 89 and name HA
  or resid 92 and name HA
  or resid 106 and name HA
  ) 3.7 0.7 0.7 volume=0.430 peak=1727 ppm1=1.626 ppm2=4.360

assign ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  )
       ( resid 3 and name HA
  or resid 5 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 32 and name HA
  or resid 50 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  ) 3.0 0.6 0.6 volume=1.534 peak=1728 ppm1=1.491 ppm2=4.236

assign ( resid 32 and name HG12
  )
       ( resid 4 and name HD2
  or resid 36 and name HE#
  or resid 54 and name HE21
  or resid 64 and name HN
  or resid 71 and name HD#
  or resid 72 and name HE#
  or resid 95 and name HD21
  ) 4.0 0.8 0.8 volume=0.325 peak=1729 ppm1=1.678 ppm2=6.897

assign ( resid 25 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 18 and name HB2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 25 and name HB2
  or resid 31 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 60 and name HB
  or resid 78 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  or resid 107 and name HB
  ) 3.0 0.6 0.6 volume=1.428 peak=1730 ppm1=1.492 ppm2=2.109

assign ( resid 25 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  )
       ( resid 10 and name HB2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 40 and name HB2
  or resid 56 and name HB2
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 102 and name HB2
  ) 3.0 0.6 0.6 volume=1.367 peak=1731 ppm1=1.500 ppm2=2.007

assign ( resid 11 and name HB2
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 4.3 0.9 0.9 volume=0.172 peak=1732 ppm1=2.894 ppm2=1.971

assign ( resid 100 and name HB3
  or resid 100 and name HB2
  )
       ( resid 3 and name HB2
  or resid 5 and name HB3
  or resid 5 and name HB2
  or resid 13 and name HB3
  or resid 13 and name HG2
  or resid 15 and name HB3
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 102 and name HB3
  ) 4.1 0.8 0.8 volume=0.232 peak=1733 ppm1=3.004 ppm2=1.896

assign ( resid 11 and name HB2
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 16 and name HA1
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 78 and name HA
  or resid 94 and name HB2
  ) 3.7 0.7 0.7 volume=0.403 peak=1734 ppm1=2.883 ppm2=3.850

assign ( resid 11 and name HB3
  or resid 49 and name HB2
  )
       ( resid 11 and name HN
  or resid 89 and name HN
  ) 4.0 0.8 0.8 volume=0.276 peak=1735 ppm1=2.744 ppm2=8.762

assign ( resid 88 and name HG3
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 91 and name HB3
  or resid 95 and name HB3
  ) 3.7 0.7 0.7 volume=0.430 peak=1736 ppm1=1.468 ppm2=2.747

assign ( resid 19 and name HG2#
  )
       ( resid 4 and name HB3
  or resid 4 and name HB2
  or resid 6 and name HB3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 81 and name HE3
  or resid 81 and name HE2
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 4.7 0.9 0.9 volume=0.315 peak=1737 ppm1=1.171 ppm2=3.010

assign ( resid 12 and name HG
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  or resid 59 and name HD1#
  ) 4.4 0.9 0.9 volume=0.474 peak=1738 ppm1=1.323 ppm2=0.625

assign ( resid 42 and name HG2
  )
       ( resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  ) 3.5 0.7 0.7 volume=1.081 peak=1739 ppm1=1.140 ppm2=0.791

assign ( resid 42 and name HG2
  )
       ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.1 0.6 0.6 volume=1.172 peak=1740 ppm1=1.155 ppm2=1.505

assign ( resid 90 and name HD1#
  )
       ( resid 3 and name HG2
  or resid 13 and name HG3
  or resid 15 and name HG3
  or resid 21 and name HB2
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG13
  or resid 44 and name HG2
  or resid 44 and name HB3
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 60 and name HG12
  or resid 63 and name HB3
  or resid 78 and name HG2
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 90 and name HB2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  ) 3.3 0.7 0.7 volume=2.535 peak=1741 ppm1=0.743 ppm2=1.589

assign ( resid 90 and name HD1#
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 4.2 0.8 0.8 volume=0.608 peak=1742 ppm1=0.746 ppm2=1.785

assign ( resid 90 and name HD1#
  )
       ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 4.1 0.8 0.8 volume=0.712 peak=1743 ppm1=0.746 ppm2=2.879

assign ( resid 90 and name HD1#
  )
       ( resid 11 and name HB3
  or resid 29 and name HE3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 91 and name HB3
  or resid 95 and name HB3
  ) 3.8 0.8 0.8 volume=1.133 peak=1744 ppm1=0.744 ppm2=2.751

assign ( resid 90 and name HD1#
  )
       ( resid 58 and name HB3
  or resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 4.7 0.9 0.9 volume=0.298 peak=1745 ppm1=0.747 ppm2=3.379

assign ( resid 90 and name HD1#
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 51 and name HB2
  or resid 61 and name HB2
  or resid 66 and name HA1
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  ) 4.8 1.0 1.0 volume=0.277 peak=1746 ppm1=0.745 ppm2=3.185

assign ( resid 90 and name HD1#
  )
       ( resid 88 and name HD3
  ) 4.7 0.9 0.9 volume=0.304 peak=1747 ppm1=0.754 ppm2=3.538

assign ( resid 90 and name HD1#
  )
       ( resid 10 and name HA
  or resid 36 and name HA
  or resid 46 and name HA
  ) 4.8 1.0 1.0 volume=0.256 peak=1748 ppm1=0.743 ppm2=4.920

assign ( resid 90 and name HD1#
  )
       ( resid 12 and name HN
  ) 4.4 0.9 0.9 volume=0.457 peak=1749 ppm1=0.746 ppm2=9.518

assign ( resid 90 and name HD1#
  )
       ( resid 8 and name HD2#
  or resid 9 and name HG2#
  or resid 9 and name HD1#
  or resid 12 and name HD2#
  or resid 60 and name HG2#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD1#
  or resid 97 and name HD2#
  or resid 107 and name HG1#
  ) 3.1 0.6 0.6 volume=10.960 peak=1750 ppm1=0.744 ppm2=0.874

assign ( resid 32 and name HG2#
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 4.6 0.9 0.9 volume=0.346 peak=1751 ppm1=0.951 ppm2=8.463

assign ( resid 12 and name HD1#
  )
       ( resid 1 and name HA
  or resid 34 and name HA
  or resid 48 and name HA
  or resid 63 and name HA
  or resid 84 and name HA
  ) 4.8 1.0 1.0 volume=0.250 peak=1752 ppm1=0.622 ppm2=4.476

assign ( resid 75 and name HB3
  or resid 75 and name HB2
  )
       ( resid 10 and name HG2
  or resid 18 and name HG2
  or resid 18 and name HG3
  or resid 24 and name HG2
  or resid 24 and name HG3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 54 and name HG2
  or resid 54 and name HG3
  or resid 75 and name HG3
  or resid 75 and name HG2
  ) 2.9 0.6 0.6 volume=1.687 peak=1753 ppm1=2.271 ppm2=2.399

assign ( resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  )
       ( resid 6 and name HE#
  or resid 51 and name HN
  or resid 51 and name HD#
  or resid 55 and name HN
  or resid 62 and name HD21
  or resid 101 and name HE#
  or resid 101 and name HZ
  ) 4.2 0.8 0.8 volume=0.242 peak=1754 ppm1=2.067 ppm2=7.336

assign ( resid 24 and name HB3
  or resid 24 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 78 and name HB3
  )
       ( resid 27 and name HN
  or resid 51 and name HE#
  or resid 57 and name HD21
  or resid 74 and name HZ3
  or resid 83 and name HN
  or resid 101 and name HD#
  ) 4.2 0.8 0.8 volume=0.224 peak=1755 ppm1=2.096 ppm2=7.199

assign ( resid 26 and name HB2
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 4.6 0.9 0.9 volume=0.327 peak=1756 ppm1=3.265 ppm2=0.899

assign ( resid 11 and name HB3
  or resid 49 and name HB2
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 78 and name HG3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 4.2 0.8 0.8 volume=0.203 peak=1757 ppm1=2.757 ppm2=1.481

assign ( resid 22 and name HD2#
  )
       ( resid 29 and name HN
  or resid 54 and name HE22
  or resid 74 and name HE3
  or resid 74 and name HZ2
  or resid 91 and name HD21
  ) 4.6 0.9 0.9 volume=0.340 peak=1758 ppm1=1.025 ppm2=7.530

assign ( resid 12 and name HD2#
  or resid 79 and name HD1#
  )
       ( resid 17 and name HB
  or resid 54 and name HB2
  or resid 75 and name HB3
  or resid 75 and name HB2
  ) 4.7 0.9 0.9 volume=0.286 peak=1759 ppm1=0.918 ppm2=2.267

assign ( resid 12 and name HD2#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  )
       ( resid 10 and name HG3
  or resid 34 and name HB3
  or resid 40 and name HE2
  ) 4.1 0.8 0.8 volume=0.662 peak=1760 ppm1=0.880 ppm2=2.556

assign ( resid 59 and name HD1#
  )
       ( resid 15 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 5.0 1.0 1.0 volume=0.196 peak=1761 ppm1=0.583 ppm2=3.601

assign ( resid 56 and name HA
  or resid 83 and name HA
  or resid 97 and name HA
  )
       ( resid 21 and name HD2#
  or resid 90 and name HD1#
  ) 4.0 0.8 0.8 volume=0.846 peak=1762 ppm1=4.287 ppm2=0.734

assign ( resid 56 and name HA
  or resid 83 and name HA
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 40 and name HG3
  or resid 59 and name HG13
  or resid 83 and name HG2
  ) 3.5 0.7 0.7 volume=0.707 peak=1763 ppm1=4.285 ppm2=1.231

assign ( resid 56 and name HA
  or resid 97 and name HA
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 29 and name HD3
  or resid 44 and name HG3
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.4 0.7 0.7 volume=0.756 peak=1764 ppm1=4.280 ppm2=1.433

assign ( resid 56 and name HA
  or resid 83 and name HA
  )
       ( resid 12 and name HG
  or resid 55 and name HB#
  or resid 59 and name HG12
  or resid 83 and name HG3
  ) 3.6 0.7 0.7 volume=0.634 peak=1765 ppm1=4.285 ppm2=1.311

assign ( resid 83 and name HA
  )
       ( resid 27 and name HN
  or resid 51 and name HE#
  or resid 57 and name HD21
  or resid 74 and name HZ3
  or resid 83 and name HN
  or resid 101 and name HD#
  ) 3.5 0.7 0.7 volume=0.736 peak=1766 ppm1=4.276 ppm2=7.198

assign ( resid 49 and name HB3
  )
       ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  or resid 97 and name HD2#
  ) 4.7 0.9 0.9 volume=0.222 peak=1767 ppm1=3.015 ppm2=0.811

assign ( resid 11 and name HB3
  or resid 49 and name HB2
  )
       ( resid 8 and name HD2#
  or resid 9 and name HD1#
  or resid 42 and name HG3
  or resid 45 and name HG2#
  or resid 60 and name HD1#
  or resid 97 and name HD2#
  ) 4.3 0.9 0.9 volume=0.378 peak=1768 ppm1=2.759 ppm2=0.807

assign ( resid 100 and name HB3
  or resid 100 and name HB2
  )
       ( resid 3 and name HA
  or resid 5 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 32 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  or resid 103 and name HA
  ) 3.9 0.8 0.8 volume=0.300 peak=1769 ppm1=3.023 ppm2=4.249

assign ( resid 78 and name HG2
  or resid 92 and name HG
  or resid 97 and name HG
  )
       ( resid 4 and name HB3
  or resid 13 and name HE3
  or resid 34 and name HB2
  or resid 44 and name HD3
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  ) 3.3 0.7 0.7 volume=0.766 peak=1770 ppm1=1.577 ppm2=3.053

assign ( resid 21 and name HD2#
  or resid 90 and name HD1#
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 10 and name HB3
  or resid 12 and name HB3
  or resid 13 and name HD3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 105 and name HB3
  or resid 106 and name HB3
  ) 4.3 0.9 0.9 volume=0.491 peak=1771 ppm1=0.726 ppm2=1.769

assign ( resid 21 and name HD2#
  or resid 90 and name HD1#
  )
       ( resid 9 and name HG13
  or resid 21 and name HB3
  or resid 37 and name HG2#
  or resid 40 and name HD3
  or resid 40 and name HG2
  or resid 59 and name HG2#
  or resid 65 and name HG1#
  ) 3.8 0.8 0.8 volume=1.571 peak=1772 ppm1=0.725 ppm2=1.082

assign ( resid 21 and name HD2#
  or resid 90 and name HD1#
  )
       ( resid 22 and name HD1#
  or resid 29 and name HD3
  or resid 40 and name HB3
  or resid 87 and name HG3
  or resid 89 and name HG13
  or resid 90 and name HB3
  ) 4.2 0.8 0.8 volume=0.669 peak=1773 ppm1=0.725 ppm2=1.386

assign ( resid 21 and name HD2#
  or resid 90 and name HD1#
  )
       ( resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  or resid 102 and name HG3
  ) 4.7 0.9 0.9 volume=0.285 peak=1774 ppm1=0.725 ppm2=2.173

assign ( resid 8 and name HD1#
  or resid 92 and name HD1#
  )
       ( resid 14 and name HE22
  or resid 71 and name HD#
  or resid 72 and name HD#
  or resid 91 and name HD22
  or resid 100 and name HD2
  ) 4.3 0.9 0.9 volume=0.651 peak=1775 ppm1=0.918 ppm2=6.965

assign ( resid 8 and name HD2#
  or resid 92 and name HD2#
  )
       ( resid 6 and name HD#
  or resid 51 and name HE#
  or resid 71 and name HE#
  or resid 74 and name HZ3
  or resid 74 and name HD1
  or resid 74 and name HH2
  or resid 101 and name HD#
  ) 4.5 0.9 0.9 volume=0.547 peak=1776 ppm1=0.844 ppm2=7.250

assign ( resid 8 and name HD2#
  or resid 92 and name HD2#
  )
       ( resid 8 and name HB3
  or resid 9 and name HG12
  or resid 29 and name HD3
  or resid 42 and name HB2
  or resid 44 and name HG3
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 56 and name HG2
  or resid 56 and name HG3
  or resid 78 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  or resid 103 and name HG3
  or resid 103 and name HG2
  or resid 104 and name HG3
  or resid 104 and name HG2
  or resid 105 and name HG2
  or resid 105 and name HG3
  or resid 106 and name HG3
  or resid 106 and name HG2
  ) 3.2 0.6 0.6 volume=2.833 peak=1777 ppm1=0.835 ppm2=1.457

assign ( resid 8 and name HD2#
  or resid 92 and name HD2#
  )
       ( resid 5 and name HB2
  or resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 3.9 0.8 0.8 volume=0.945 peak=1778 ppm1=0.845 ppm2=1.940

assign ( resid 8 and name HD2#
  or resid 92 and name HD2#
  )
       ( resid 5 and name HG3
  or resid 5 and name HG2
  or resid 10 and name HE#
  or resid 14 and name HB2
  or resid 15 and name HG2
  or resid 24 and name HB3
  or resid 24 and name HB2
  or resid 31 and name HB2
  or resid 60 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  ) 3.9 0.8 0.8 volume=0.903 peak=1779 ppm1=0.839 ppm2=2.135

assign ( resid 8 and name HD2#
  or resid 92 and name HD2#
  )
       ( resid 7 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 91 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 4.2 0.8 0.8 volume=0.612 peak=1780 ppm1=0.841 ppm2=2.679

assign ( resid 63 and name HD2#
  or resid 97 and name HD1#
  )
       ( resid 3 and name HG2
  or resid 8 and name HG
  or resid 15 and name HG3
  or resid 22 and name HG
  or resid 25 and name HG2
  or resid 29 and name HB2
  or resid 31 and name HG3
  or resid 32 and name HG12
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 60 and name HG13
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 79 and name HB3
  or resid 82 and name HB3
  or resid 83 and name HD3
  or resid 83 and name HD2
  or resid 92 and name HG
  or resid 92 and name HB3
  or resid 92 and name HB2
  or resid 96 and name HG2
  or resid 96 and name HG3
  or resid 97 and name HG
  or resid 97 and name HB3
  or resid 97 and name HB2
  or resid 99 and name HB3
  ) 3.1 0.6 0.6 volume=3.635 peak=1781 ppm1=0.884 ppm2=1.624

assign ( resid 19 and name HG2#
  )
       ( resid 15 and name HG2
  or resid 31 and name HB2
  or resid 37 and name HB
  or resid 67 and name HB
  or resid 69 and name HB3
  or resid 81 and name HB2
  or resid 87 and name HB3
  or resid 102 and name HG3
  ) 4.3 0.9 0.9 volume=0.482 peak=1782 ppm1=1.169 ppm2=2.174

assign ( resid 65 and name HG1#
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  or resid 95 and name HB2
  ) 4.0 0.8 0.8 volume=0.755 peak=1783 ppm1=1.046 ppm2=2.856

assign ( resid 12 and name HD1#
  )
       ( resid 58 and name HB3
  or resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 4.3 0.9 0.9 volume=0.510 peak=1784 ppm1=0.627 ppm2=3.380

assign ( resid 12 and name HD1#
  )
       ( resid 3 and name HD3
  or resid 13 and name HE2
  or resid 30 and name HB3
  or resid 32 and name HB
  or resid 44 and name HD2
  or resid 51 and name HB3
  or resid 73 and name HB2
  or resid 76 and name HB2
  or resid 86 and name HB2
  or resid 96 and name HD2
  or resid 96 and name HD3
  or resid 99 and name HD3
  or resid 99 and name HD2
  or resid 101 and name HB2
  ) 4.6 0.9 0.9 volume=0.360 peak=1785 ppm1=0.620 ppm2=3.148

assign ( resid 12 and name HD1#
  )
       ( resid 12 and name HB2
  or resid 18 and name HB2
  or resid 25 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 56 and name HB2
  ) 4.7 0.9 0.9 volume=0.314 peak=1786 ppm1=0.622 ppm2=2.044

assign ( resid 12 and name HD1#
  )
       ( resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 18 and name HB3
  or resid 25 and name HB3
  or resid 39 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 65 and name HB
  or resid 83 and name HB2
  or resid 87 and name HG2
  or resid 88 and name HG2
  or resid 89 and name HB
  or resid 102 and name HB2
  ) 3.7 0.7 0.7 volume=1.189 peak=1787 ppm1=0.622 ppm2=1.965

assign ( resid 12 and name HD1#
  )
       ( resid 8 and name HD1#
  or resid 9 and name HG2#
  or resid 12 and name HD2#
  or resid 32 and name HD1#
  or resid 60 and name HG2#
  or resid 63 and name HD1#
  or resid 63 and name HD2#
  or resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 89 and name HD1#
  or resid 89 and name HG2#
  or resid 90 and name HD2#
  or resid 92 and name HD1#
  or resid 92 and name HD2#
  or resid 97 and name HD1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  ) 3.3 0.7 0.7 volume=7.743 peak=1788 ppm1=0.622 ppm2=0.892

assign ( resid 12 and name HD2#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  or resid 59 and name HD1#
  ) 3.4 0.7 0.7 volume=5.851 peak=1789 ppm1=0.883 ppm2=0.632

assign ( resid 12 and name HD2#
  or resid 79 and name HD1#
  )
       ( resid 8 and name HG
  or resid 15 and name HG3
  or resid 25 and name HG2
  or resid 32 and name HG12
  or resid 56 and name HD3
  or resid 56 and name HD2
  or resid 63 and name HB3
  or resid 78 and name HB2
  or resid 79 and name HB3
  or resid 83 and name HB3
  or resid 92 and name HB2
  or resid 97 and name HG
  or resid 97 and name HB2
  or resid 99 and name HB3
  ) 2.9 0.6 0.6 volume=5.882 peak=1790 ppm1=0.906 ppm2=1.635

assign ( resid 12 and name HD2#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  )
       ( resid 5 and name HB2
  or resid 10 and name HB2
  or resid 13 and name HD2
  or resid 14 and name HB3
  or resid 15 and name HB2
  or resid 38 and name HB2
  or resid 39 and name HB2
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 59 and name HB
  or resid 83 and name HB2
  or resid 88 and name HG2
  or resid 89 and name HB
  ) 3.9 0.8 0.8 volume=0.877 peak=1791 ppm1=0.889 ppm2=1.951

assign ( resid 12 and name HD2#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  )
       ( resid 12 and name HB2
  or resid 18 and name HB2
  or resid 25 and name HB2
  or resid 40 and name HB2
  or resid 47 and name HB2
  or resid 47 and name HB3
  or resid 54 and name HB3
  or resid 56 and name HB2
  or resid 78 and name HB3
  or resid 107 and name HB
  ) 3.4 0.7 0.7 volume=1.955 peak=1792 ppm1=0.884 ppm2=2.055

assign ( resid 12 and name HD2#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  )
       ( resid 10 and name HG2
  or resid 14 and name HG2
  or resid 14 and name HG3
  or resid 18 and name HG2
  or resid 33 and name HB3
  or resid 40 and name HE3
  or resid 45 and name HB
  or resid 46 and name HB3
  or resid 69 and name HB2
  or resid 75 and name HG3
  ) 4.7 0.9 0.9 volume=0.312 peak=1793 ppm1=0.890 ppm2=2.440

assign ( resid 12 and name HD2#
  or resid 79 and name HD1#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  )
       ( resid 7 and name HB3
  or resid 7 and name HB2
  or resid 23 and name HB2
  or resid 58 and name HB2
  or resid 68 and name HB2
  or resid 71 and name HB3
  or resid 76 and name HB3
  or resid 77 and name HB2
  or resid 77 and name HB3
  or resid 84 and name HB2
  or resid 84 and name HB3
  or resid 98 and name HB3
  or resid 98 and name HB2
  ) 4.1 0.8 0.8 volume=0.682 peak=1794 ppm1=0.889 ppm2=2.651

assign ( resid 12 and name HD2#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  )
       ( resid 12 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 4.9 1.0 1.0 volume=0.235 peak=1795 ppm1=0.878 ppm2=3.746

assign ( resid 12 and name HD2#
  or resid 79 and name HD2#
  )
       ( resid 7 and name HN
  or resid 10 and name HN
  or resid 26 and name HN
  or resid 105 and name HN
  ) 4.3 0.9 0.9 volume=0.512 peak=1796 ppm1=0.883 ppm2=8.314

assign ( resid 12 and name HD2#
  or resid 79 and name HD2#
  or resid 90 and name HD2#
  )
       ( resid 9 and name HN
  or resid 13 and name HN
  or resid 54 and name HN
  or resid 58 and name HN
  or resid 65 and name HN
  ) 4.5 0.9 0.9 volume=0.378 peak=1797 ppm1=0.875 ppm2=8.558

assign ( resid 41 and name HA
  )
       ( resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 44 and name HG2
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 60 and name HG12
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 3.9 0.8 0.8 volume=0.286 peak=1798 ppm1=5.081 ppm2=1.520

assign ( resid 38 and name HB2
  or resid 102 and name HB3
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 59 and name HG13
  or resid 83 and name HG3
  ) 4.3 0.9 0.9 volume=0.202 peak=1799 ppm1=1.917 ppm2=1.265

assign ( resid 3 and name HB2
  or resid 38 and name HB3
  or resid 102 and name HB3
  )
       ( resid 37 and name HG1#
  or resid 40 and name HD2
  or resid 59 and name HG13
  or resid 83 and name HG3
  ) 4.0 0.8 0.8 volume=0.331 peak=1800 ppm1=1.887 ppm2=1.265

assign ( resid 3 and name HB2
  or resid 38 and name HB3
  or resid 102 and name HB3
  )
       ( resid 11 and name HB3
  or resid 29 and name HE3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 64 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB3
  ) 4.3 0.9 0.9 volume=0.159 peak=1801 ppm1=1.887 ppm2=2.774

assign ( resid 38 and name HB2
  or resid 102 and name HB3
  )
       ( resid 11 and name HB3
  or resid 29 and name HE3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 64 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB3
  ) 3.7 0.7 0.7 volume=0.426 peak=1802 ppm1=1.922 ppm2=2.765

assign ( resid 3 and name HB2
  or resid 38 and name HB3
  or resid 102 and name HB3
  )
       ( resid 11 and name HB2
  or resid 26 and name HB3
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 3.9 0.8 0.8 volume=0.323 peak=1803 ppm1=1.887 ppm2=2.870

assign ( resid 38 and name HB2
  or resid 102 and name HB3
  )
       ( resid 4 and name HB3
  or resid 6 and name HB3
  or resid 13 and name HE3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 104 and name HE2
  or resid 104 and name HE3
  or resid 105 and name HE3
  or resid 105 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 4.0 0.8 0.8 volume=0.263 peak=1804 ppm1=1.926 ppm2=3.028

assign ( resid 3 and name HB2
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 102 and name HB3
  )
       ( resid 4 and name HB3
  or resid 13 and name HE3
  or resid 25 and name HE2
  or resid 25 and name HE3
  or resid 34 and name HB2
  or resid 42 and name HE2
  or resid 48 and name HB2
  or resid 49 and name HB3
  or resid 53 and name HE3
  or resid 53 and name HE2
  or resid 62 and name HB3
  or resid 62 and name HB2
  or resid 72 and name HB3
  or resid 78 and name HD3
  or resid 100 and name HB3
  or resid 100 and name HB2
  or resid 101 and name HB3
  or resid 103 and name HE3
  or resid 103 and name HE2
  or resid 106 and name HE3
  or resid 106 and name HE2
  ) 3.9 0.8 0.8 volume=0.287 peak=1805 ppm1=1.894 ppm2=3.039

assign ( resid 8 and name HD1#
  or resid 92 and name HD1#
  )
       ( resid 2 and name HA
  or resid 4 and name HA
  or resid 7 and name HA
  or resid 8 and name HA
  or resid 16 and name HA2
  or resid 98 and name HA
  or resid 100 and name HA
  or resid 101 and name HA
  ) 3.9 0.8 0.8 volume=0.935 peak=1806 ppm1=0.915 ppm2=4.577

assign ( resid 12 and name HD2#
  or resid 79 and name HD1#
  )
       ( resid 3 and name HB3
  or resid 9 and name HB
  or resid 12 and name HB3
  or resid 22 and name HB2
  or resid 39 and name HG2
  or resid 39 and name HG3
  or resid 41 and name HG3
  or resid 41 and name HG2
  or resid 56 and name HB3
  or resid 63 and name HG
  or resid 63 and name HB2
  or resid 79 and name HB2
  or resid 79 and name HG
  or resid 81 and name HD3
  or resid 81 and name HD2
  or resid 89 and name HG12
  or resid 96 and name HB3
  or resid 96 and name HB2
  or resid 99 and name HB2
  or resid 103 and name HB3
  or resid 104 and name HB3
  or resid 105 and name HB2
  or resid 106 and name HB3
  ) 2.9 0.6 0.6 volume=5.266 peak=1807 ppm1=0.921 ppm2=1.761

assign ( resid 45 and name HG2#
  )
       ( resid 3 and name HA
  or resid 5 and name HA
  or resid 17 and name HA
  or resid 20 and name HA2
  or resid 27 and name HA
  or resid 31 and name HA
  or resid 32 and name HA
  or resid 38 and name HA
  or resid 50 and name HA
  or resid 56 and name HA
  or resid 58 and name HA
  or resid 60 and name HA
  or resid 77 and name HA
  or resid 79 and name HA
  or resid 83 and name HA
  or resid 96 and name HA
  or resid 99 and name HA
  or resid 102 and name HA
  or resid 103 and name HA
  or resid 104 and name HA
  ) 3.8 0.8 0.8 volume=1.005 peak=1808 ppm1=0.800 ppm2=4.254

assign ( resid 45 and name HG2#
  )
       ( resid 12 and name HA
  or resid 15 and name HA
  or resid 28 and name HA2
  or resid 42 and name HA
  or resid 87 and name HD3
  ) 4.0 0.8 0.8 volume=0.767 peak=1809 ppm1=0.800 ppm2=3.726

assign ( resid 45 and name HG2#
  )
       ( resid 0 and name HA2
  or resid 0 and name HA1
  or resid 15 and name HD2
  or resid 26 and name HA
  or resid 29 and name HA
  or resid 31 and name HD2
  or resid 35 and name HB3
  or resid 47 and name HA
  or resid 53 and name HA
  or resid 55 and name HA
  or resid 80 and name HA2
  or resid 88 and name HA
  or resid 107 and name HA
  ) 4.4 0.9 0.9 volume=0.431 peak=1810 ppm1=0.794 ppm2=4.064

assign ( resid 45 and name HG2#
  )
       ( resid 58 and name HB3
  or resid 73 and name HB3
  or resid 74 and name HB3
  or resid 78 and name HD2
  or resid 85 and name HA1
  or resid 88 and name HD2
  ) 4.6 0.9 0.9 volume=0.362 peak=1811 ppm1=0.794 ppm2=3.371

assign ( resid 45 and name HG2#
  )
       ( resid 23 and name HB3
  or resid 88 and name HD3
  ) 4.5 0.9 0.9 volume=0.403 peak=1812 ppm1=0.792 ppm2=3.521

assign ( resid 65 and name HG2#
  )
       ( resid 23 and name HB3
  or resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  ) 4.6 0.9 0.9 volume=0.356 peak=1813 ppm1=0.965 ppm2=3.455

assign ( resid 45 and name HG2#
  )
       ( resid 11 and name HB3
  or resid 29 and name HE3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB3
  ) 4.3 0.9 0.9 volume=0.547 peak=1814 ppm1=0.794 ppm2=2.753

assign ( resid 45 and name HG2#
  )
       ( resid 12 and name HD1#
  or resid 21 and name HD1#
  or resid 45 and name HG1#
  or resid 59 and name HD1#
  ) 3.6 0.7 0.7 volume=4.494 peak=1815 ppm1=0.797 ppm2=0.635

assign ( resid 45 and name HG2#
  )
       ( resid 43 and name HG1#
  ) 4.7 0.9 0.9 volume=0.860 peak=1816 ppm1=0.798 ppm2=0.463

assign ( resid 45 and name HG2#
  )
       ( resid 9 and name HG12
  or resid 21 and name HG
  or resid 22 and name HB3
  or resid 25 and name HG3
  or resid 29 and name HD2
  or resid 42 and name HB3
  or resid 42 and name HB2
  or resid 42 and name HD3
  or resid 42 and name HD2
  or resid 43 and name HB
  or resid 53 and name HG3
  or resid 53 and name HG2
  or resid 81 and name HB3
  or resid 81 and name HG2
  or resid 81 and name HG3
  or resid 88 and name HG3
  or resid 90 and name HG
  or resid 99 and name HG2
  or resid 99 and name HG3
  ) 4.0 0.8 0.8 volume=0.793 peak=1817 ppm1=0.797 ppm2=1.506

assign ( resid 45 and name HG2#
  )
       ( resid 19 and name HA
  or resid 46 and name HA
  or resid 71 and name HA
  ) 4.4 0.9 0.9 volume=0.425 peak=1818 ppm1=0.798 ppm2=4.993

assign ( resid 45 and name HG2#
  )
       ( resid 23 and name HA
  or resid 44 and name HA
  or resid 87 and name HA
  ) 4.3 0.9 0.9 volume=0.537 peak=1819 ppm1=0.799 ppm2=5.138

assign ( resid 65 and name HG2#
  )
       ( resid 41 and name HA
  or resid 64 and name HA
  or resid 71 and name HA
  ) 4.5 0.9 0.9 volume=0.411 peak=1820 ppm1=0.969 ppm2=5.043

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 65 and name HG2#
  )
       ( resid 51 and name HA
  or resid 57 and name HA
  or resid 61 and name HA
  or resid 95 and name HA
  ) 4.1 0.8 0.8 volume=0.693 peak=1821 ppm1=0.956 ppm2=4.750

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  or resid 65 and name HG2#
  )
       ( resid 13 and name HA
  or resid 14 and name HA
  or resid 18 and name HA
  or resid 28 and name HA1
  or resid 67 and name HA
  or resid 75 and name HA
  or resid 86 and name HA
  or resid 90 and name HA
  or resid 94 and name HA
  ) 4.1 0.8 0.8 volume=0.684 peak=1822 ppm1=0.965 ppm2=4.406

assign ( resid 17 and name HG2#
  or resid 17 and name HG1#
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 11 and name HA
  or resid 16 and name HA1
  or resid 52 and name HA1
  or resid 74 and name HA
  or resid 78 and name HA
  or resid 94 and name HB2
  ) 4.3 0.9 0.9 volume=0.542 peak=1823 ppm1=0.958 ppm2=3.830

assign ( resid 67 and name HG2#
  or resid 67 and name HG1#
  or resid 107 and name HG1#
  or resid 107 and name HG2#
  )
       ( resid 21 and name HN
  or resid 34 and name HN
  or resid 38 and name HN
  or resid 67 and name HN
  or resid 69 and name HN
  or resid 81 and name HN
  or resid 93 and name HN
  ) 3.9 0.8 0.8 volume=0.931 peak=1824 ppm1=0.922 ppm2=8.481

assign ( resid 9 and name HG2#
  )
       ( resid 11 and name HB3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 61 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 91 and name HB3
  ) 4.0 0.8 0.8 volume=0.782 peak=1825 ppm1=0.886 ppm2=2.742

assign ( resid 9 and name HG2#
  )
       ( resid -1 and name HA2
  or resid -1 and name HA1
  or resid 1 and name HB2
  or resid 1 and name HB3
  or resid 2 and name HB3
  or resid 11 and name HA
  or resid 16 and name HA1
  or resid 50 and name HB3
  or resid 52 and name HA1
  or resid 76 and name HA
  or resid 78 and name HA
  or resid 94 and name HB3
  or resid 94 and name HB2
  ) 4.3 0.9 0.9 volume=0.483 peak=1826 ppm1=0.874 ppm2=3.867

assign ( resid 38 and name HG2
  or resid 38 and name HG3
  )
       ( resid 39 and name HD2
  or resid 39 and name HD3
  or resid 43 and name HA
  or resid 50 and name HB2
  ) 3.7 0.7 0.7 volume=0.439 peak=1827 ppm1=1.688 ppm2=3.649

assign ( resid 38 and name HG2
  or resid 38 and name HG3
  )
       ( resid 30 and name HB2
  or resid 66 and name HA2
  or resid 74 and name HB2
  ) 3.8 0.8 0.8 volume=0.349 peak=1828 ppm1=1.678 ppm2=3.444

assign ( resid 38 and name HG2
  or resid 38 and name HG3
  )
       ( resid 11 and name HB2
  or resid 29 and name HE2
  or resid 38 and name HD2
  or resid 42 and name HE3
  or resid 48 and name HB3
  or resid 57 and name HB2
  or resid 64 and name HB2
  or resid 71 and name HB2
  ) 3.4 0.7 0.7 volume=0.651 peak=1829 ppm1=1.689 ppm2=2.885

assign ( resid 38 and name HG2
  or resid 38 and name HG3
  )
       ( resid 11 and name HB3
  or resid 29 and name HE3
  or resid 36 and name HB2
  or resid 38 and name HD3
  or resid 49 and name HB2
  or resid 64 and name HB3
  or resid 86 and name HB3
  or resid 91 and name HB2
  or resid 95 and name HB3
  ) 3.4 0.7 0.7 volume=0.740 peak=1830 ppm1=1.692 ppm2=2.775

assign ( resid 38 and name HG2
  or resid 38 and name HG3
  )
       ( resid 5 and name HB2
  or resid 13 and name HD2
  or resid 31 and name HB3
  or resid 38 and name HB3
  or resid 38 and name HB2
  or resid 41 and name HB3
  or resid 41 and name HB2
  or resid 44 and name HB2
  or resid 88 and name HB2
  or resid 88 and name HB3
  or resid 89 and name HB
  or resid 102 and name HB3
  ) 2.7 0.5 0.5 volume=2.498 peak=1831 ppm1=1.691 ppm2=1.913

!Chi1 torsion restraints from HNHB and HAHB MQ follow below



assign ( resid   10  and name  N  )  ( resid   10  and name  CA)
       ( resid   10  and name  CB  )  ( resid   10  and name  CG) 1.0 60.0 60.0 2

assign ( resid   11  and name  N  )  ( resid   11  and name  CA)
       ( resid   11  and name  CB  )  ( resid   11  and name  SG) 1.0 180.0 60.0 2

assign ( resid   13  and name  N  )  ( resid   13  and name  CA)
       ( resid   13  and name  CB  )  ( resid   13  and name  CG) 1.0 -60.0 60.0 2

assign ( resid   21  and name  N  )  ( resid   21  and name  CA)
       ( resid   21  and name  CB  )  ( resid   21  and name  CG) 1.0 -60.0 60.0 2

assign ( resid   22  and name  N  )  ( resid   22  and name  CA)
       ( resid   22  and name  CB  )  ( resid   22  and name  CG) 1.0 -60.0 60.0 2
       
assign ( resid   23  and name  N  )  ( resid   23  and name  CA)
       ( resid   23  and name  CB  )  ( resid   23  and name  SG) 1.0 60.0 60.0 2

assign ( resid   25  and name  N  )  ( resid   25  and name  CA)
       ( resid   25  and name  CB  )  ( resid   25  and name  CG) 1.0 -60.0 60.0 2

assign ( resid   26  and name  N  )  ( resid   26  and name  CA)
       ( resid   26  and name  CB  )  ( resid   26  and name  SG) 1.0 -60.0 60.0 2

assign ( resid   29  and name  N  )  ( resid   29  and name  CA)
       ( resid   29  and name  CB  )  ( resid   29  and name  CG) 1.0 -60.0 60.0 2

assign ( resid   30  and name  N  )  ( resid   30  and name  CA)
       ( resid   30  and name  CB  )  ( resid   30  and name  SG) 1.0 180.0 60.0 2

assign ( resid   33  and name  N  )  ( resid   33  and name  CA)
       ( resid   33  and name  CB  )  ( resid   33  and name  SG) 1.0 60.0 60.0 2

assign ( resid   35  and name  N  )  ( resid   35  and name  CA)
       ( resid   35  and name  CB  )  ( resid   35  and name  OG) 1.0 180.0 60.0 2

assign ( resid   36  and name  N  )  ( resid   36  and name  CA)
       ( resid   36  and name  CB  )  ( resid   36  and name  CG) 1.0 -60.0 60.0 2

assign ( resid   44  and name  N  )  ( resid   44  and name  CA)
       ( resid   44  and name  CB  )  ( resid   44  and name  CG) 1.0 -60.0 60.0 2

assign ( resid   46  and name  N  )  ( resid   46  and name  CA)
       ( resid   46  and name  CB  )  ( resid   46  and name  SG) 1.0 60.0 60.0 2

assign ( resid   48  and name  N  )  ( resid   48  and name  CA)
       ( resid   48  and name  CB  )  ( resid   48  and name  CG) 1.0 -60.0 60.0 2

assign ( resid   49  and name  N  )  ( resid   49  and name  CA)
       ( resid   49  and name  CB  )  ( resid   49  and name  SG) 1.0 -60.0 60.0 2

assign ( resid   51  and name  N  )  ( resid   51  and name  CA)
       ( resid   51  and name  CB  )  ( resid   51  and name  CG) 1.0 60.0 60.0 2

assign ( resid   58  and name  N  )  ( resid   58  and name  CA)
       ( resid   58  and name  CB  )  ( resid   58  and name  SG) 1.0 180.0 60.0 2

assign ( resid   61  and name  N  )  ( resid   61  and name  CA)
       ( resid   61  and name  CB  )  ( resid   61  and name  SG) 1.0 60.0 60.0 2

assign ( resid   68  and name  N  )  ( resid   68  and name  CA)
       ( resid   68  and name  CB  )  ( resid   68  and name  CG) 1.0 -60.0 60.0 2

assign ( resid   69  and name  N  )  ( resid   69  and name  CA)
       ( resid   69  and name  CB  )  ( resid   69  and name  CG) 1.0 -60.0 60.0 2

assign ( resid   71  and name  N  )  ( resid   71  and name  CA)
       ( resid   71  and name  CB  )  ( resid   71  and name  CG) 1.0 -60.0 60.0 2

assign ( resid   72  and name  N  )  ( resid   72  and name  CA)
       ( resid   72  and name  CB  )  ( resid   72  and name  CG) 1.0 -60.0 60.0 2

assign ( resid   73  and name  N  )  ( resid   73  and name  CA)
       ( resid   73  and name  CB  )  ( resid   73  and name  SG) 1.0 60.0 60.0 2

assign ( resid   74  and name  N  )  ( resid   74  and name  CA)
       ( resid   74  and name  CB  )  ( resid   74  and name  CG) 1.0 180.0 60.0 2

assign ( resid   76  and name  N  )  ( resid   76  and name  CA)
       ( resid   76  and name  CB  )  ( resid   76  and name  SG) 1.0 -60.0 60.0 2

assign ( resid   78  and name  N  )  ( resid   78  and name  CA)
       ( resid   78  and name  CB  )  ( resid   78  and name  CG) 1.0 180.0 60.0 2

assign ( resid   79  and name  N  )  ( resid   79  and name  CA)
       ( resid   79  and name  CB  )  ( resid   79  and name  CG) 1.0 -60.0 60.0 2

assign ( resid   81  and name  N  )  ( resid   81  and name  CA)
       ( resid   81  and name  CB  )  ( resid   81  and name  CG) 1.0 -60.0 60.0 2

assign ( resid   82  and name  N  )  ( resid   82  and name  CA)
       ( resid   82  and name  CB  )  ( resid   82  and name  CG) 1.0 60.0 60.0 2

assign ( resid   86  and name  N  )  ( resid   86  and name  CA)
       ( resid   86  and name  CB  )  ( resid   86  and name  SG) 1.0 180.0 60.0 2





REMARK   5. INTER-ZINC LIGAND DISTANCE CONSTRAINTS
REMARK
REMARK    These are used to constrain the zinc-binding sidechains
REMARK    to approach each other in the early stages of the protocol,
REMARK    before the zinc atom and connectivities have been defined.
REMARK


assign (resid  23 and  name SG   )(resid  26 and  name SG   ) 3.8 0.2 0.1
assign (resid  23 and  name SG   )(resid  58 and  name SG   ) 3.8 0.2 0.1
assign (resid  23 and  name SG   )(resid  61 and  name SG   ) 3.8 0.2 0.1
assign (resid  26 and  name SG   )(resid  58 and  name SG   ) 3.8 0.2 0.1
assign (resid  26 and  name SG   )(resid  61 and  name SG   ) 3.8 0.2 0.1
assign (resid  58 and  name SG   )(resid  61 and  name SG   ) 3.8 0.2 0.1

assign (resid  30 and  name SG   )(resid  33 and  name SG   ) 3.8 0.2 0.1
assign (resid  30 and  name SG   )(resid  73 and  name SG   ) 3.8 0.2 0.1
assign (resid  30 and  name SG   )(resid  76 and  name SG   ) 3.8 0.2 0.1
assign (resid  33 and  name SG   )(resid  73 and  name SG   ) 3.8 0.2 0.1
assign (resid  33 and  name SG   )(resid  76 and  name SG   ) 3.8 0.2 0.1
assign (resid  73 and  name SG   )(resid  76 and  name SG   ) 3.8 0.2 0.1

assign (resid  46 and  name SG   )(resid  49 and  name SG   ) 3.8 0.2 0.1
assign (resid  46 and  name SG   )(resid  11 and  name SG   ) 3.8 0.2 0.1
assign (resid  46 and  name SG   )(resid  86 and  name SG   ) 3.8 0.2 0.1
assign (resid  49 and  name SG   )(resid  11 and  name SG   ) 3.8 0.2 0.1
assign (resid  49 and  name SG   )(resid  86 and  name SG   ) 3.8 0.2 0.1
assign (resid  11 and  name SG   )(resid  86 and  name SG   ) 3.8 0.2 0.1



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY  -1           1H       GLY  -1  -8.796 -25.581  -5.435
    2    H2   GLY  -1           2H       GLY  -1  -8.171 -26.066  -3.932
    3    H3   GLY  -1           3H       GLY  -1  -7.432 -24.805  -4.795
    4    HA2  GLY  -1           1HA      GLY  -1 -10.256 -24.528  -4.067
    5    HA3  GLY  -1           2HA      GLY  -1  -9.039 -24.301  -2.817
    6    H    GLY   0           H        GLY   0 -10.943 -22.552  -4.592
    7    HA2  GLY   0           2HA      GLY   0 -10.858 -20.277  -5.063
    8    HA3  GLY   0           1HA      GLY   0  -9.140 -20.288  -4.687
    9    H    SER   1           H        SER   1  -8.401 -19.225  -6.470
   10    HA   SER   1           HA       SER   1  -7.793 -18.834  -8.624
   11    HB2  SER   1           1HB      SER   1  -8.080 -21.831  -8.942
   12    HB3  SER   1           2HB      SER   1  -7.070 -20.752  -9.907
   13    HG   SER   1           HG       SER   1  -6.083 -20.229  -7.743
   14    H    SER   2           H        SER   2 -10.431 -18.377  -8.131
   15    HA   SER   2           HA       SER   2 -11.611 -18.539 -10.715
   16    HB2  SER   2           1HB      SER   2 -13.677 -19.806  -9.778
   17    HB3  SER   2           2HB      SER   2 -12.258 -20.746 -10.241
   18    HG   SER   2           HG       SER   2 -11.656 -20.828  -8.063
   19    H    ARG   3           H        ARG   3 -14.154 -18.686  -8.598
   20    HA   ARG   3           HA       ARG   3 -14.398 -15.789  -8.626
   21    HB2  ARG   3           1HB      ARG   3 -16.370 -17.905  -7.750
   22    HB3  ARG   3           2HB      ARG   3 -16.718 -16.192  -7.943
   23    HG2  ARG   3           1HG      ARG   3 -16.365 -16.314 -10.302
   24    HG3  ARG   3           2HG      ARG   3 -15.767 -17.969 -10.176
   25    HD2  ARG   3           1HD      ARG   3 -18.563 -17.026  -9.566
   26    HD3  ARG   3           2HD      ARG   3 -18.055 -17.939 -10.988
   27    HE   ARG   3           HE       ARG   3 -17.373 -19.308  -8.586
   28   HH11  ARG   3          2HH1      ARG   3 -19.995 -18.640 -10.806
   29   HH12  ARG   3          1HH1      ARG   3 -20.958 -19.992 -10.285
   30   HH21  ARG   3          2HH2      ARG   3 -18.624 -21.091  -7.889
   31   HH22  ARG   3          1HH2      ARG   3 -20.163 -21.405  -8.641
   32    H    HIS   4           H        HIS   4 -12.422 -16.319  -7.015
   33    HA   HIS   4           HA       HIS   4 -13.385 -15.293  -4.492
   34    HB2  HIS   4           1HB      HIS   4 -13.285 -17.842  -4.237
   35    HB3  HIS   4           2HB      HIS   4 -11.546 -17.702  -4.457
   36    HD1  HIS   4           HD1      HIS   4 -11.826 -18.886  -1.959
   37    HD2  HIS   4           HD2      HIS   4 -12.605 -14.811  -2.291
   38    HE1  HIS   4           HE1      HIS   4 -11.657 -17.967   0.375
   39    HE2  HIS   4           HE2      HIS   4 -12.325 -15.549   0.179
   40    H    GLN   5           H        GLN   5 -12.104 -14.283  -6.715
   41    HA   GLN   5           HA       GLN   5  -9.272 -14.324  -6.442
   42    HB2  GLN   5           1HB      GLN   5 -10.715 -14.074  -8.567
   43    HB3  GLN   5           2HB      GLN   5 -10.840 -12.380  -8.117
   44    HG2  GLN   5           1HG      GLN   5  -8.455 -12.119  -8.259
   45    HG3  GLN   5           2HG      GLN   5  -8.258 -13.843  -8.577
   46   HE21  GLN   5          1HE2      GLN   5  -8.033 -11.032 -10.041
   47   HE22  GLN   5          2HE2      GLN   5  -8.591 -11.429 -11.633
   48    H    PHE   6           H        PHE   6 -11.843 -12.129  -5.585
   49    HA   PHE   6           HA       PHE   6 -11.924 -10.337  -4.159
   50    HB2  PHE   6           1HB      PHE   6 -10.136 -11.295  -2.778
   51    HB3  PHE   6           2HB      PHE   6  -8.926 -10.658  -3.883
   52    HD1  PHE   6           HD2      PHE   6 -11.966  -9.070  -2.420
   53    HD2  PHE   6           HD1      PHE   6  -7.722  -9.076  -2.724
   54    HE1  PHE   6           HE2      PHE   6 -11.874  -6.985  -1.116
   55    HE2  PHE   6           HE1      PHE   6  -7.623  -6.991  -1.422
   56    HZ   PHE   6           HZ       PHE   6  -9.701  -5.941  -0.619
   57    H    ASP   7           H        ASP   7  -9.824 -10.627  -6.829
   58    HA   ASP   7           HA       ASP   7  -9.289  -9.287  -8.568
   59    HB2  ASP   7           1HB      ASP   7 -11.655  -7.722  -7.539
   60    HB3  ASP   7           2HB      ASP   7 -10.829  -7.360  -9.048
   61    H    LEU   8           H        LEU   8  -7.828  -8.949  -6.237
   62    HA   LEU   8           HA       LEU   8  -7.440  -6.190  -5.664
   63    HB2  LEU   8           1HB      LEU   8  -5.686  -6.891  -4.245
   64    HB3  LEU   8           2HB      LEU   8  -7.065  -7.937  -4.031
   65    HG   LEU   8           HG       LEU   8  -5.519  -9.545  -4.022
   66   HD11  LEU   8          1HD1      LEU   8  -5.935  -9.073  -6.914
   67   HD12  LEU   8          2HD1      LEU   8  -4.702 -10.228  -6.410
   68   HD13  LEU   8          3HD1      LEU   8  -6.380 -10.457  -5.915
   69   HD21  LEU   8          3HD2      LEU   8  -3.334  -8.970  -5.527
   70   HD22  LEU   8          1HD2      LEU   8  -3.907  -7.376  -5.016
   71   HD23  LEU   8          2HD2      LEU   8  -3.527  -8.611  -3.807
   72    H    ILE   9           H        ILE   9  -7.370  -6.136  -8.298
   73    HA   ILE   9           HA       ILE   9  -4.850  -6.495  -9.515
   74    HB   ILE   9           HB       ILE   9  -7.177  -4.712 -10.234
   75   HG12  ILE   9          1HG1      ILE   9  -7.331  -6.203 -12.187
   76   HG13  ILE   9          2HG1      ILE   9  -5.932  -7.103 -11.611
   77   HG21  ILE   9          1HG2      ILE   9  -4.772  -3.840 -10.860
   78   HG22  ILE   9          2HG2      ILE   9  -4.914  -5.047 -12.138
   79   HG23  ILE   9          3HG2      ILE   9  -6.103  -3.752 -12.013
   80   HD11  ILE   9          3HD1      ILE   9  -8.629  -6.904 -10.312
   81   HD12  ILE   9          1HD1      ILE   9  -7.898  -8.323 -11.069
   82   HD13  ILE   9          2HD1      ILE   9  -7.215  -7.669  -9.576
   83    H    MET  10           H        MET  10  -3.202  -5.741  -8.410
   84    HA   MET  10           HA       MET  10  -3.173  -2.864  -7.818
   85    HB2  MET  10           1HB      MET  10  -1.220  -3.553  -6.249
   86    HB3  MET  10           2HB      MET  10  -2.882  -3.805  -5.745
   87    HG2  MET  10           1HG      MET  10  -2.742  -6.144  -6.317
   88    HG3  MET  10           2HG      MET  10  -1.109  -5.914  -6.944
   89    HE1  MET  10           3HE      MET  10  -1.928  -3.874  -3.556
   90    HE2  MET  10           1HE      MET  10  -3.260  -4.962  -3.952
   91    HE3  MET  10           2HE      MET  10  -2.251  -5.281  -2.540
   92    H    CYS  11           H        CYS  11  -1.229  -1.741  -7.988
   93    HA   CYS  11           HA       CYS  11  -0.255  -1.704 -10.527
   94    HB2  CYS  11           1HB      CYS  11  -0.229   0.144  -8.906
   95    HB3  CYS  11           2HB      CYS  11   1.072  -0.646  -8.032
   96    H    LEU  12           H        LEU  12   1.437  -3.004  -7.682
   97    HA   LEU  12           HA       LEU  12   3.216  -4.353  -7.423
   98    HB2  LEU  12           1HB      LEU  12   1.275  -5.479  -9.207
   99    HB3  LEU  12           2HB      LEU  12   2.868  -6.145  -9.526
  100    HG   LEU  12           HG       LEU  12   3.079  -6.968  -7.336
  101   HD11  LEU  12          1HD1      LEU  12   2.406  -5.424  -5.824
  102   HD12  LEU  12          2HD1      LEU  12   0.930  -5.040  -6.711
  103   HD13  LEU  12          3HD1      LEU  12   1.025  -6.520  -5.756
  104   HD21  LEU  12          3HD2      LEU  12   1.520  -8.184  -8.870
  105   HD22  LEU  12          1HD2      LEU  12   1.267  -8.488  -7.151
  106   HD23  LEU  12          2HD2      LEU  12   0.190  -7.395  -8.022
  107    H    LYS  13           H        LYS  13   4.165  -2.138  -8.811
  108    HA   LYS  13           HA       LYS  13   6.075  -3.316 -10.706
  109    HB2  LYS  13           1HB      LYS  13   5.713  -0.431  -9.912
  110    HB3  LYS  13           2HB      LYS  13   6.819  -1.036 -11.136
  111    HG2  LYS  13           1HG      LYS  13   4.808  -1.924 -12.349
  112    HG3  LYS  13           2HG      LYS  13   3.826  -0.985 -11.220
  113    HD2  LYS  13           1HD      LYS  13   5.327   0.981 -11.873
  114    HD3  LYS  13           2HD      LYS  13   5.787  -0.019 -13.253
  115    HE2  LYS  13           1HE      LYS  13   2.961   0.671 -12.518
  116    HE3  LYS  13           2HE      LYS  13   3.935   1.543 -13.680
  117    HZ1  LYS  13           3HZ      LYS  13   4.142  -1.041 -14.498
  118    HZ2  LYS  13           1HZ      LYS  13   3.119   0.131 -15.178
  119    HZ3  LYS  13           2HZ      LYS  13   2.528  -0.929 -13.991
  120    H    GLN  14           H        GLN  14   8.094  -1.353 -10.112
  121    HA   GLN  14           HA       GLN  14   9.315  -2.744  -7.860
  122    HB2  GLN  14           1HB      GLN  14  10.660  -2.470  -9.836
  123    HB3  GLN  14           2HB      GLN  14  10.370  -0.736  -9.852
  124    HG2  GLN  14           1HG      GLN  14  12.564  -1.120  -9.047
  125    HG3  GLN  14           2HG      GLN  14  11.568  -0.570  -7.702
  126   HE21  GLN  14          1HE2      GLN  14  11.967  -1.595  -5.890
  127   HE22  GLN  14          2HE2      GLN  14  12.453  -3.251  -5.733
  128    HA   PRO  15           HA       PRO  15   7.822   0.496  -5.112
  129    HB2  PRO  15           1HB      PRO  15   9.585  -0.969  -3.233
  130    HB3  PRO  15           2HB      PRO  15   7.882  -0.533  -3.072
  131    HG2  PRO  15           1HG      PRO  15   8.589  -3.048  -3.566
  132    HG3  PRO  15           2HG      PRO  15   7.160  -2.337  -4.343
  133    HD2  PRO  15           1HD      PRO  15   9.893  -2.817  -5.472
  134    HD3  PRO  15           2HD      PRO  15   8.303  -3.046  -6.230
  135    H    GLY  16           H        GLY  16   8.640   2.424  -4.524
  136    HA2  GLY  16           2HA      GLY  16  11.529   2.840  -4.867
  137    HA3  GLY  16           1HA      GLY  16  10.300   4.097  -4.889
  138    H    VAL  17           H        VAL  17  11.032   5.411  -3.303
  139    HA   VAL  17           HA       VAL  17  11.614   4.236  -0.681
  140    HB   VAL  17           HB       VAL  17  12.521   6.431  -0.054
  141   HG11  VAL  17          1HG1      VAL  17  14.506   5.868  -0.884
  142   HG12  VAL  17          2HG1      VAL  17  13.658   4.573  -1.731
  143   HG13  VAL  17          3HG1      VAL  17  13.974   6.103  -2.549
  144   HG21  VAL  17          3HG2      VAL  17  12.583   8.294  -1.434
  145   HG22  VAL  17          1HG2      VAL  17  12.277   7.351  -2.893
  146   HG23  VAL  17          2HG2      VAL  17  10.973   7.643  -1.742
  147    H    GLN  18           H        GLN  18   9.337   6.252  -2.359
  148    HA   GLN  18           HA       GLN  18   8.146   7.416  -0.064
  149    HB2  GLN  18           1HB      GLN  18   7.255   7.100  -2.921
  150    HB3  GLN  18           2HB      GLN  18   6.217   7.843  -1.716
  151    HG2  GLN  18           1HG      GLN  18   8.147   9.415  -1.233
  152    HG3  GLN  18           2HG      GLN  18   8.884   8.784  -2.705
  153   HE21  GLN  18          1HE2      GLN  18   8.696  10.272  -4.214
  154   HE22  GLN  18          2HE2      GLN  18   7.257  11.160  -4.593
  155    H    THR  19           H        THR  19   6.802   6.610   1.356
  156    HA   THR  19           HA       THR  19   5.980   3.863   1.149
  157    HB   THR  19           HB       THR  19   5.095   5.680   3.363
  158    HG1  THR  19           HG1      THR  19   7.086   5.862   4.147
  159   HG21  THR  19          1HG2      THR  19   5.530   3.678   4.716
  160   HG22  THR  19          2HG2      THR  19   6.094   2.831   3.275
  161   HG23  THR  19          3HG2      THR  19   4.408   3.336   3.399
  162    H    GLY  20           H        GLY  20   3.896   3.065   1.023
  163    HA2  GLY  20           2HA      GLY  20   1.987   4.719  -0.326
  164    HA3  GLY  20           1HA      GLY  20   1.751   3.050   0.168
  165    H    LEU  21           H        LEU  21   0.656   6.101   0.592
  166    HA   LEU  21           HA       LEU  21   0.045   5.886   3.416
  167    HB2  LEU  21           1HB      LEU  21  -0.418   8.031   1.361
  168    HB3  LEU  21           2HB      LEU  21  -1.055   8.133   2.991
  169    HG   LEU  21           HG       LEU  21   1.882   7.870   2.353
  170   HD11  LEU  21          1HD1      LEU  21   1.594   9.982   1.599
  171   HD12  LEU  21          2HD1      LEU  21   0.083  10.207   2.481
  172   HD13  LEU  21          3HD1      LEU  21   1.624  10.354   3.323
  173   HD21  LEU  21          3HD2      LEU  21   0.856   7.154   4.627
  174   HD22  LEU  21          1HD2      LEU  21   2.283   8.191   4.610
  175   HD23  LEU  21          2HD2      LEU  21   0.688   8.887   4.899
  176    H    LEU  22           H        LEU  22  -1.954   5.701   4.300
  177    HA   LEU  22           HA       LEU  22  -4.171   4.993   2.489
  178    HB2  LEU  22           1HB      LEU  22  -3.690   4.233   5.373
  179    HB3  LEU  22           2HB      LEU  22  -5.160   3.873   4.490
  180    HG   LEU  22           HG       LEU  22  -2.409   2.794   3.916
  181   HD11  LEU  22          1HD1      LEU  22  -4.476   0.855   4.342
  182   HD12  LEU  22          2HD1      LEU  22  -2.966   1.086   5.223
  183   HD13  LEU  22          3HD1      LEU  22  -4.413   1.972   5.705
  184   HD21  LEU  22          3HD2      LEU  22  -4.679   3.119   2.201
  185   HD22  LEU  22          1HD2      LEU  22  -3.100   2.418   1.842
  186   HD23  LEU  22          2HD2      LEU  22  -4.390   1.404   2.489
  187    H    CYS  23           H        CYS  23  -6.035   6.109   2.629
  188    HA   CYS  23           HA       CYS  23  -6.187   8.474   4.279
  189    HB2  CYS  23           1HB      CYS  23  -8.181   8.977   3.164
  190    HB3  CYS  23           2HB      CYS  23  -7.272   8.111   1.932
  191    H    GLU  24           H        GLU  24  -7.761   8.702   6.006
  192    HA   GLU  24           HA       GLU  24  -7.689   6.634   7.847
  193    HB2  GLU  24           1HB      GLU  24  -9.734   8.855   7.723
  194    HB3  GLU  24           2HB      GLU  24  -9.343   7.888   9.140
  195    HG2  GLU  24           1HG      GLU  24  -7.045   8.756   9.064
  196    HG3  GLU  24           2HG      GLU  24  -7.500   9.780   7.703
  197    H    LYS  25           H        LYS  25  -9.918   7.148   5.282
  198    HA   LYS  25           HA       LYS  25 -12.037   5.524   6.261
  199    HB2  LYS  25           1HB      LYS  25 -11.432   6.242   3.391
  200    HB3  LYS  25           2HB      LYS  25 -12.991   5.787   4.069
  201    HG2  LYS  25           1HG      LYS  25 -13.110   7.815   5.337
  202    HG3  LYS  25           2HG      LYS  25 -11.460   8.247   4.886
  203    HD2  LYS  25           1HD      LYS  25 -12.963   9.540   3.549
  204    HD3  LYS  25           2HD      LYS  25 -12.211   8.330   2.509
  205    HE2  LYS  25           1HE      LYS  25 -14.547   8.433   1.989
  206    HE3  LYS  25           2HE      LYS  25 -14.220   6.907   2.807
  207    HZ1  LYS  25           3HZ      LYS  25 -16.251   8.031   3.583
  208    HZ2  LYS  25           1HZ      LYS  25 -15.308   9.324   4.150
  209    HZ3  LYS  25           2HZ      LYS  25 -15.127   7.778   4.830
  210    H    CYS  26           H        CYS  26  -9.017   4.790   4.718
  211    HA   CYS  26           HA       CYS  26  -9.897   1.982   4.470
  212    HB2  CYS  26           1HB      CYS  26  -7.582   3.188   2.943
  213    HB3  CYS  26           2HB      CYS  26  -8.300   1.599   2.721
  214    H    ASP  27           H        ASP  27  -8.622   3.836   6.574
  215    HA   ASP  27           HA       ASP  27  -5.975   2.955   6.958
  216    HB2  ASP  27           1HB      ASP  27  -6.729   5.031   7.931
  217    HB3  ASP  27           2HB      ASP  27  -7.955   4.193   8.874
  218    H    GLY  28           H        GLY  28  -5.171   1.204   7.860
  219    HA2  GLY  28           2HA      GLY  28  -5.114  -0.552   9.481
  220    HA3  GLY  28           1HA      GLY  28  -6.864  -0.449   9.608
  221    H    LYS  29           H        LYS  29  -6.901  -0.296   6.563
  222    HA   LYS  29           HA       LYS  29  -7.315  -3.093   6.131
  223    HB2  LYS  29           1HB      LYS  29  -7.249  -0.804   4.158
  224    HB3  LYS  29           2HB      LYS  29  -7.777  -2.434   3.791
  225    HG2  LYS  29           1HG      LYS  29  -9.633  -2.230   5.285
  226    HG3  LYS  29           2HG      LYS  29  -9.084  -0.630   5.796
  227    HD2  LYS  29           1HD      LYS  29  -9.506   0.298   3.663
  228    HD3  LYS  29           2HD      LYS  29  -9.706  -1.297   2.930
  229    HE2  LYS  29           1HE      LYS  29 -11.488  -0.419   5.146
  230    HE3  LYS  29           2HE      LYS  29 -11.800   0.130   3.501
  231    HZ1  LYS  29           3HZ      LYS  29 -12.837  -2.079   4.457
  232    HZ2  LYS  29           1HZ      LYS  29 -11.363  -2.732   3.927
  233    HZ3  LYS  29           2HZ      LYS  29 -12.377  -1.944   2.826
  234    H    CYS  30           H        CYS  30  -6.026  -4.555   5.205
  235    HA   CYS  30           HA       CYS  30  -3.300  -3.815   4.487
  236    HB2  CYS  30           1HB      CYS  30  -3.517  -5.870   5.699
  237    HB3  CYS  30           2HB      CYS  30  -4.787  -6.441   4.627
  238    HA   PRO  31           HA       PRO  31  -4.664  -2.776   0.391
  239    HB2  PRO  31           1HB      PRO  31  -1.835  -3.439  -0.274
  240    HB3  PRO  31           2HB      PRO  31  -2.778  -2.000  -0.677
  241    HG2  PRO  31           1HG      PRO  31  -0.946  -1.939   1.258
  242    HG3  PRO  31           2HG      PRO  31  -2.475  -1.052   1.412
  243    HD2  PRO  31           1HD      PRO  31  -1.603  -3.574   2.736
  244    HD3  PRO  31           2HD      PRO  31  -2.668  -2.288   3.339
  245    H    ILE  32           H        ILE  32  -2.713  -5.628   0.988
  246    HA   ILE  32           HA       ILE  32  -3.188  -6.824  -1.540
  247    HB   ILE  32           HB       ILE  32  -2.255  -8.239   0.952
  248   HG12  ILE  32          1HG1      ILE  32  -1.004  -6.050   0.281
  249   HG13  ILE  32          2HG1      ILE  32  -0.065  -7.498   0.617
  250   HG21  ILE  32          1HG2      ILE  32  -2.362  -8.869  -1.927
  251   HG22  ILE  32          2HG2      ILE  32  -0.884  -9.332  -1.084
  252   HG23  ILE  32          3HG2      ILE  32  -2.443  -9.937  -0.526
  253   HD11  ILE  32          3HD1      ILE  32  -0.872  -7.015  -2.189
  254   HD12  ILE  32          1HD1      ILE  32   0.372  -5.974  -1.497
  255   HD13  ILE  32          2HD1      ILE  32   0.606  -7.723  -1.535
  256    H    CYS  33           H        CYS  33  -4.819  -7.102   1.597
  257    HA   CYS  33           HA       CYS  33  -6.695  -8.981   0.341
  258    HB2  CYS  33           1HB      CYS  33  -6.641 -10.472   2.222
  259    HB3  CYS  33           2HB      CYS  33  -4.992 -10.222   1.661
  260    H    ASP  34           H        ASP  34  -6.176  -6.608   2.885
  261    HA   ASP  34           HA       ASP  34  -7.581  -5.302   4.095
  262    HB2  ASP  34           1HB      ASP  34  -8.626  -4.699   1.996
  263    HB3  ASP  34           2HB      ASP  34  -9.585  -6.173   2.001
  264    H    SER  35           H        SER  35  -7.383  -6.672   5.934
  265    HA   SER  35           HA       SER  35  -9.895  -7.872   6.671
  266    HB2  SER  35           1HB      SER  35  -8.630  -9.660   5.448
  267    HB3  SER  35           2HB      SER  35  -7.377  -9.551   6.681
  268    HG   SER  35           HG       SER  35  -8.609 -11.136   7.429
  269    H    TYR  36           H        TYR  36  -8.162  -5.705   7.504
  270    HA   TYR  36           HA       TYR  36  -7.151  -4.780   9.375
  271    HB2  TYR  36           1HB      TYR  36  -9.862  -5.812  10.068
  272    HB3  TYR  36           2HB      TYR  36  -8.885  -5.089  11.341
  273    HD1  TYR  36           HD2      TYR  36  -9.816  -4.313   7.791
  274    HD2  TYR  36           HD1      TYR  36  -9.250  -2.869  11.752
  275    HE1  TYR  36           HE2      TYR  36 -10.502  -2.067   7.065
  276    HE2  TYR  36           HE1      TYR  36  -9.932  -0.618  11.034
  277    HH   TYR  36           HH       TYR  36  -9.832   0.617   8.562
  278    H    VAL  37           H        VAL  37  -5.708  -6.970   9.077
  279    HA   VAL  37           HA       VAL  37  -5.653  -8.237  11.735
  280    HB   VAL  37           HB       VAL  37  -6.257  -9.733   9.810
  281   HG11  VAL  37          1HG1      VAL  37  -5.081  -9.772   7.949
  282   HG12  VAL  37          2HG1      VAL  37  -4.016  -8.532   8.612
  283   HG13  VAL  37          3HG1      VAL  37  -3.630 -10.238   8.838
  284   HG21  VAL  37          3HG2      VAL  37  -5.284 -11.535  10.775
  285   HG22  VAL  37          1HG2      VAL  37  -3.692 -10.781  10.852
  286   HG23  VAL  37          2HG2      VAL  37  -4.937 -10.334  12.018
  287    H    ARG  38           H        ARG  38  -3.490  -8.959  12.436
  288    HA   ARG  38           HA       ARG  38  -1.815  -6.951  12.923
  289    HB2  ARG  38           1HB      ARG  38  -0.016  -8.632  13.354
  290    HB3  ARG  38           2HB      ARG  38  -1.566  -9.027  14.081
  291    HG2  ARG  38           1HG      ARG  38  -2.016 -10.623  12.302
  292    HG3  ARG  38           2HG      ARG  38  -0.491 -10.198  11.521
  293    HD2  ARG  38           1HD      ARG  38  -0.335 -12.282  12.831
  294    HD3  ARG  38           2HD      ARG  38   0.757 -11.027  13.414
  295    HE   ARG  38           HE       ARG  38  -0.314 -11.100  15.415
  296   HH11  ARG  38          2HH1      ARG  38  -2.413 -12.594  13.039
  297   HH12  ARG  38          1HH1      ARG  38  -3.706 -12.861  14.165
  298   HH21  ARG  38          2HH2      ARG  38  -2.012 -11.456  16.898
  299   HH22  ARG  38          1HH2      ARG  38  -3.473 -12.235  16.359
  300    HA   PRO  39           HA       PRO  39   0.237  -5.940   9.114
  301    HB2  PRO  39           1HB      PRO  39   1.822  -4.066  10.657
  302    HB3  PRO  39           2HB      PRO  39   0.530  -3.731   9.505
  303    HG2  PRO  39           1HG      PRO  39   0.296  -3.271  12.172
  304    HG3  PRO  39           2HG      PRO  39  -1.081  -3.664  11.125
  305    HD2  PRO  39           1HD      PRO  39   0.466  -5.450  12.971
  306    HD3  PRO  39           2HD      PRO  39  -1.289  -5.355  12.700
  307    H    LYS  40           H        LYS  40   2.884  -4.878   9.227
  308    HA   LYS  40           HA       LYS  40   4.691  -6.424  10.679
  309    HB2  LYS  40           1HB      LYS  40   3.871  -8.297   9.312
  310    HB3  LYS  40           2HB      LYS  40   4.292  -7.418   7.849
  311    HG2  LYS  40           1HG      LYS  40   6.633  -7.507   8.422
  312    HG3  LYS  40           2HG      LYS  40   6.255  -8.287   9.958
  313    HD2  LYS  40           1HD      LYS  40   5.391 -10.228   8.797
  314    HD3  LYS  40           2HD      LYS  40   5.642  -9.439   7.237
  315    HE2  LYS  40           1HE      LYS  40   7.806 -10.130   9.220
  316    HE3  LYS  40           2HE      LYS  40   7.420 -11.053   7.768
  317    HZ1  LYS  40           3HZ      LYS  40   7.809  -8.750   6.623
  318    HZ2  LYS  40           1HZ      LYS  40   9.121  -9.747   7.022
  319    HZ3  LYS  40           2HZ      LYS  40   8.723  -8.430   8.012
  320    H    ARG  41           H        ARG  41   4.269  -5.009   7.426
  321    HA   ARG  41           HA       ARG  41   6.618  -3.328   7.905
  322    HB2  ARG  41           1HB      ARG  41   7.427  -5.448   6.941
  323    HB3  ARG  41           2HB      ARG  41   6.349  -5.236   5.573
  324    HG2  ARG  41           1HG      ARG  41   8.649  -4.654   5.015
  325    HG3  ARG  41           2HG      ARG  41   7.577  -3.260   4.878
  326    HD2  ARG  41           1HD      ARG  41   9.781  -2.791   5.962
  327    HD3  ARG  41           2HD      ARG  41   8.372  -2.346   6.920
  328    HE   ARG  41           HE       ARG  41   9.083  -4.913   7.691
  329   HH11  ARG  41          2HH1      ARG  41  10.603  -1.761   7.644
  330   HH12  ARG  41          1HH1      ARG  41  11.476  -2.015   9.127
  331   HH21  ARG  41          2HH2      ARG  41  10.222  -5.253   9.647
  332   HH22  ARG  41          1HH2      ARG  41  11.224  -3.986  10.292
  333    H    LYS  42           H        LYS  42   6.531  -1.384   6.946
  334    HA   LYS  42           HA       LYS  42   4.130  -0.431   5.852
  335    HB2  LYS  42           1HB      LYS  42   6.920   0.720   5.790
  336    HB3  LYS  42           2HB      LYS  42   5.509   1.578   5.188
  337    HG2  LYS  42           1HG      LYS  42   4.513   1.280   7.490
  338    HG3  LYS  42           2HG      LYS  42   6.118   0.756   8.007
  339    HD2  LYS  42           1HD      LYS  42   7.069   2.877   7.352
  340    HD3  LYS  42           2HD      LYS  42   5.526   3.398   6.669
  341    HE2  LYS  42           1HE      LYS  42   4.542   3.142   8.962
  342    HE3  LYS  42           2HE      LYS  42   6.178   2.887   9.565
  343    HZ1  LYS  42           3HZ      LYS  42   5.299   5.209   9.738
  344    HZ2  LYS  42           1HZ      LYS  42   5.378   5.308   8.045
  345    HZ3  LYS  42           2HZ      LYS  42   6.794   5.063   8.955
  346    H    VAL  43           H        VAL  43   3.379  -0.210   3.859
  347    HA   VAL  43           HA       VAL  43   4.568  -1.714   1.740
  348    HB   VAL  43           HB       VAL  43   2.645  -1.096   0.427
  349   HG11  VAL  43          1HG1      VAL  43   1.600  -1.451   3.219
  350   HG12  VAL  43          2HG1      VAL  43   0.938  -2.075   1.707
  351   HG13  VAL  43          3HG1      VAL  43   2.437  -2.741   2.355
  352   HG21  VAL  43          3HG2      VAL  43   0.969   0.498   1.207
  353   HG22  VAL  43          1HG2      VAL  43   1.968   0.869   2.613
  354   HG23  VAL  43          2HG2      VAL  43   2.536   1.276   0.993
  355    H    ARG  44           H        ARG  44   5.748  -1.017   0.021
  356    HA   ARG  44           HA       ARG  44   6.296   1.873  -0.100
  357    HB2  ARG  44           1HB      ARG  44   7.973  -0.368  -1.247
  358    HB3  ARG  44           2HB      ARG  44   8.417   1.330  -1.110
  359    HG2  ARG  44           1HG      ARG  44   8.430   1.165   1.302
  360    HG3  ARG  44           2HG      ARG  44   7.904  -0.518   1.211
  361    HD2  ARG  44           1HD      ARG  44  10.203  -0.668   1.555
  362    HD3  ARG  44           2HD      ARG  44  10.026  -0.891  -0.184
  363    HE   ARG  44           HE       ARG  44  11.357   0.918  -0.445
  364   HH11  ARG  44          2HH1      ARG  44   9.702   1.282   2.628
  365   HH12  ARG  44          1HH1      ARG  44  10.458   2.803   2.998
  366   HH21  ARG  44          2HH2      ARG  44  12.409   2.864   0.073
  367   HH22  ARG  44          1HH2      ARG  44  12.019   3.690   1.557
  368    H    VAL  45           H        VAL  45   5.470   2.942  -1.780
  369    HA   VAL  45           HA       VAL  45   4.233   1.440  -3.927
  370    HB   VAL  45           HB       VAL  45   3.490   3.639  -4.795
  371   HG11  VAL  45          1HG1      VAL  45   2.570   3.990  -2.096
  372   HG12  VAL  45          2HG1      VAL  45   1.702   3.392  -3.511
  373   HG13  VAL  45          3HG1      VAL  45   2.634   2.277  -2.512
  374   HG21  VAL  45          3HG2      VAL  45   3.976   5.669  -3.792
  375   HG22  VAL  45          1HG2      VAL  45   4.492   4.915  -2.283
  376   HG23  VAL  45          2HG2      VAL  45   5.522   4.825  -3.711
  377    H    CYS  46           H        CYS  46   4.832   1.471  -6.053
  378    HA   CYS  46           HA       CYS  46   7.568   1.535  -6.568
  379    HB2  CYS  46           1HB      CYS  46   7.062   0.923  -8.765
  380    HB3  CYS  46           2HB      CYS  46   5.678   0.326  -7.860
  381    H    GLU  47           H        GLU  47   8.844   2.935  -7.786
  382    HA   GLU  47           HA       GLU  47   8.593   5.636  -7.228
  383    HB2  GLU  47           1HB      GLU  47  10.205   4.128  -9.257
  384    HB3  GLU  47           2HB      GLU  47  10.279   5.884  -9.170
  385    HG2  GLU  47           1HG      GLU  47  11.071   5.816  -6.934
  386    HG3  GLU  47           2HG      GLU  47  10.799   4.078  -6.829
  387    H    ASN  48           H        ASN  48   7.457   3.825 -10.007
  388    HA   ASN  48           HA       ASN  48   6.786   5.897 -11.745
  389    HB2  ASN  48           1HB      ASN  48   5.655   3.166 -11.257
  390    HB3  ASN  48           2HB      ASN  48   4.819   4.264 -12.347
  391   HD21  ASN  48          1HD2      ASN  48   5.225   3.713 -14.338
  392   HD22  ASN  48          2HD2      ASN  48   6.774   3.283 -14.984
  393    H    CYS  49           H        CYS  49   5.126   4.712  -8.894
  394    HA   CYS  49           HA       CYS  49   2.848   6.462  -9.292
  395    HB2  CYS  49           1HB      CYS  49   3.615   4.530  -7.106
  396    HB3  CYS  49           2HB      CYS  49   2.229   5.605  -6.964
  397    H    SER  50           H        SER  50   5.859   6.423  -7.501
  398    HA   SER  50           HA       SER  50   5.139   8.399  -5.594
  399    HB2  SER  50           1HB      SER  50   7.946   7.825  -6.534
  400    HB3  SER  50           2HB      SER  50   7.426   8.418  -4.964
  401    HG   SER  50           HG       SER  50   6.183   6.166  -5.240
  402    H    PHE  51           H        PHE  51   6.974   8.481  -8.638
  403    HA   PHE  51           HA       PHE  51   6.752  11.400  -8.606
  404    HB2  PHE  51           1HB      PHE  51   8.286  11.329 -10.537
  405    HB3  PHE  51           2HB      PHE  51   8.969  10.630  -9.091
  406    HD1  PHE  51           HD1      PHE  51   6.915   9.356 -11.964
  407    HD2  PHE  51           HD2      PHE  51  10.376   8.899  -9.528
  408    HE1  PHE  51           HE1      PHE  51   7.565   7.374 -13.267
  409    HE2  PHE  51           HE2      PHE  51  11.024   6.913 -10.824
  410    HZ   PHE  51           HZ       PHE  51   9.622   6.150 -12.697
  411    H    GLY  52           H        GLY  52   4.450   9.641  -9.040
  412    HA2  GLY  52           2HA      GLY  52   3.736  10.605 -11.739
  413    HA3  GLY  52           1HA      GLY  52   3.266   9.011 -11.173
  414    H    LYS  53           H        LYS  53   3.247  12.016  -9.339
  415    HA   LYS  53           HA       LYS  53   1.621  13.291  -8.429
  416    HB2  LYS  53           1HB      LYS  53  -0.110  11.987 -10.525
  417    HB3  LYS  53           2HB      LYS  53  -0.665  13.268  -9.457
  418    HG2  LYS  53           1HG      LYS  53   1.107  14.738 -10.364
  419    HG3  LYS  53           2HG      LYS  53   1.543  13.454 -11.495
  420    HD2  LYS  53           1HD      LYS  53  -0.688  13.525 -12.462
  421    HD3  LYS  53           2HD      LYS  53  -1.166  14.770 -11.307
  422    HE2  LYS  53           1HE      LYS  53   0.583  16.248 -12.242
  423    HE3  LYS  53           2HE      LYS  53   0.947  15.012 -13.446
  424    HZ1  LYS  53           3HZ      LYS  53  -0.638  16.909 -14.069
  425    HZ2  LYS  53           1HZ      LYS  53  -1.794  16.068 -13.157
  426    HZ3  LYS  53           2HZ      LYS  53  -1.071  15.325 -14.502
  427    H    GLN  54           H        GLN  54   0.393   9.990  -8.996
  428    HA   GLN  54           HA       GLN  54  -1.251  10.078  -6.633
  429    HB2  GLN  54           1HB      GLN  54  -0.521   7.818  -8.489
  430    HB3  GLN  54           2HB      GLN  54  -1.606   7.641  -7.114
  431    HG2  GLN  54           1HG      GLN  54  -3.152   8.048  -8.691
  432    HG3  GLN  54           2HG      GLN  54  -2.755   9.715  -8.273
  433   HE21  GLN  54          1HE2      GLN  54  -2.731  10.907 -10.027
  434   HE22  GLN  54          2HE2      GLN  54  -2.018  10.468 -11.545
  435    H    ALA  55           H        ALA  55   0.646  10.740  -5.337
  436    HA   ALA  55           HA       ALA  55   2.239   8.416  -4.516
  437    HB1  ALA  55           3HB      ALA  55   3.159  11.122  -3.836
  438    HB2  ALA  55           1HB      ALA  55   4.053   9.738  -4.467
  439    HB3  ALA  55           2HB      ALA  55   3.087  10.737  -5.557
  440    H    LYS  56           H        LYS  56   0.901  11.451  -3.207
  441    HA   LYS  56           HA       LYS  56   1.068  10.444  -0.510
  442    HB2  LYS  56           1HB      LYS  56  -0.170  13.004  -1.539
  443    HB3  LYS  56           2HB      LYS  56   0.147  12.616   0.147
  444    HG2  LYS  56           1HG      LYS  56   2.584  12.404  -0.501
  445    HG3  LYS  56           2HG      LYS  56   2.136  13.144  -2.038
  446    HD2  LYS  56           1HD      LYS  56   1.697  14.361   0.688
  447    HD3  LYS  56           2HD      LYS  56   3.000  14.786  -0.420
  448    HE2  LYS  56           1HE      LYS  56   1.296  15.476  -2.084
  449    HE3  LYS  56           2HE      LYS  56   0.043  15.149  -0.886
  450    HZ1  LYS  56           3HZ      LYS  56   0.328  17.295  -0.353
  451    HZ2  LYS  56           1HZ      LYS  56   1.846  17.395  -1.102
  452    HZ3  LYS  56           2HZ      LYS  56   1.713  16.768   0.469
  453    H    ASN  57           H        ASN  57  -1.374  10.767  -2.985
  454    HA   ASN  57           HA       ASN  57  -3.640  10.562  -1.326
  455    HB2  ASN  57           1HB      ASN  57  -3.518   9.478  -4.137
  456    HB3  ASN  57           2HB      ASN  57  -4.927  10.076  -3.278
  457   HD21  ASN  57          1HD2      ASN  57  -3.067  10.778  -5.737
  458   HD22  ASN  57          2HD2      ASN  57  -3.037  12.509  -5.676
  459    H    CYS  58           H        CYS  58  -4.888   8.874  -0.719
  460    HA   CYS  58           HA       CYS  58  -3.759   6.622   0.308
  461    HB2  CYS  58           1HB      CYS  58  -5.946   7.464   0.925
  462    HB3  CYS  58           2HB      CYS  58  -6.583   7.061  -0.658
  463    H    ILE  59           H        ILE  59  -3.137   4.720  -0.375
  464    HA   ILE  59           HA       ILE  59  -2.991   4.215  -3.165
  465    HB   ILE  59           HB       ILE  59  -1.847   2.110  -2.495
  466   HG12  ILE  59          1HG1      ILE  59  -2.473   3.139   0.281
  467   HG13  ILE  59          2HG1      ILE  59  -2.988   1.609  -0.419
  468   HG21  ILE  59          1HG2      ILE  59   0.025   3.315  -2.360
  469   HG22  ILE  59          2HG2      ILE  59  -1.027   4.732  -2.358
  470   HG23  ILE  59          3HG2      ILE  59  -0.464   4.049  -0.832
  471   HD11  ILE  59          3HD1      ILE  59  -0.651   2.190   1.078
  472   HD12  ILE  59          1HD1      ILE  59  -1.193   0.642   0.419
  473   HD13  ILE  59          2HD1      ILE  59  -0.167   1.701  -0.549
  474    H    ILE  60           H        ILE  60  -5.087   3.046  -0.628
  475    HA   ILE  60           HA       ILE  60  -5.988   0.789  -2.122
  476    HB   ILE  60           HB       ILE  60  -7.005   2.043   0.420
  477   HG12  ILE  60          1HG1      ILE  60  -5.594  -0.555  -0.233
  478   HG13  ILE  60          2HG1      ILE  60  -4.888   0.843   0.570
  479   HG21  ILE  60          1HG2      ILE  60  -8.914   0.904   0.317
  480   HG22  ILE  60          2HG2      ILE  60  -8.527   0.475  -1.350
  481   HG23  ILE  60          3HG2      ILE  60  -8.048  -0.593  -0.031
  482   HD11  ILE  60          3HD1      ILE  60  -6.585  -1.294   1.639
  483   HD12  ILE  60          1HD1      ILE  60  -5.340  -0.323   2.424
  484   HD13  ILE  60          2HD1      ILE  60  -6.964   0.331   2.210
  485    H    CYS  61           H        CYS  61  -7.451   4.012  -1.468
  486    HA   CYS  61           HA       CYS  61  -9.463   3.270  -3.477
  487    HB2  CYS  61           1HB      CYS  61 -10.957   4.930  -2.548
  488    HB3  CYS  61           2HB      CYS  61 -10.420   3.837  -1.276
  489    H    ASN  62           H        ASN  62  -6.664   4.548  -3.644
  490    HA   ASN  62           HA       ASN  62  -5.689   6.478  -4.542
  491    HB2  ASN  62           1HB      ASN  62  -5.745   6.235  -6.987
  492    HB3  ASN  62           2HB      ASN  62  -5.394   4.753  -6.126
  493   HD21  ASN  62          1HD2      ASN  62  -8.711   5.452  -5.999
  494   HD22  ASN  62          2HD2      ASN  62  -9.203   4.431  -7.304
  495    H    LEU  63           H        LEU  63  -7.450   7.880  -3.391
  496    HA   LEU  63           HA       LEU  63  -8.333   9.797  -5.386
  497    HB2  LEU  63           1HB      LEU  63 -10.046   7.823  -4.511
  498    HB3  LEU  63           2HB      LEU  63 -10.449   9.172  -3.464
  499    HG   LEU  63           HG       LEU  63 -11.946   9.452  -5.191
  500   HD11  LEU  63          1HD1      LEU  63 -10.881  11.194  -6.808
  501   HD12  LEU  63          2HD1      LEU  63 -11.064  11.571  -5.095
  502   HD13  LEU  63          3HD1      LEU  63  -9.496  11.065  -5.722
  503   HD21  LEU  63          3HD2      LEU  63 -10.015   9.012  -7.404
  504   HD22  LEU  63          1HD2      LEU  63 -10.609   7.610  -6.510
  505   HD23  LEU  63          2HD2      LEU  63 -11.747   8.684  -7.327
  506    H    ASN  64           H        ASN  64  -9.088   9.048  -1.998
  507    HA   ASN  64           HA       ASN  64  -8.655  11.788  -1.195
  508    HB2  ASN  64           1HB      ASN  64  -9.261   9.297   0.418
  509    HB3  ASN  64           2HB      ASN  64  -9.115  10.907   1.110
  510   HD21  ASN  64          1HD2      ASN  64 -10.420  11.323  -1.871
  511   HD22  ASN  64          2HD2      ASN  64 -12.095  11.275  -1.464
  512    H    VAL  65           H        VAL  65  -6.912  12.589  -0.082
  513    HA   VAL  65           HA       VAL  65  -4.426  11.392  -0.464
  514    HB   VAL  65           HB       VAL  65  -4.814  13.833  -0.187
  515   HG11  VAL  65          1HG1      VAL  65  -5.883  14.540   1.603
  516   HG12  VAL  65          2HG1      VAL  65  -5.792  12.935   2.328
  517   HG13  VAL  65          3HG1      VAL  65  -4.484  14.090   2.579
  518   HG21  VAL  65          3HG2      VAL  65  -2.679  14.262   0.611
  519   HG22  VAL  65          1HG2      VAL  65  -2.751  12.959   1.796
  520   HG23  VAL  65          2HG2      VAL  65  -2.569  12.583   0.082
  521    H    GLY  66           H        GLY  66  -3.054  10.235   0.817
  522    HA2  GLY  66           2HA      GLY  66  -4.334   8.740   2.930
  523    HA3  GLY  66           1HA      GLY  66  -2.746   8.441   2.245
  524    H    VAL  67           H        VAL  67  -3.733   8.615   5.052
  525    HA   VAL  67           HA       VAL  67  -2.023  10.815   5.995
  526    HB   VAL  67           HB       VAL  67  -3.247  10.595   8.160
  527   HG11  VAL  67          1HG1      VAL  67  -3.873  12.366   6.696
  528   HG12  VAL  67          2HG1      VAL  67  -4.804  11.269   5.673
  529   HG13  VAL  67          3HG1      VAL  67  -5.361  11.638   7.304
  530   HG21  VAL  67          3HG2      VAL  67  -4.844   9.071   8.550
  531   HG22  VAL  67          1HG2      VAL  67  -5.537   9.245   6.937
  532   HG23  VAL  67          2HG2      VAL  67  -4.135   8.205   7.188
  533    H    ASN  68           H        ASN  68  -2.779   7.377   6.512
  534    HA   ASN  68           HA       ASN  68  -0.303   7.183   8.105
  535    HB2  ASN  68           1HB      ASN  68  -2.664   5.290   8.175
  536    HB3  ASN  68           2HB      ASN  68  -1.239   5.222   9.203
  537   HD21  ASN  68          1HD2      ASN  68  -4.229   5.616   9.616
  538   HD22  ASN  68          2HD2      ASN  68  -4.313   6.979  10.684
  539    H    ASP  69           H        ASP  69   1.257   5.795   7.464
  540    HA   ASP  69           HA       ASP  69   1.247   4.723   4.831
  541    HB2  ASP  69           1HB      ASP  69   2.998   3.957   7.188
  542    HB3  ASP  69           2HB      ASP  69   3.311   3.550   5.508
  543    H    ALA  70           H        ALA  70   0.666   2.790   4.066
  544    HA   ALA  70           HA       ALA  70  -0.913   1.044   5.719
  545    HB1  ALA  70           3HB      ALA  70  -1.816   0.774   3.692
  546    HB2  ALA  70           1HB      ALA  70  -0.365   1.355   2.873
  547    HB3  ALA  70           2HB      ALA  70  -0.475  -0.331   3.386
  548    H    PHE  71           H        PHE  71  -0.453  -1.064   6.284
  549    HA   PHE  71           HA       PHE  71   2.358  -1.889   5.988
  550    HB2  PHE  71           1HB      PHE  71   0.457  -2.326   8.292
  551    HB3  PHE  71           2HB      PHE  71   1.914  -3.282   8.078
  552    HD1  PHE  71           HD1      PHE  71   0.983   0.346   8.088
  553    HD2  PHE  71           HD2      PHE  71   3.674  -2.691   9.364
  554    HE1  PHE  71           HE1      PHE  71   2.261   2.018   9.361
  555    HE2  PHE  71           HE2      PHE  71   4.962  -1.025  10.634
  556    HZ   PHE  71           HZ       PHE  71   4.252   1.333  10.638
  557    H    TYR  72           H        TYR  72   2.710  -3.883   5.159
  558    HA   TYR  72           HA       TYR  72   0.538  -5.426   4.067
  559    HB2  TYR  72           1HB      TYR  72   3.436  -6.195   4.513
  560    HB3  TYR  72           2HB      TYR  72   2.267  -7.136   3.601
  561    HD1  TYR  72           HD2      TYR  72   1.183  -5.917   1.554
  562    HD2  TYR  72           HD1      TYR  72   4.820  -4.723   3.409
  563    HE1  TYR  72           HE2      TYR  72   1.850  -4.766  -0.513
  564    HE2  TYR  72           HE1      TYR  72   5.499  -3.570   1.350
  565    HH   TYR  72           HH       TYR  72   3.832  -3.958  -1.632
  566    H    CYS  73           H        CYS  73  -0.619  -6.954   5.125
  567    HA   CYS  73           HA       CYS  73  -0.185  -7.329   7.913
  568    HB2  CYS  73           1HB      CYS  73  -2.199  -8.470   7.968
  569    HB3  CYS  73           2HB      CYS  73  -2.423  -7.424   6.573
  570    H    TRP  74           H        TRP  74   0.379  -9.223   9.000
  571    HA   TRP  74           HA       TRP  74   2.627 -10.509   8.121
  572    HB2  TRP  74           1HB      TRP  74   1.915 -10.480  10.464
  573    HB3  TRP  74           2HB      TRP  74   0.588 -11.573  10.086
  574    HD1  TRP  74           HD1      TRP  74   4.461 -11.631   9.738
  575    HE1  TRP  74           HE1      TRP  74   5.267 -14.010  10.298
  576    HE3  TRP  74           HE3      TRP  74  -0.070 -13.837  10.568
  577    HZ2  TRP  74           HZ2      TRP  74   4.123 -16.498  10.987
  578    HZ3  TRP  74           HZ3      TRP  74  -0.129 -16.223  11.166
  579    HH2  TRP  74           HH2      TRP  74   1.925 -17.524  11.367
  580    H    GLU  75           H        GLU  75  -0.717 -11.595   7.763
  581    HA   GLU  75           HA       GLU  75  -0.179 -14.188   6.870
  582    HB2  GLU  75           1HB      GLU  75  -2.526 -12.403   6.215
  583    HB3  GLU  75           2HB      GLU  75  -2.462 -14.132   5.904
  584    HG2  GLU  75           1HG      GLU  75  -2.156 -14.495   8.348
  585    HG3  GLU  75           2HG      GLU  75  -2.413 -12.767   8.584
  586    H    CYS  76           H        CYS  76  -0.600 -11.190   5.001
  587    HA   CYS  76           HA       CYS  76  -0.284 -12.427   2.461
  588    HB2  CYS  76           1HB      CYS  76  -0.024  -9.577   3.385
  589    HB3  CYS  76           2HB      CYS  76   0.296 -10.045   1.720
  590    H    CYS  77           H        CYS  77   1.948 -11.023   4.780
  591    HA   CYS  77           HA       CYS  77   4.246 -11.093   3.128
  592    HB2  CYS  77           1HB      CYS  77   3.983 -11.175   6.140
  593    HB3  CYS  77           2HB      CYS  77   5.500 -10.940   5.275
  594    HG   CYS  77           HG       CYS  77   4.494  -8.572   3.985
  595    H    ARG  78           H        ARG  78   2.839 -13.391   5.410
  596    HA   ARG  78           HA       ARG  78   4.871 -15.337   5.276
  597    HB2  ARG  78           1HB      ARG  78   3.154 -15.347   7.024
  598    HB3  ARG  78           2HB      ARG  78   1.913 -15.672   5.820
  599    HG2  ARG  78           1HG      ARG  78   2.952 -17.824   5.327
  600    HG3  ARG  78           2HG      ARG  78   4.199 -17.499   6.530
  601    HD2  ARG  78           1HD      ARG  78   2.496 -17.414   8.281
  602    HD3  ARG  78           2HD      ARG  78   1.241 -17.714   7.079
  603    HE   ARG  78           HE       ARG  78   2.945 -19.647   8.301
  604   HH11  ARG  78          2HH1      ARG  78   1.045 -18.941   5.449
  605   HH12  ARG  78          1HH1      ARG  78   1.077 -20.575   4.858
  606   HH21  ARG  78          2HH2      ARG  78   2.980 -21.807   7.547
  607   HH22  ARG  78          1HH2      ARG  78   2.196 -22.205   6.042
  608    H    LEU  79           H        LEU  79   1.846 -14.969   3.455
  609    HA   LEU  79           HA       LEU  79   2.196 -17.258   1.822
  610    HB2  LEU  79           1HB      LEU  79   0.617 -14.734   1.318
  611    HB3  LEU  79           2HB      LEU  79   0.479 -16.207   0.378
  612    HG   LEU  79           HG       LEU  79  -0.174 -15.964   3.315
  613   HD11  LEU  79          1HD1      LEU  79  -2.368 -16.636   1.586
  614   HD12  LEU  79          2HD1      LEU  79  -2.222 -15.328   2.760
  615   HD13  LEU  79          3HD1      LEU  79  -1.645 -15.099   1.110
  616   HD21  LEU  79          3HD2      LEU  79   0.066 -18.232   1.460
  617   HD22  LEU  79          1HD2      LEU  79   0.181 -18.183   3.219
  618   HD23  LEU  79          2HD2      LEU  79  -1.401 -18.208   2.440
  619    H    GLY  80           H        GLY  80   3.252 -13.935   1.563
  620    HA2  GLY  80           2HA      GLY  80   5.134 -13.239   0.333
  621    HA3  GLY  80           1HA      GLY  80   5.027 -14.708  -0.626
  622    H    LYS  81           H        LYS  81   2.460 -12.384   0.068
  623    HA   LYS  81           HA       LYS  81   2.087 -12.010  -2.807
  624    HB2  LYS  81           1HB      LYS  81   0.412 -11.094  -0.462
  625    HB3  LYS  81           2HB      LYS  81   0.001 -10.853  -2.153
  626    HG2  LYS  81           1HG      LYS  81  -0.049 -13.315  -2.443
  627    HG3  LYS  81           2HG      LYS  81   0.229 -13.485  -0.709
  628    HD2  LYS  81           1HD      LYS  81  -1.843 -12.332  -0.227
  629    HD3  LYS  81           2HD      LYS  81  -2.104 -12.026  -1.946
  630    HE2  LYS  81           1HE      LYS  81  -2.203 -14.464  -2.326
  631    HE3  LYS  81           2HE      LYS  81  -2.030 -14.721  -0.591
  632    HZ1  LYS  81           3HZ      LYS  81  -4.152 -14.099  -0.195
  633    HZ2  LYS  81           1HZ      LYS  81  -4.369 -14.614  -1.794
  634    HZ3  LYS  81           2HZ      LYS  81  -4.194 -12.959  -1.453
  635    H    ASP  82           H        ASP  82   3.107 -10.381   0.068
  636    HA   ASP  82           HA       ASP  82   3.029  -7.716  -0.886
  637    HB2  ASP  82           1HB      ASP  82   4.477  -7.191   1.024
  638    HB3  ASP  82           2HB      ASP  82   3.117  -8.198   1.498
  639    H    LYS  83           H        LYS  83   5.318 -10.292  -1.232
  640    HA   LYS  83           HA       LYS  83   7.589  -8.738  -1.841
  641    HB2  LYS  83           1HB      LYS  83   8.622 -10.781  -2.561
  642    HB3  LYS  83           2HB      LYS  83   7.620 -11.147  -1.164
  643    HG2  LYS  83           1HG      LYS  83   5.866 -11.987  -2.670
  644    HG3  LYS  83           2HG      LYS  83   6.925 -11.673  -4.045
  645    HD2  LYS  83           1HD      LYS  83   8.581 -13.226  -3.101
  646    HD3  LYS  83           2HD      LYS  83   7.484 -13.563  -1.762
  647    HE2  LYS  83           1HE      LYS  83   5.807 -14.377  -3.388
  648    HE3  LYS  83           2HE      LYS  83   6.975 -14.119  -4.682
  649    HZ1  LYS  83           3HZ      LYS  83   8.364 -15.630  -2.929
  650    HZ2  LYS  83           1HZ      LYS  83   7.549 -16.226  -4.291
  651    HZ3  LYS  83           2HZ      LYS  83   6.801 -16.263  -2.766
  652    H    ASP  84           H        ASP  84   4.783  -9.166  -3.602
  653    HA   ASP  84           HA       ASP  84   5.839  -9.343  -6.223
  654    HB2  ASP  84           1HB      ASP  84   3.165  -8.601  -5.100
  655    HB3  ASP  84           2HB      ASP  84   3.497  -8.374  -6.815
  656    H    GLY  85           H        GLY  85   4.598  -6.535  -4.378
  657    HA2  GLY  85           2HA      GLY  85   6.506  -4.768  -4.760
  658    HA3  GLY  85           1HA      GLY  85   5.814  -4.764  -6.371
  659    H    CYS  86           H        CYS  86   4.999  -2.836  -6.521
  660    HA   CYS  86           HA       CYS  86   4.004  -1.150  -4.600
  661    HB2  CYS  86           1HB      CYS  86   4.669  -0.635  -6.967
  662    HB3  CYS  86           2HB      CYS  86   3.121  -1.275  -7.488
  663    HA   PRO  87           HA       PRO  87   0.107  -3.204  -3.811
  664    HB2  PRO  87           1HB      PRO  87  -0.345  -2.185  -1.404
  665    HB3  PRO  87           2HB      PRO  87   0.990  -3.314  -1.675
  666    HG2  PRO  87           1HG      PRO  87   1.050  -0.328  -1.460
  667    HG3  PRO  87           2HG      PRO  87   2.148  -1.522  -0.744
  668    HD2  PRO  87           1HD      PRO  87   2.654  -0.118  -3.068
  669    HD3  PRO  87           2HD      PRO  87   3.402  -1.672  -2.647
  670    H    ARG  88           H        ARG  88   0.232  -0.513  -5.313
  671    HA   ARG  88           HA       ARG  88  -1.999   0.958  -4.279
  672    HB2  ARG  88           1HB      ARG  88  -0.313   1.125  -6.719
  673    HB3  ARG  88           2HB      ARG  88  -1.914   1.852  -6.781
  674    HG2  ARG  88           1HG      ARG  88  -1.220   2.974  -4.557
  675    HG3  ARG  88           2HG      ARG  88   0.420   2.567  -5.068
  676    HD2  ARG  88           1HD      ARG  88   0.177   3.834  -7.082
  677    HD3  ARG  88           2HD      ARG  88  -1.540   4.093  -6.770
  678    HE   ARG  88           HE       ARG  88   0.657   5.559  -5.674
  679   HH11  ARG  88          2HH1      ARG  88  -2.707   4.679  -5.252
  680   HH12  ARG  88          1HH1      ARG  88  -2.981   5.850  -3.996
  681   HH21  ARG  88          2HH2      ARG  88   0.294   7.098  -4.020
  682   HH22  ARG  88          1HH2      ARG  88  -1.276   7.216  -3.284
  683    H    ILE  89           H        ILE  89  -4.038   0.457  -4.447
  684    HA   ILE  89           HA       ILE  89  -4.927  -1.746  -6.049
  685    HB   ILE  89           HB       ILE  89  -6.374   0.223  -4.285
  686   HG12  ILE  89          1HG1      ILE  89  -5.006  -1.467  -3.150
  687   HG13  ILE  89          2HG1      ILE  89  -6.719  -1.739  -2.855
  688   HG21  ILE  89          1HG2      ILE  89  -8.418  -0.974  -4.611
  689   HG22  ILE  89          2HG2      ILE  89  -7.816  -0.467  -6.189
  690   HG23  ILE  89          3HG2      ILE  89  -7.623  -2.141  -5.667
  691   HD11  ILE  89          3HD1      ILE  89  -4.787  -3.350  -4.439
  692   HD12  ILE  89          1HD1      ILE  89  -6.003  -3.868  -3.272
  693   HD13  ILE  89          2HD1      ILE  89  -6.492  -3.371  -4.892
  694    H    LEU  90           H        LEU  90  -5.320  -1.610  -8.120
  695    HA   LEU  90           HA       LEU  90  -5.909   0.982  -9.346
  696    HB2  LEU  90           1HB      LEU  90  -5.307  -1.628 -10.718
  697    HB3  LEU  90           2HB      LEU  90  -5.249  -0.019 -11.413
  698    HG   LEU  90           HG       LEU  90  -3.386  -1.020  -9.261
  699   HD11  LEU  90          1HD1      LEU  90  -2.955  -2.252 -11.234
  700   HD12  LEU  90          2HD1      LEU  90  -3.088  -0.808 -12.240
  701   HD13  LEU  90          3HD1      LEU  90  -1.728  -0.987 -11.130
  702   HD21  LEU  90          3HD2      LEU  90  -2.471   1.025  -9.192
  703   HD22  LEU  90          1HD2      LEU  90  -2.630   1.264 -10.932
  704   HD23  LEU  90          2HD2      LEU  90  -4.007   1.565  -9.871
  705    H    ASN  91           H        ASN  91  -7.166  -2.210  -8.846
  706    HA   ASN  91           HA       ASN  91  -9.179  -2.362 -10.718
  707    HB2  ASN  91           1HB      ASN  91 -10.181  -4.074  -9.330
  708    HB3  ASN  91           2HB      ASN  91  -8.428  -4.231  -9.278
  709   HD21  ASN  91          1HD2      ASN  91  -7.439  -4.202  -7.356
  710   HD22  ASN  91          2HD2      ASN  91  -8.216  -3.875  -5.848
  711    H    LEU  92           H        LEU  92  -9.140  -0.624  -7.721
  712    HA   LEU  92           HA       LEU  92 -11.945  -0.391  -7.474
  713    HB2  LEU  92           1HB      LEU  92 -10.140  -0.217  -5.671
  714    HB3  LEU  92           2HB      LEU  92  -9.946   1.445  -6.199
  715    HG   LEU  92           HG       LEU  92 -12.354   1.838  -5.699
  716   HD11  LEU  92          1HD1      LEU  92 -12.391  -0.689  -4.132
  717   HD12  LEU  92          2HD1      LEU  92 -13.728   0.255  -4.789
  718   HD13  LEU  92          3HD1      LEU  92 -12.748  -0.748  -5.858
  719   HD21  LEU  92          3HD2      LEU  92 -10.973   2.614  -4.016
  720   HD22  LEU  92          1HD2      LEU  92 -12.039   1.511  -3.145
  721   HD23  LEU  92          2HD2      LEU  92 -10.411   0.998  -3.589
  722    H    GLY  93           H        GLY  93 -12.913   0.504  -9.203
  723    HA2  GLY  93           2HA      GLY  93 -12.170   3.251  -9.974
  724    HA3  GLY  93           1HA      GLY  93 -13.317   2.216 -10.829
  725    H    SER  94           H        SER  94 -14.718   1.253  -8.660
  726    HA   SER  94           HA       SER  94 -15.671   3.409  -7.013
  727    HB2  SER  94           1HB      SER  94 -16.988   3.658  -9.152
  728    HB3  SER  94           2HB      SER  94 -17.621   2.034  -8.890
  729    HG   SER  94           HG       SER  94 -19.125   3.237  -7.939
  730    H    ASN  95           H        ASN  95 -17.695   2.353  -5.720
  731    HA   ASN  95           HA       ASN  95 -18.328   0.801  -4.192
  732    HB2  ASN  95           1HB      ASN  95 -17.467  -0.914  -6.482
  733    HB3  ASN  95           2HB      ASN  95 -17.789  -1.687  -4.932
  734   HD21  ASN  95          1HD2      ASN  95 -19.684  -2.632  -5.122
  735   HD22  ASN  95          2HD2      ASN  95 -21.138  -1.891  -5.714
  736    H    ARG  96           H        ARG  96 -16.574   1.879  -3.007
  737    HA   ARG  96           HA       ARG  96 -13.990   1.079  -2.745
  738    HB2  ARG  96           1HB      ARG  96 -14.236   1.840  -0.265
  739    HB3  ARG  96           2HB      ARG  96 -14.428   2.998  -1.568
  740    HG2  ARG  96           1HG      ARG  96 -16.108   3.413   0.067
  741    HG3  ARG  96           2HG      ARG  96 -16.901   2.739  -1.350
  742    HD2  ARG  96           1HD      ARG  96 -16.754   0.497  -0.190
  743    HD3  ARG  96           2HD      ARG  96 -16.281   1.383   1.257
  744    HE   ARG  96           HE       ARG  96 -18.906   1.110   0.196
  745   HH11  ARG  96          2HH1      ARG  96 -16.832   3.262   2.037
  746   HH12  ARG  96          1HH1      ARG  96 -18.164   4.135   2.742
  747   HH21  ARG  96          2HH2      ARG  96 -20.634   2.240   1.124
  748   HH22  ARG  96          1HH2      ARG  96 -20.320   3.562   2.203
  749    H    LEU  97           H        LEU  97 -16.748  -0.580  -1.405
  750    HA   LEU  97           HA       LEU  97 -15.235  -2.941  -1.142
  751    HB2  LEU  97           1HB      LEU  97 -15.526  -3.367   1.244
  752    HB3  LEU  97           2HB      LEU  97 -14.507  -1.975   0.961
  753    HG   LEU  97           HG       LEU  97 -16.818  -0.690   1.326
  754   HD11  LEU  97          1HD1      LEU  97 -17.320  -2.552   3.490
  755   HD12  LEU  97          2HD1      LEU  97 -18.445  -1.812   2.351
  756   HD13  LEU  97          3HD1      LEU  97 -17.586  -3.288   1.909
  757   HD21  LEU  97          3HD2      LEU  97 -14.785  -0.270   2.555
  758   HD22  LEU  97          1HD2      LEU  97 -16.138  -0.406   3.678
  759   HD23  LEU  97          2HD2      LEU  97 -15.010  -1.748   3.492
  760    H    ASP  98           H        ASP  98 -16.494  -4.705  -1.205
  761    HA   ASP  98           HA       ASP  98 -18.325  -5.934  -1.725
  762    HB2  ASP  98           1HB      ASP  98 -18.695  -5.252   0.767
  763    HB3  ASP  98           2HB      ASP  98 -19.949  -4.200   0.124
  764    H    ARG  99           H        ARG  99 -21.086  -4.467  -1.392
  765    HA   ARG  99           HA       ARG  99 -20.963  -2.771  -3.780
  766    HB2  ARG  99           1HB      ARG  99 -22.970  -5.004  -3.379
  767    HB3  ARG  99           2HB      ARG  99 -23.011  -3.827  -4.679
  768    HG2  ARG  99           1HG      ARG  99 -22.101  -5.652  -5.726
  769    HG3  ARG  99           2HG      ARG  99 -20.649  -4.774  -5.240
  770    HD2  ARG  99           1HD      ARG  99 -20.390  -6.205  -3.307
  771    HD3  ARG  99           2HD      ARG  99 -21.905  -7.027  -3.675
  772    HE   ARG  99           HE       ARG  99 -20.751  -8.369  -5.093
  773   HH11  ARG  99          2HH1      ARG  99 -18.909  -5.406  -4.709
  774   HH12  ARG  99          1HH1      ARG  99 -17.596  -5.942  -5.710
  775   HH21  ARG  99          2HH2      ARG  99 -18.997  -9.096  -6.355
  776   HH22  ARG  99          1HH2      ARG  99 -17.643  -8.041  -6.643
  777    H    HIS 100           H        HIS 100 -21.070  -1.772  -1.260
  778    HA   HIS 100           HA       HIS 100 -23.858  -0.855  -1.046
  779    HB2  HIS 100           1HB      HIS 100 -22.119  -1.600   1.316
  780    HB3  HIS 100           2HB      HIS 100 -23.752  -0.957   1.397
  781    HD1  HIS 100           HD1      HIS 100 -25.503  -2.687  -0.111
  782    HD2  HIS 100           HD2      HIS 100 -22.118  -4.232   1.751
  783    HE1  HIS 100           HE1      HIS 100 -25.944  -5.145   0.176
  784    HE2  HIS 100           HE2      HIS 100 -23.806  -6.086   1.124
  785    H    PHE 101           H        PHE 101 -24.080   1.263  -0.831
  786    HA   PHE 101           HA       PHE 101 -21.765   2.809   0.113
  787    HB2  PHE 101           1HB      PHE 101 -23.003   4.824  -0.872
  788    HB3  PHE 101           2HB      PHE 101 -22.208   3.735  -1.996
  789    HD1  PHE 101           HD2      PHE 101 -25.531   4.559  -0.537
  790    HD2  PHE 101           HD1      PHE 101 -23.381   2.802  -3.761
  791    HE1  PHE 101           HE2      PHE 101 -27.619   4.354  -1.817
  792    HE2  PHE 101           HE1      PHE 101 -25.463   2.612  -5.051
  793    HZ   PHE 101           HZ       PHE 101 -27.588   3.383  -4.077
  794    H    GLU 102           H        GLU 102 -25.173   2.161   0.335
  795    HA   GLU 102           HA       GLU 102 -26.723   2.476   1.964
  796    HB2  GLU 102           1HB      GLU 102 -25.150   0.758   2.841
  797    HB3  GLU 102           2HB      GLU 102 -24.326   2.026   3.737
  798    HG2  GLU 102           1HG      GLU 102 -26.342   2.469   5.008
  799    HG3  GLU 102           2HG      GLU 102 -27.214   1.252   4.078
  800    H    LYS 103           H        LYS 103 -26.789   4.779   1.294
  801    HA   LYS 103           HA       LYS 103 -27.004   6.992   1.770
  802    HB2  LYS 103           1HB      LYS 103 -27.302   5.913   4.576
  803    HB3  LYS 103           2HB      LYS 103 -27.857   7.482   4.012
  804    HG2  LYS 103           1HG      LYS 103 -28.867   4.791   3.125
  805    HG3  LYS 103           2HG      LYS 103 -29.712   5.958   4.144
  806    HD2  LYS 103           1HD      LYS 103 -29.595   7.573   2.230
  807    HD3  LYS 103           2HD      LYS 103 -28.972   6.253   1.237
  808    HE2  LYS 103           1HE      LYS 103 -31.323   6.414   0.854
  809    HE3  LYS 103           2HE      LYS 103 -31.023   4.956   1.800
  810    HZ1  LYS 103           3HZ      LYS 103 -31.554   6.370   3.809
  811    HZ2  LYS 103           1HZ      LYS 103 -32.858   6.002   2.791
  812    HZ3  LYS 103           2HZ      LYS 103 -32.140   7.538   2.728
  813    H    LYS 104           H        LYS 104 -24.390   6.555   1.439
  814    HA   LYS 104           HA       LYS 104 -23.242   8.491   3.274
  815    HB2  LYS 104           1HB      LYS 104 -22.054   5.749   2.839
  816    HB3  LYS 104           2HB      LYS 104 -21.113   7.108   3.439
  817    HG2  LYS 104           1HG      LYS 104 -22.671   7.295   5.348
  818    HG3  LYS 104           2HG      LYS 104 -23.518   5.865   4.761
  819    HD2  LYS 104           1HD      LYS 104 -20.600   5.944   5.519
  820    HD3  LYS 104           2HD      LYS 104 -21.896   5.385   6.577
  821    HE2  LYS 104           1HE      LYS 104 -21.167   4.195   3.903
  822    HE3  LYS 104           2HE      LYS 104 -20.742   3.524   5.476
  823    HZ1  LYS 104           3HZ      LYS 104 -22.638   2.368   4.724
  824    HZ2  LYS 104           1HZ      LYS 104 -23.448   3.796   4.297
  825    HZ3  LYS 104           2HZ      LYS 104 -23.192   3.423   5.931
  826    H    LYS 105           H        LYS 105 -24.111   8.748   0.663
  827    HA   LYS 105           HA       LYS 105 -23.520   9.771  -1.270
  828    HB2  LYS 105           1HB      LYS 105 -21.955  11.087   0.064
  829    HB3  LYS 105           2HB      LYS 105 -20.746   9.819  -0.072
  830    HG2  LYS 105           1HG      LYS 105 -20.635  10.176  -2.480
  831    HG3  LYS 105           2HG      LYS 105 -21.861  11.437  -2.352
  832    HD2  LYS 105           1HD      LYS 105 -19.752  12.529  -2.464
  833    HD3  LYS 105           2HD      LYS 105 -20.304  12.652  -0.795
  834    HE2  LYS 105           1HE      LYS 105 -18.528  10.389  -1.599
  835    HE3  LYS 105           2HE      LYS 105 -17.833  11.986  -1.338
  836    HZ1  LYS 105           3HZ      LYS 105 -18.499  10.064   0.579
  837    HZ2  LYS 105           1HZ      LYS 105 -19.536  11.388   0.815
  838    HZ3  LYS 105           2HZ      LYS 105 -17.857  11.614   0.825
  839    H    LYS 106           H        LYS 106 -20.816   7.651  -0.434
  840    HA   LYS 106           HA       LYS 106 -21.324   5.610  -2.211
  841    HB2  LYS 106           1HB      LYS 106 -20.900   7.347  -3.975
  842    HB3  LYS 106           2HB      LYS 106 -19.277   7.535  -3.327
  843    HG2  LYS 106           1HG      LYS 106 -19.244   6.131  -5.295
  844    HG3  LYS 106           2HG      LYS 106 -18.797   5.192  -3.869
  845    HD2  LYS 106           1HD      LYS 106 -20.310   3.922  -5.288
  846    HD3  LYS 106           2HD      LYS 106 -21.084   4.309  -3.752
  847    HE2  LYS 106           1HE      LYS 106 -22.645   4.640  -5.575
  848    HE3  LYS 106           2HE      LYS 106 -22.251   6.186  -4.823
  849    HZ1  LYS 106           3HZ      LYS 106 -20.546   5.475  -7.042
  850    HZ2  LYS 106           1HZ      LYS 106 -21.318   6.942  -6.694
  851    HZ3  LYS 106           2HZ      LYS 106 -22.172   5.692  -7.464
  852    H    VAL 107           H        VAL 107 -19.184   7.618  -0.561
  853    HA   VAL 107           HA       VAL 107 -17.967   5.448   0.828
  854    HB   VAL 107           HB       VAL 107 -16.521   5.588  -1.201
  855   HG11  VAL 107          1HG1      VAL 107 -16.447   8.427  -0.416
  856   HG12  VAL 107          2HG1      VAL 107 -14.922   7.730  -0.962
  857   HG13  VAL 107          3HG1      VAL 107 -16.338   7.686  -2.012
  858   HG21  VAL 107          3HG2      VAL 107 -14.652   6.570   0.814
  859   HG22  VAL 107          1HG2      VAL 107 -15.764   5.343   1.420
  860   HG23  VAL 107          2HG2      VAL 107 -14.744   4.996   0.023
  Start of MODEL    2
    1    H1   GLY  -1           1H       GLY  -1 -17.011  13.106  -4.307
    2    H2   GLY  -1           2H       GLY  -1 -15.389  13.036  -4.795
    3    H3   GLY  -1           3H       GLY  -1 -15.813  12.627  -3.204
    4    HA2  GLY  -1           1HA      GLY  -1 -17.323  10.879  -4.424
    5    HA3  GLY  -1           2HA      GLY  -1 -16.101  11.086  -5.674
    6    H    GLY   0           H        GLY   0 -16.870   8.955  -3.554
    7    HA2  GLY   0           2HA      GLY   0 -14.572   7.557  -3.325
    8    HA3  GLY   0           1HA      GLY   0 -14.416   8.729  -2.023
    9    H    SER   1           H        SER   1 -17.147   6.839  -3.296
   10    HA   SER   1           HA       SER   1 -18.224   6.408  -0.700
   11    HB2  SER   1           1HB      SER   1 -18.911   5.047  -3.313
   12    HB3  SER   1           2HB      SER   1 -19.908   5.068  -1.857
   13    HG   SER   1           HG       SER   1 -20.111   7.308  -2.077
   14    H    SER   2           H        SER   2 -16.163   5.497   0.155
   15    HA   SER   2           HA       SER   2 -15.118   3.780   1.189
   16    HB2  SER   2           1HB      SER   2 -17.241   2.020  -0.052
   17    HB3  SER   2           2HB      SER   2 -16.173   1.580   1.283
   18    HG   SER   2           HG       SER   2 -17.136   3.225   2.522
   19    H    ARG   3           H        ARG   3 -16.070   2.888  -2.120
   20    HA   ARG   3           HA       ARG   3 -14.926   1.998  -3.854
   21    HB2  ARG   3           1HB      ARG   3 -13.374   3.875  -3.463
   22    HB3  ARG   3           2HB      ARG   3 -12.472   2.891  -2.325
   23    HG2  ARG   3           1HG      ARG   3 -11.359   3.062  -4.496
   24    HG3  ARG   3           2HG      ARG   3 -11.787   1.399  -4.103
   25    HD2  ARG   3           1HD      ARG   3 -13.562   3.125  -5.800
   26    HD3  ARG   3           2HD      ARG   3 -12.217   2.219  -6.491
   27    HE   ARG   3           HE       ARG   3 -13.713   0.438  -4.969
   28   HH11  ARG   3          2HH1      ARG   3 -14.106   2.380  -7.843
   29   HH12  ARG   3          1HH1      ARG   3 -15.279   1.321  -8.563
   30   HH21  ARG   3          2HH2      ARG   3 -15.282  -0.960  -5.888
   31   HH22  ARG   3          1HH2      ARG   3 -15.953  -0.579  -7.449
   32    H    HIS   4           H        HIS   4 -15.909   0.200  -2.229
   33    HA   HIS   4           HA       HIS   4 -13.884  -1.695  -1.395
   34    HB2  HIS   4           1HB      HIS   4 -15.788  -3.201  -0.878
   35    HB3  HIS   4           2HB      HIS   4 -15.888  -1.651  -0.061
   36    HD1  HIS   4           HD1      HIS   4 -17.297  -3.162  -3.288
   37    HD2  HIS   4           HD2      HIS   4 -18.376  -0.659  -0.144
   38    HE1  HIS   4           HE1      HIS   4 -19.711  -2.587  -3.675
   39    HE2  HIS   4           HE2      HIS   4 -20.401  -1.285  -1.629
   40    H    GLN   5           H        GLN   5 -13.229  -3.469  -2.445
   41    HA   GLN   5           HA       GLN   5 -14.415  -4.533  -4.805
   42    HB2  GLN   5           1HB      GLN   5 -13.604  -2.359  -5.699
   43    HB3  GLN   5           2HB      GLN   5 -11.982  -2.761  -5.165
   44    HG2  GLN   5           1HG      GLN   5 -12.333  -3.094  -7.584
   45    HG3  GLN   5           2HG      GLN   5 -11.840  -4.562  -6.745
   46   HE21  GLN   5          1HE2      GLN   5 -14.219  -3.051  -8.658
   47   HE22  GLN   5          2HE2      GLN   5 -15.311  -4.395  -8.758
   48    H    PHE   6           H        PHE   6 -13.531  -6.531  -5.203
   49    HA   PHE   6           HA       PHE   6 -11.148  -7.222  -3.629
   50    HB2  PHE   6           1HB      PHE   6 -13.249  -8.607  -3.361
   51    HB3  PHE   6           2HB      PHE   6 -13.000  -9.168  -5.010
   52    HD1  PHE   6           HD2      PHE   6 -10.005  -8.522  -3.139
   53    HD2  PHE   6           HD1      PHE   6 -12.956 -11.463  -3.998
   54    HE1  PHE   6           HE2      PHE   6  -8.503 -10.272  -2.281
   55    HE2  PHE   6           HE1      PHE   6 -11.452 -13.222  -3.161
   56    HZ   PHE   6           HZ       PHE   6  -9.223 -12.627  -2.298
   57    H    ASP   7           H        ASP   7 -12.250  -6.522  -6.721
   58    HA   ASP   7           HA       ASP   7 -10.217  -7.911  -8.209
   59    HB2  ASP   7           1HB      ASP   7 -12.120  -5.672  -8.900
   60    HB3  ASP   7           2HB      ASP   7 -10.871  -6.208 -10.014
   61    H    LEU   8           H        LEU   8  -8.721  -7.020  -6.359
   62    HA   LEU   8           HA       LEU   8  -7.843  -4.309  -6.696
   63    HB2  LEU   8           1HB      LEU   8  -6.645  -6.555  -5.130
   64    HB3  LEU   8           2HB      LEU   8  -6.157  -4.871  -5.056
   65    HG   LEU   8           HG       LEU   8  -8.650  -6.148  -4.043
   66   HD11  LEU   8          1HD1      LEU   8  -8.042  -4.646  -2.130
   67   HD12  LEU   8          2HD1      LEU   8  -6.904  -5.946  -2.484
   68   HD13  LEU   8          3HD1      LEU   8  -6.553  -4.302  -3.010
   69   HD21  LEU   8          3HD2      LEU   8  -8.293  -3.264  -4.813
   70   HD22  LEU   8          1HD2      LEU   8  -9.569  -4.372  -5.320
   71   HD23  LEU   8          2HD2      LEU   8  -9.500  -3.810  -3.650
   72    H    ILE   9           H        ILE   9  -7.317  -4.393  -8.948
   73    HA   ILE   9           HA       ILE   9  -5.148  -6.065  -9.824
   74    HB   ILE   9           HB       ILE   9  -6.727  -3.890 -11.216
   75   HG12  ILE   9          1HG1      ILE   9  -7.428  -5.744 -12.685
   76   HG13  ILE   9          2HG1      ILE   9  -6.432  -6.858 -11.760
   77   HG21  ILE   9          1HG2      ILE   9  -4.912  -5.484 -12.877
   78   HG22  ILE   9          2HG2      ILE   9  -5.302  -3.766 -12.944
   79   HG23  ILE   9          3HG2      ILE   9  -4.106  -4.354 -11.790
   80   HD11  ILE   9          3HD1      ILE   9  -8.910  -5.425 -10.836
   81   HD12  ILE   9          1HD1      ILE   9  -8.694  -7.158 -11.097
   82   HD13  ILE   9          2HD1      ILE   9  -7.848  -6.353  -9.771
   83    H    MET  10           H        MET  10  -3.892  -5.292  -8.031
   84    HA   MET  10           HA       MET  10  -3.034  -2.618  -7.921
   85    HB2  MET  10           1HB      MET  10  -1.205  -3.609  -6.381
   86    HB3  MET  10           2HB      MET  10  -2.885  -3.657  -5.876
   87    HG2  MET  10           1HG      MET  10  -3.046  -5.980  -6.514
   88    HG3  MET  10           2HG      MET  10  -1.399  -5.944  -7.139
   89    HE1  MET  10           3HE      MET  10  -2.121  -5.003  -2.700
   90    HE2  MET  10           1HE      MET  10  -2.201  -3.846  -4.029
   91    HE3  MET  10           2HE      MET  10  -3.450  -5.081  -3.857
   92    H    CYS  11           H        CYS  11  -1.103  -1.679  -8.275
   93    HA   CYS  11           HA       CYS  11   0.003  -1.915 -10.755
   94    HB2  CYS  11           1HB      CYS  11   0.086   0.059  -9.345
   95    HB3  CYS  11           2HB      CYS  11   1.148  -0.755  -8.213
   96    H    LEU  12           H        LEU  12   1.421  -3.073  -7.722
   97    HA   LEU  12           HA       LEU  12   3.146  -4.421  -7.213
   98    HB2  LEU  12           1HB      LEU  12   1.888  -5.888  -9.509
   99    HB3  LEU  12           2HB      LEU  12   3.116  -6.590  -8.467
  100    HG   LEU  12           HG       LEU  12   0.373  -5.647  -7.639
  101   HD11  LEU  12          1HD1      LEU  12   1.446  -8.387  -7.236
  102   HD12  LEU  12          2HD1      LEU  12  -0.219  -7.844  -7.451
  103   HD13  LEU  12          3HD1      LEU  12   0.869  -7.921  -8.837
  104   HD21  LEU  12          3HD2      LEU  12   1.591  -5.119  -5.763
  105   HD22  LEU  12          1HD2      LEU  12   1.198  -6.809  -5.443
  106   HD23  LEU  12          2HD2      LEU  12   2.793  -6.375  -6.057
  107    H    LYS  13           H        LYS  13   3.949  -2.304  -8.993
  108    HA   LYS  13           HA       LYS  13   6.066  -3.500 -10.578
  109    HB2  LYS  13           1HB      LYS  13   5.065  -0.732 -10.161
  110    HB3  LYS  13           2HB      LYS  13   6.761  -0.929 -10.590
  111    HG2  LYS  13           1HG      LYS  13   6.025  -2.308 -12.529
  112    HG3  LYS  13           2HG      LYS  13   4.362  -1.857 -12.145
  113    HD2  LYS  13           1HD      LYS  13   6.552   0.138 -12.680
  114    HD3  LYS  13           2HD      LYS  13   5.471  -0.479 -13.923
  115    HE2  LYS  13           1HE      LYS  13   3.616   0.276 -12.235
  116    HE3  LYS  13           2HE      LYS  13   4.897   1.332 -11.645
  117    HZ1  LYS  13           3HZ      LYS  13   5.088   1.738 -14.272
  118    HZ2  LYS  13           1HZ      LYS  13   4.113   2.683 -13.250
  119    HZ3  LYS  13           2HZ      LYS  13   3.424   1.422 -14.141
  120    H    GLN  14           H        GLN  14   8.311  -2.702 -10.187
  121    HA   GLN  14           HA       GLN  14   9.198  -3.620  -7.707
  122    HB2  GLN  14           1HB      GLN  14  10.412  -3.231 -10.015
  123    HB3  GLN  14           2HB      GLN  14  10.865  -1.700  -9.285
  124    HG2  GLN  14           1HG      GLN  14  11.400  -4.362  -7.999
  125    HG3  GLN  14           2HG      GLN  14  12.535  -3.561  -9.081
  126   HE21  GLN  14          1HE2      GLN  14  11.982  -4.149  -5.982
  127   HE22  GLN  14          2HE2      GLN  14  12.650  -2.728  -5.250
  128    HA   PRO  15           HA       PRO  15   8.138   0.051  -5.399
  129    HB2  PRO  15           1HB      PRO  15   8.535  -1.018  -2.943
  130    HB3  PRO  15           2HB      PRO  15   7.097  -1.339  -3.917
  131    HG2  PRO  15           1HG      PRO  15   9.508  -3.034  -3.481
  132    HG3  PRO  15           2HG      PRO  15   7.810  -3.512  -3.627
  133    HD2  PRO  15           1HD      PRO  15   9.649  -3.730  -5.648
  134    HD3  PRO  15           2HD      PRO  15   7.901  -3.573  -5.906
  135    H    GLY  16           H        GLY  16   9.219   1.717  -4.538
  136    HA2  GLY  16           2HA      GLY  16  12.120   1.449  -4.243
  137    HA3  GLY  16           1HA      GLY  16  11.223   2.961  -4.328
  138    H    VAL  17           H        VAL  17  12.006   3.867  -2.457
  139    HA   VAL  17           HA       VAL  17  11.773   2.390   0.043
  140    HB   VAL  17           HB       VAL  17  13.776   3.786  -0.403
  141   HG11  VAL  17          1HG1      VAL  17  12.673   6.341   0.290
  142   HG12  VAL  17          2HG1      VAL  17  13.657   5.884  -1.101
  143   HG13  VAL  17          3HG1      VAL  17  11.902   5.721  -1.170
  144   HG21  VAL  17          3HG2      VAL  17  12.049   4.330   1.980
  145   HG22  VAL  17          1HG2      VAL  17  13.484   3.316   1.847
  146   HG23  VAL  17          2HG2      VAL  17  13.644   5.072   1.825
  147    H    GLN  18           H        GLN  18  10.092   4.759  -1.791
  148    HA   GLN  18           HA       GLN  18   8.704   6.154   0.155
  149    HB2  GLN  18           1HB      GLN  18   7.861   5.413  -2.652
  150    HB3  GLN  18           2HB      GLN  18   6.976   6.540  -1.638
  151    HG2  GLN  18           1HG      GLN  18   8.231   8.005  -2.826
  152    HG3  GLN  18           2HG      GLN  18   9.327   7.717  -1.482
  153   HE21  GLN  18          1HE2      GLN  18   9.460   8.327  -4.518
  154   HE22  GLN  18          2HE2      GLN  18  10.740   7.300  -5.060
  155    H    THR  19           H        THR  19   7.213   5.663   1.561
  156    HA   THR  19           HA       THR  19   6.071   3.003   1.622
  157    HB   THR  19           HB       THR  19   5.703   5.295   3.564
  158    HG1  THR  19           HG1      THR  19   7.908   4.053   2.983
  159   HG21  THR  19          1HG2      THR  19   5.375   3.299   5.151
  160   HG22  THR  19          2HG2      THR  19   5.115   2.349   3.687
  161   HG23  THR  19          3HG2      THR  19   4.049   3.705   4.060
  162    H    GLY  20           H        GLY  20   3.959   2.469   1.328
  163    HA2  GLY  20           2HA      GLY  20   2.345   4.200  -0.255
  164    HA3  GLY  20           1HA      GLY  20   1.864   2.639   0.390
  165    H    LEU  21           H        LEU  21   0.828   5.611   0.271
  166    HA   LEU  21           HA       LEU  21   0.283   6.080   3.074
  167    HB2  LEU  21           1HB      LEU  21  -0.401   7.616   0.579
  168    HB3  LEU  21           2HB      LEU  21  -0.958   8.087   2.173
  169    HG   LEU  21           HG       LEU  21   1.916   7.942   1.255
  170   HD11  LEU  21          1HD1      LEU  21   1.259   9.933   0.405
  171   HD12  LEU  21          2HD1      LEU  21  -0.094  10.091   1.525
  172   HD13  LEU  21          3HD1      LEU  21   1.544  10.456   2.065
  173   HD21  LEU  21          3HD2      LEU  21   2.182   9.148   3.547
  174   HD22  LEU  21          1HD2      LEU  21   0.676   8.322   3.945
  175   HD23  LEU  21          2HD2      LEU  21   2.100   7.387   3.487
  176    H    LEU  22           H        LEU  22  -1.642   6.040   4.066
  177    HA   LEU  22           HA       LEU  22  -3.927   4.867   2.611
  178    HB2  LEU  22           1HB      LEU  22  -3.278   4.725   5.559
  179    HB3  LEU  22           2HB      LEU  22  -4.732   4.092   4.817
  180    HG   LEU  22           HG       LEU  22  -1.922   3.107   4.373
  181   HD11  LEU  22          1HD1      LEU  22  -4.294   2.079   5.896
  182   HD12  LEU  22          2HD1      LEU  22  -3.028   0.996   5.320
  183   HD13  LEU  22          3HD1      LEU  22  -2.631   2.294   6.447
  184   HD21  LEU  22          3HD2      LEU  22  -2.842   2.690   2.322
  185   HD22  LEU  22          1HD2      LEU  22  -3.367   1.248   3.193
  186   HD23  LEU  22          2HD2      LEU  22  -4.485   2.591   2.954
  187    H    CYS  23           H        CYS  23  -5.843   5.947   2.704
  188    HA   CYS  23           HA       CYS  23  -5.855   8.604   3.839
  189    HB2  CYS  23           1HB      CYS  23  -7.923   8.939   2.793
  190    HB3  CYS  23           2HB      CYS  23  -7.084   7.868   1.679
  191    H    GLU  24           H        GLU  24  -7.378   9.246   5.476
  192    HA   GLU  24           HA       GLU  24  -7.272   7.737   7.780
  193    HB2  GLU  24           1HB      GLU  24  -9.415   9.754   7.084
  194    HB3  GLU  24           2HB      GLU  24  -8.912   9.278   8.702
  195    HG2  GLU  24           1HG      GLU  24  -6.695  10.215   8.288
  196    HG3  GLU  24           2HG      GLU  24  -7.201  10.691   6.668
  197    H    LYS  25           H        LYS  25  -9.715   7.679   5.262
  198    HA   LYS  25           HA       LYS  25 -11.643   6.198   6.715
  199    HB2  LYS  25           1HB      LYS  25 -11.268   6.437   3.725
  200    HB3  LYS  25           2HB      LYS  25 -12.712   5.844   4.535
  201    HG2  LYS  25           1HG      LYS  25 -13.016   8.015   5.605
  202    HG3  LYS  25           2HG      LYS  25 -11.565   8.614   4.806
  203    HD2  LYS  25           1HD      LYS  25 -13.493   9.386   3.597
  204    HD3  LYS  25           2HD      LYS  25 -12.657   8.180   2.617
  205    HE2  LYS  25           1HE      LYS  25 -14.275   6.537   3.069
  206    HE3  LYS  25           2HE      LYS  25 -14.959   7.461   4.406
  207    HZ1  LYS  25           3HZ      LYS  25 -16.098   8.826   3.006
  208    HZ2  LYS  25           1HZ      LYS  25 -16.117   7.408   2.081
  209    HZ3  LYS  25           2HZ      LYS  25 -15.009   8.643   1.719
  210    H    CYS  26           H        CYS  26  -8.776   5.237   4.975
  211    HA   CYS  26           HA       CYS  26  -9.519   2.396   5.354
  212    HB2  CYS  26           1HB      CYS  26  -7.251   3.474   3.661
  213    HB3  CYS  26           2HB      CYS  26  -7.774   1.799   3.780
  214    H    ASP  27           H        ASP  27  -8.844   3.969   7.521
  215    HA   ASP  27           HA       ASP  27  -6.112   3.997   8.157
  216    HB2  ASP  27           1HB      ASP  27  -7.867   5.386   9.237
  217    HB3  ASP  27           2HB      ASP  27  -8.475   3.953  10.045
  218    H    GLY  28           H        GLY  28  -4.813   2.372   8.551
  219    HA2  GLY  28           2HA      GLY  28  -3.955   0.450   9.464
  220    HA3  GLY  28           1HA      GLY  28  -5.391   0.371  10.470
  221    H    LYS  29           H        LYS  29  -5.076   0.193   6.928
  222    HA   LYS  29           HA       LYS  29  -6.225  -2.521   7.082
  223    HB2  LYS  29           1HB      LYS  29  -6.604  -0.614   4.778
  224    HB3  LYS  29           2HB      LYS  29  -7.440  -2.130   5.070
  225    HG2  LYS  29           1HG      LYS  29  -8.546  -1.146   7.017
  226    HG3  LYS  29           2HG      LYS  29  -7.721   0.383   6.698
  227    HD2  LYS  29           1HD      LYS  29  -9.886   0.583   5.759
  228    HD3  LYS  29           2HD      LYS  29  -8.775   0.338   4.410
  229    HE2  LYS  29           1HE      LYS  29  -9.343  -2.123   4.559
  230    HE3  LYS  29           2HE      LYS  29 -10.632  -1.655   5.663
  231    HZ1  LYS  29           3HZ      LYS  29 -10.660  -1.658   2.869
  232    HZ2  LYS  29           1HZ      LYS  29 -10.819  -0.044   3.383
  233    HZ3  LYS  29           2HZ      LYS  29 -11.904  -1.223   3.932
  234    H    CYS  30           H        CYS  30  -5.309  -4.098   5.878
  235    HA   CYS  30           HA       CYS  30  -2.739  -3.589   4.648
  236    HB2  CYS  30           1HB      CYS  30  -3.021  -5.638   5.898
  237    HB3  CYS  30           2HB      CYS  30  -4.426  -6.085   4.937
  238    HA   PRO  31           HA       PRO  31  -4.647  -2.513   0.782
  239    HB2  PRO  31           1HB      PRO  31  -1.938  -2.952  -0.314
  240    HB3  PRO  31           2HB      PRO  31  -2.949  -1.506  -0.352
  241    HG2  PRO  31           1HG      PRO  31  -0.811  -1.656   1.245
  242    HG3  PRO  31           2HG      PRO  31  -2.293  -0.827   1.757
  243    HD2  PRO  31           1HD      PRO  31  -1.277  -3.538   2.513
  244    HD3  PRO  31           2HD      PRO  31  -2.080  -2.313   3.518
  245    H    ILE  32           H        ILE  32  -2.441  -5.267   0.964
  246    HA   ILE  32           HA       ILE  32  -2.981  -6.308  -1.566
  247    HB   ILE  32           HB       ILE  32  -2.169  -7.912   0.860
  248   HG12  ILE  32          1HG1      ILE  32  -0.760  -5.837   0.327
  249   HG13  ILE  32          2HG1      ILE  32   0.094  -7.371   0.431
  250   HG21  ILE  32          1HG2      ILE  32  -1.548  -8.425  -2.042
  251   HG22  ILE  32          2HG2      ILE  32  -1.276  -9.502  -0.673
  252   HG23  ILE  32          3HG2      ILE  32  -2.921  -9.144  -1.200
  253   HD11  ILE  32          3HD1      ILE  32   0.649  -5.741  -1.478
  254   HD12  ILE  32          1HD1      ILE  32   0.470  -7.459  -1.843
  255   HD13  ILE  32          2HD1      ILE  32  -0.843  -6.338  -2.208
  256    H    CYS  33           H        CYS  33  -4.548  -7.011   1.544
  257    HA   CYS  33           HA       CYS  33  -6.411  -8.742   0.078
  258    HB2  CYS  33           1HB      CYS  33  -6.683 -10.019   2.151
  259    HB3  CYS  33           2HB      CYS  33  -5.003  -9.974   1.628
  260    H    ASP  34           H        ASP  34  -6.238  -5.859   1.837
  261    HA   ASP  34           HA       ASP  34  -7.776  -4.370   2.570
  262    HB2  ASP  34           1HB      ASP  34  -8.867  -4.667   0.422
  263    HB3  ASP  34           2HB      ASP  34  -9.694  -6.109   1.003
  264    H    SER  35           H        SER  35  -7.333  -5.049   4.708
  265    HA   SER  35           HA       SER  35  -9.606  -5.792   6.226
  266    HB2  SER  35           1HB      SER  35  -8.977  -8.034   5.322
  267    HB3  SER  35           2HB      SER  35  -7.397  -7.865   6.085
  268    HG   SER  35           HG       SER  35  -9.294  -9.013   7.206
  269    H    TYR  36           H        TYR  36  -9.213  -5.635   8.497
  270    HA   TYR  36           HA       TYR  36  -6.920  -3.951   9.127
  271    HB2  TYR  36           1HB      TYR  36  -9.331  -4.757  10.770
  272    HB3  TYR  36           2HB      TYR  36  -8.063  -3.682  11.337
  273    HD1  TYR  36           HD2      TYR  36 -10.189  -3.927   8.251
  274    HD2  TYR  36           HD1      TYR  36  -8.680  -1.485  11.389
  275    HE1  TYR  36           HE2      TYR  36 -11.418  -2.007   7.339
  276    HE2  TYR  36           HE1      TYR  36  -9.915   0.440  10.492
  277    HH   TYR  36           HH       TYR  36 -11.254   1.191   8.893
  278    H    VAL  37           H        VAL  37  -6.755  -6.905   8.653
  279    HA   VAL  37           HA       VAL  37  -6.264  -8.222  11.103
  280    HB   VAL  37           HB       VAL  37  -6.801  -9.431   9.043
  281   HG11  VAL  37          1HG1      VAL  37  -5.767  -9.119   7.117
  282   HG12  VAL  37          2HG1      VAL  37  -4.869  -7.813   7.891
  283   HG13  VAL  37          3HG1      VAL  37  -4.190  -9.439   7.840
  284   HG21  VAL  37          3HG2      VAL  37  -5.305 -11.275   9.286
  285   HG22  VAL  37          1HG2      VAL  37  -4.058 -10.240   9.984
  286   HG23  VAL  37          2HG2      VAL  37  -5.545 -10.555  10.879
  287    H    ARG  38           H        ARG  38  -4.261  -8.962  11.951
  288    HA   ARG  38           HA       ARG  38  -2.485  -7.089  12.687
  289    HB2  ARG  38           1HB      ARG  38  -0.893  -8.935  13.217
  290    HB3  ARG  38           2HB      ARG  38  -2.536  -9.236  13.766
  291    HG2  ARG  38           1HG      ARG  38  -2.931 -10.767  11.985
  292    HG3  ARG  38           2HG      ARG  38  -1.413 -10.329  11.198
  293    HD2  ARG  38           1HD      ARG  38  -1.196 -12.460  12.336
  294    HD3  ARG  38           2HD      ARG  38  -0.171 -11.245  13.096
  295    HE   ARG  38           HE       ARG  38  -2.573 -11.249  14.489
  296   HH11  ARG  38          2HH1      ARG  38   0.026 -13.493  13.824
  297   HH12  ARG  38          1HH1      ARG  38  -0.148 -14.348  15.322
  298   HH21  ARG  38          2HH2      ARG  38  -2.814 -12.350  16.454
  299   HH22  ARG  38          1HH2      ARG  38  -1.779 -13.706  16.827
  300    HA   PRO  39           HA       PRO  39   0.016  -6.178   9.108
  301    HB2  PRO  39           1HB      PRO  39   1.684  -4.602  10.897
  302    HB3  PRO  39           2HB      PRO  39   0.597  -4.051   9.622
  303    HG2  PRO  39           1HG      PRO  39   0.109  -3.640  12.257
  304    HG3  PRO  39           2HG      PRO  39  -1.181  -3.825  11.055
  305    HD2  PRO  39           1HD      PRO  39  -0.087  -5.838  12.988
  306    HD3  PRO  39           2HD      PRO  39  -1.775  -5.513  12.535
  307    H    LYS  40           H        LYS  40   2.681  -5.644   9.166
  308    HA   LYS  40           HA       LYS  40   4.251  -7.401  10.728
  309    HB2  LYS  40           1HB      LYS  40   3.110  -9.092   9.322
  310    HB3  LYS  40           2HB      LYS  40   3.735  -8.297   7.886
  311    HG2  LYS  40           1HG      LYS  40   5.143 -10.119   8.211
  312    HG3  LYS  40           2HG      LYS  40   6.051  -8.745   8.838
  313    HD2  LYS  40           1HD      LYS  40   4.376 -10.494  10.623
  314    HD3  LYS  40           2HD      LYS  40   6.046 -10.900  10.220
  315    HE2  LYS  40           1HE      LYS  40   6.751  -8.703  11.115
  316    HE3  LYS  40           2HE      LYS  40   5.083  -8.394  11.599
  317    HZ1  LYS  40           3HZ      LYS  40   5.343 -10.622  12.843
  318    HZ2  LYS  40           1HZ      LYS  40   6.029  -9.226  13.510
  319    HZ3  LYS  40           2HZ      LYS  40   7.009 -10.338  12.691
  320    H    ARG  41           H        ARG  41   3.956  -5.788   7.584
  321    HA   ARG  41           HA       ARG  41   6.592  -4.564   7.961
  322    HB2  ARG  41           1HB      ARG  41   7.121  -6.594   6.811
  323    HB3  ARG  41           2HB      ARG  41   5.779  -6.392   5.699
  324    HG2  ARG  41           1HG      ARG  41   6.913  -4.463   4.698
  325    HG3  ARG  41           2HG      ARG  41   8.270  -4.707   5.803
  326    HD2  ARG  41           1HD      ARG  41   7.276  -6.824   3.905
  327    HD3  ARG  41           2HD      ARG  41   8.556  -5.684   3.499
  328    HE   ARG  41           HE       ARG  41   9.371  -6.800   5.859
  329   HH11  ARG  41          2HH1      ARG  41   8.334  -8.179   2.798
  330   HH12  ARG  41          1HH1      ARG  41   9.513  -9.462   2.834
  331   HH21  ARG  41          2HH2      ARG  41  10.894  -8.498   5.920
  332   HH22  ARG  41          1HH2      ARG  41  10.942  -9.667   4.634
  333    H    LYS  42           H        LYS  42   6.740  -2.534   7.094
  334    HA   LYS  42           HA       LYS  42   4.372  -1.216   6.328
  335    HB2  LYS  42           1HB      LYS  42   7.228  -0.456   6.510
  336    HB3  LYS  42           2HB      LYS  42   6.222   0.523   5.449
  337    HG2  LYS  42           1HG      LYS  42   4.617   0.664   7.455
  338    HG3  LYS  42           2HG      LYS  42   5.999   0.116   8.405
  339    HD2  LYS  42           1HD      LYS  42   7.297   2.015   7.719
  340    HD3  LYS  42           2HD      LYS  42   6.051   2.512   6.573
  341    HE2  LYS  42           1HE      LYS  42   4.497   2.798   8.507
  342    HE3  LYS  42           2HE      LYS  42   5.857   2.484   9.583
  343    HZ1  LYS  42           3HZ      LYS  42   6.422   4.607   9.433
  344    HZ2  LYS  42           1HZ      LYS  42   5.108   4.909   8.404
  345    HZ3  LYS  42           2HZ      LYS  42   6.612   4.472   7.752
  346    H    VAL  43           H        VAL  43   3.553  -0.566   4.482
  347    HA   VAL  43           HA       VAL  43   4.118  -2.052   2.127
  348    HB   VAL  43           HB       VAL  43   2.172   0.031   2.952
  349   HG11  VAL  43          1HG1      VAL  43   1.296   0.159   0.628
  350   HG12  VAL  43          2HG1      VAL  43   2.841   0.975   0.870
  351   HG13  VAL  43          3HG1      VAL  43   2.791  -0.601   0.082
  352   HG21  VAL  43          3HG2      VAL  43   2.079  -2.638   2.889
  353   HG22  VAL  43          1HG2      VAL  43   0.650  -1.621   2.689
  354   HG23  VAL  43          2HG2      VAL  43   1.462  -2.292   1.275
  355    H    ARG  44           H        ARG  44   5.266  -1.525   0.363
  356    HA   ARG  44           HA       ARG  44   6.334   1.210   0.204
  357    HB2  ARG  44           1HB      ARG  44   7.782  -1.374  -0.407
  358    HB3  ARG  44           2HB      ARG  44   8.403   0.227  -0.792
  359    HG2  ARG  44           1HG      ARG  44   8.576   0.808   1.502
  360    HG3  ARG  44           2HG      ARG  44   7.667  -0.619   1.997
  361    HD2  ARG  44           1HD      ARG  44  10.048  -0.896   2.418
  362    HD3  ARG  44           2HD      ARG  44   9.472  -2.053   1.220
  363    HE   ARG  44           HE       ARG  44  10.415   0.083  -0.232
  364   HH11  ARG  44          2HH1      ARG  44  11.763  -2.024   2.219
  365   HH12  ARG  44          1HH1      ARG  44  13.356  -2.032   1.517
  366   HH21  ARG  44          2HH2      ARG  44  12.499   0.082  -1.151
  367   HH22  ARG  44          1HH2      ARG  44  13.779  -0.821  -0.399
  368    H    VAL  45           H        VAL  45   5.946   2.212  -1.653
  369    HA   VAL  45           HA       VAL  45   4.637   0.655  -3.764
  370    HB   VAL  45           HB       VAL  45   3.815   2.842  -4.606
  371   HG11  VAL  45          1HG1      VAL  45   2.644   1.357  -2.868
  372   HG12  VAL  45          2HG1      VAL  45   3.101   2.601  -1.704
  373   HG13  VAL  45          3HG1      VAL  45   2.065   3.010  -3.071
  374   HG21  VAL  45          3HG2      VAL  45   4.289   4.346  -2.189
  375   HG22  VAL  45          1HG2      VAL  45   5.808   3.898  -2.966
  376   HG23  VAL  45          2HG2      VAL  45   4.588   4.797  -3.867
  377    H    CYS  46           H        CYS  46   5.096   1.117  -5.987
  378    HA   CYS  46           HA       CYS  46   7.877   1.245  -6.517
  379    HB2  CYS  46           1HB      CYS  46   7.362   0.724  -8.707
  380    HB3  CYS  46           2HB      CYS  46   5.951   0.087  -7.874
  381    H    GLU  47           H        GLU  47   9.057   2.843  -7.540
  382    HA   GLU  47           HA       GLU  47   8.616   5.440  -6.637
  383    HB2  GLU  47           1HB      GLU  47  10.809   4.397  -7.300
  384    HB3  GLU  47           2HB      GLU  47  10.353   4.648  -8.978
  385    HG2  GLU  47           1HG      GLU  47  10.131   7.066  -7.386
  386    HG3  GLU  47           2HG      GLU  47  11.760   6.393  -7.389
  387    H    ASN  48           H        ASN  48   7.649   3.849  -9.559
  388    HA   ASN  48           HA       ASN  48   6.969   6.064 -11.140
  389    HB2  ASN  48           1HB      ASN  48   6.192   3.191 -11.071
  390    HB3  ASN  48           2HB      ASN  48   5.154   4.289 -11.968
  391   HD21  ASN  48          1HD2      ASN  48   7.806   2.329 -12.150
  392   HD22  ASN  48          2HD2      ASN  48   8.513   2.960 -13.597
  393    H    CYS  49           H        CYS  49   5.309   4.603  -8.405
  394    HA   CYS  49           HA       CYS  49   3.015   6.401  -8.855
  395    HB2  CYS  49           1HB      CYS  49   3.284   4.093  -6.927
  396    HB3  CYS  49           2HB      CYS  49   1.862   5.113  -7.099
  397    H    SER  50           H        SER  50   5.660   7.266  -7.857
  398    HA   SER  50           HA       SER  50   4.809   8.196  -5.195
  399    HB2  SER  50           1HB      SER  50   7.648   8.289  -6.215
  400    HB3  SER  50           2HB      SER  50   7.070   8.416  -4.553
  401    HG   SER  50           HG       SER  50   6.226   6.108  -5.621
  402    H    PHE  51           H        PHE  51   5.784   9.081  -8.379
  403    HA   PHE  51           HA       PHE  51   5.634  11.927  -7.709
  404    HB2  PHE  51           1HB      PHE  51   6.455  12.296 -10.038
  405    HB3  PHE  51           2HB      PHE  51   7.575  11.396  -9.027
  406    HD1  PHE  51           HD2      PHE  51   4.938  10.919 -11.618
  407    HD2  PHE  51           HD1      PHE  51   8.454   9.395  -9.770
  408    HE1  PHE  51           HE2      PHE  51   5.081   9.169 -13.339
  409    HE2  PHE  51           HE1      PHE  51   8.605   7.647 -11.492
  410    HZ   PHE  51           HZ       PHE  51   6.917   7.530 -13.279
  411    H    GLY  52           H        GLY  52   4.172  13.298  -8.770
  412    HA2  GLY  52           2HA      GLY  52   2.392  13.786 -10.236
  413    HA3  GLY  52           1HA      GLY  52   2.152  12.065 -10.486
  414    H    LYS  53           H        LYS  53  -0.087  13.107 -10.229
  415    HA   LYS  53           HA       LYS  53  -0.994  13.820  -7.640
  416    HB2  LYS  53           1HB      LYS  53  -2.172  14.618  -9.576
  417    HB3  LYS  53           2HB      LYS  53  -2.454  12.983 -10.150
  418    HG2  LYS  53           1HG      LYS  53  -4.504  13.502  -9.298
  419    HG3  LYS  53           2HG      LYS  53  -3.761  12.730  -7.900
  420    HD2  LYS  53           1HD      LYS  53  -3.726  15.709  -8.332
  421    HD3  LYS  53           2HD      LYS  53  -5.027  14.884  -7.475
  422    HE2  LYS  53           1HE      LYS  53  -3.234  13.921  -5.965
  423    HE3  LYS  53           2HE      LYS  53  -2.124  15.075  -6.706
  424    HZ1  LYS  53           3HZ      LYS  53  -2.996  16.012  -4.701
  425    HZ2  LYS  53           1HZ      LYS  53  -4.594  15.699  -5.177
  426    HZ3  LYS  53           2HZ      LYS  53  -3.673  16.859  -6.006
  427    H    GLN  54           H        GLN  54  -1.338  10.827  -9.543
  428    HA   GLN  54           HA       GLN  54  -2.742   9.482  -7.422
  429    HB2  GLN  54           1HB      GLN  54  -3.060   9.015  -9.880
  430    HB3  GLN  54           2HB      GLN  54  -1.482   8.240  -9.872
  431    HG2  GLN  54           1HG      GLN  54  -3.167   6.556  -9.709
  432    HG3  GLN  54           2HG      GLN  54  -2.314   6.650  -8.170
  433   HE21  GLN  54          1HE2      GLN  54  -4.595   9.122  -9.002
  434   HE22  GLN  54          2HE2      GLN  54  -5.849   8.619  -7.910
  435    H    ALA  55           H        ALA  55  -0.656  10.336  -6.153
  436    HA   ALA  55           HA       ALA  55   1.016   7.950  -5.738
  437    HB1  ALA  55           3HB      ALA  55   2.986   9.309  -5.498
  438    HB2  ALA  55           1HB      ALA  55   2.240   9.657  -7.059
  439    HB3  ALA  55           2HB      ALA  55   2.043  10.783  -5.716
  440    H    LYS  56           H        LYS  56   0.202  11.150  -4.404
  441    HA   LYS  56           HA       LYS  56   0.756  10.293  -1.717
  442    HB2  LYS  56           1HB      LYS  56  -0.549  12.838  -2.688
  443    HB3  LYS  56           2HB      LYS  56   0.055  12.539  -1.062
  444    HG2  LYS  56           1HG      LYS  56   1.686  12.688  -3.589
  445    HG3  LYS  56           2HG      LYS  56   1.651  13.870  -2.277
  446    HD2  LYS  56           1HD      LYS  56   2.966  12.608  -0.926
  447    HD3  LYS  56           2HD      LYS  56   2.303  11.085  -1.527
  448    HE2  LYS  56           1HE      LYS  56   4.598  11.242  -2.197
  449    HE3  LYS  56           2HE      LYS  56   3.576  11.416  -3.622
  450    HZ1  LYS  56           3HZ      LYS  56   4.778  13.692  -2.140
  451    HZ2  LYS  56           1HZ      LYS  56   3.930  13.770  -3.608
  452    HZ3  LYS  56           2HZ      LYS  56   5.442  13.006  -3.541
  453    H    ASN  57           H        ASN  57  -1.914  10.186  -3.803
  454    HA   ASN  57           HA       ASN  57  -3.986  10.228  -1.841
  455    HB2  ASN  57           1HB      ASN  57  -4.008   8.901  -4.560
  456    HB3  ASN  57           2HB      ASN  57  -5.412   9.175  -3.545
  457   HD21  ASN  57          1HD2      ASN  57  -4.258  10.161  -6.257
  458   HD22  ASN  57          2HD2      ASN  57  -4.623  11.847  -6.215
  459    H    CYS  58           H        CYS  58  -5.108   8.504  -0.984
  460    HA   CYS  58           HA       CYS  58  -3.711   6.445   0.180
  461    HB2  CYS  58           1HB      CYS  58  -5.851   7.192   0.956
  462    HB3  CYS  58           2HB      CYS  58  -6.619   6.717  -0.547
  463    H    ILE  59           H        ILE  59  -3.125   4.454  -0.354
  464    HA   ILE  59           HA       ILE  59  -3.091   3.776  -3.112
  465    HB   ILE  59           HB       ILE  59  -1.804   1.783  -2.373
  466   HG12  ILE  59          1HG1      ILE  59  -2.358   2.926   0.376
  467   HG13  ILE  59          2HG1      ILE  59  -2.812   1.332  -0.220
  468   HG21  ILE  59          1HG2      ILE  59  -0.094   3.175  -2.585
  469   HG22  ILE  59          2HG2      ILE  59  -1.150   4.533  -2.196
  470   HG23  ILE  59          3HG2      ILE  59  -0.291   3.685  -0.907
  471   HD11  ILE  59          3HD1      ILE  59  -0.939   0.552   0.655
  472   HD12  ILE  59          1HD1      ILE  59  -0.039   1.493  -0.533
  473   HD13  ILE  59          2HD1      ILE  59  -0.388   2.184   1.060
  474    H    ILE  60           H        ILE  60  -4.885   2.521  -0.345
  475    HA   ILE  60           HA       ILE  60  -5.726   0.147  -1.641
  476    HB   ILE  60           HB       ILE  60  -6.957   1.492   0.765
  477   HG12  ILE  60          1HG1      ILE  60  -4.822  -0.639   0.522
  478   HG13  ILE  60          2HG1      ILE  60  -4.605   0.996   1.136
  479   HG21  ILE  60          1HG2      ILE  60  -8.327  -0.273   1.024
  480   HG22  ILE  60          2HG2      ILE  60  -8.059  -0.510  -0.703
  481   HG23  ILE  60          3HG2      ILE  60  -7.112  -1.426   0.470
  482   HD11  ILE  60          3HD1      ILE  60  -5.516   0.507   3.151
  483   HD12  ILE  60          1HD1      ILE  60  -6.613  -0.705   2.488
  484   HD13  ILE  60          2HD1      ILE  60  -4.909  -1.094   2.730
  485    H    CYS  61           H        CYS  61  -7.444   3.222  -1.021
  486    HA   CYS  61           HA       CYS  61  -9.568   2.215  -2.766
  487    HB2  CYS  61           1HB      CYS  61 -11.045   3.858  -1.845
  488    HB3  CYS  61           2HB      CYS  61 -10.244   3.038  -0.510
  489    H    ASN  62           H        ASN  62  -6.825   3.804  -3.110
  490    HA   ASN  62           HA       ASN  62  -5.999   5.482  -4.466
  491    HB2  ASN  62           1HB      ASN  62  -6.744   4.934  -6.887
  492    HB3  ASN  62           2HB      ASN  62  -5.822   3.751  -5.972
  493   HD21  ASN  62          1HD2      ASN  62  -8.810   4.491  -7.488
  494   HD22  ASN  62          2HD2      ASN  62  -9.537   2.938  -7.289
  495    H    LEU  63           H        LEU  63  -7.980   6.795  -3.164
  496    HA   LEU  63           HA       LEU  63  -9.113   8.451  -5.305
  497    HB2  LEU  63           1HB      LEU  63 -10.556   6.556  -3.926
  498    HB3  LEU  63           2HB      LEU  63 -10.909   8.022  -3.036
  499    HG   LEU  63           HG       LEU  63 -12.636   7.790  -4.625
  500   HD11  LEU  63          1HD1      LEU  63 -11.477   9.614  -6.429
  501   HD12  LEU  63          2HD1      LEU  63 -12.530   9.957  -5.056
  502   HD13  LEU  63          3HD1      LEU  63 -10.780   9.946  -4.842
  503   HD21  LEU  63          3HD2      LEU  63 -12.330   7.296  -6.935
  504   HD22  LEU  63          1HD2      LEU  63 -10.579   7.470  -6.797
  505   HD23  LEU  63          2HD2      LEU  63 -11.398   6.122  -6.006
  506    H    ASN  64           H        ASN  64  -9.297   8.225  -1.762
  507    HA   ASN  64           HA       ASN  64  -9.055  11.095  -1.505
  508    HB2  ASN  64           1HB      ASN  64  -9.101   9.002   0.684
  509    HB3  ASN  64           2HB      ASN  64  -9.382  10.730   0.871
  510   HD21  ASN  64          1HD2      ASN  64 -10.846   7.828   0.715
  511   HD22  ASN  64          2HD2      ASN  64 -12.423   8.310   0.197
  512    H    VAL  65           H        VAL  65  -7.319  12.217  -0.652
  513    HA   VAL  65           HA       VAL  65  -4.724  11.272  -1.062
  514    HB   VAL  65           HB       VAL  65  -5.561  13.475   0.837
  515   HG11  VAL  65          1HG1      VAL  65  -3.402  14.008   1.103
  516   HG12  VAL  65          2HG1      VAL  65  -3.066  12.378   0.520
  517   HG13  VAL  65          3HG1      VAL  65  -3.032  13.741  -0.600
  518   HG21  VAL  65          3HG2      VAL  65  -6.274  14.560  -0.968
  519   HG22  VAL  65          1HG2      VAL  65  -4.603  14.585  -1.535
  520   HG23  VAL  65          2HG2      VAL  65  -5.687  13.288  -2.037
  521    H    GLY  66           H        GLY  66  -3.264  10.207   0.175
  522    HA2  GLY  66           2HA      GLY  66  -4.286   8.912   2.564
  523    HA3  GLY  66           1HA      GLY  66  -2.798   8.523   1.719
  524    H    VAL  67           H        VAL  67  -3.362   8.952   4.580
  525    HA   VAL  67           HA       VAL  67  -1.325  11.030   5.048
  526    HB   VAL  67           HB       VAL  67  -2.380  11.495   7.242
  527   HG11  VAL  67          1HG1      VAL  67  -4.648  12.177   5.606
  528   HG12  VAL  67          2HG1      VAL  67  -3.384  13.220   6.260
  529   HG13  VAL  67          3HG1      VAL  67  -3.143  12.404   4.715
  530   HG21  VAL  67          3HG2      VAL  67  -3.627   9.496   7.643
  531   HG22  VAL  67          1HG2      VAL  67  -4.767  10.841   7.550
  532   HG23  VAL  67          2HG2      VAL  67  -4.586   9.743   6.181
  533    H    ASN  68           H        ASN  68  -2.774   8.004   6.050
  534    HA   ASN  68           HA       ASN  68  -0.740   7.452   8.030
  535    HB2  ASN  68           1HB      ASN  68  -2.772   5.507   6.915
  536    HB3  ASN  68           2HB      ASN  68  -1.906   5.398   8.441
  537   HD21  ASN  68          1HD2      ASN  68  -2.721   6.302  10.197
  538   HD22  ASN  68          2HD2      ASN  68  -4.201   7.180  10.245
  539    H    ASP  69           H        ASP  69   0.259   5.157   7.865
  540    HA   ASP  69           HA       ASP  69   1.228   4.723   5.100
  541    HB2  ASP  69           1HB      ASP  69   2.612   3.976   7.699
  542    HB3  ASP  69           2HB      ASP  69   3.207   3.617   6.084
  543    H    ALA  70           H        ALA  70   0.874   2.807   4.215
  544    HA   ALA  70           HA       ALA  70  -0.895   0.986   5.560
  545    HB1  ALA  70           3HB      ALA  70   0.170  -0.121   3.154
  546    HB2  ALA  70           1HB      ALA  70  -1.464   0.455   3.487
  547    HB3  ALA  70           2HB      ALA  70  -0.237   1.574   2.890
  548    H    PHE  71           H        PHE  71  -0.516  -1.200   5.968
  549    HA   PHE  71           HA       PHE  71   2.298  -2.041   6.009
  550    HB2  PHE  71           1HB      PHE  71   0.230  -2.424   8.176
  551    HB3  PHE  71           2HB      PHE  71   1.661  -3.435   8.054
  552    HD1  PHE  71           HD1      PHE  71   0.785   0.200   8.120
  553    HD2  PHE  71           HD2      PHE  71   3.439  -2.885   9.363
  554    HE1  PHE  71           HE1      PHE  71   2.028   1.825   9.486
  555    HE2  PHE  71           HE2      PHE  71   4.695  -1.264  10.719
  556    HZ   PHE  71           HZ       PHE  71   3.988   1.093  10.785
  557    H    TYR  72           H        TYR  72   2.636  -4.046   5.183
  558    HA   TYR  72           HA       TYR  72   0.422  -5.522   4.039
  559    HB2  TYR  72           1HB      TYR  72   3.279  -6.437   4.459
  560    HB3  TYR  72           2HB      TYR  72   2.072  -7.211   3.444
  561    HD1  TYR  72           HD1      TYR  72   1.312  -6.027   1.350
  562    HD2  TYR  72           HD2      TYR  72   4.655  -4.726   3.634
  563    HE1  TYR  72           HE1      TYR  72   2.154  -4.791  -0.600
  564    HE2  TYR  72           HE2      TYR  72   5.498  -3.474   1.697
  565    HH   TYR  72           HH       TYR  72   3.919  -3.654  -1.458
  566    H    CYS  73           H        CYS  73  -0.780  -6.927   5.184
  567    HA   CYS  73           HA       CYS  73  -0.299  -7.325   7.933
  568    HB2  CYS  73           1HB      CYS  73  -2.272  -8.596   7.990
  569    HB3  CYS  73           2HB      CYS  73  -2.550  -7.415   6.717
  570    H    TRP  74           H        TRP  74   0.060  -9.358   9.014
  571    HA   TRP  74           HA       TRP  74   2.392 -10.595   8.281
  572    HB2  TRP  74           1HB      TRP  74   1.558 -10.767  10.531
  573    HB3  TRP  74           2HB      TRP  74   0.142 -11.664   9.991
  574    HD1  TRP  74           HD1      TRP  74   3.934 -12.295   9.354
  575    HE1  TRP  74           HE1      TRP  74   4.430 -14.751   9.951
  576    HE3  TRP  74           HE3      TRP  74  -0.704 -13.667  10.982
  577    HZ2  TRP  74           HZ2      TRP  74   3.029 -16.974  10.991
  578    HZ3  TRP  74           HZ3      TRP  74  -1.048 -15.979  11.764
  579    HH2  TRP  74           HH2      TRP  74   0.782 -17.597  11.767
  580    H    GLU  75           H        GLU  75  -0.901 -11.645   7.518
  581    HA   GLU  75           HA       GLU  75  -0.293 -14.145   6.426
  582    HB2  GLU  75           1HB      GLU  75  -2.486 -12.234   5.619
  583    HB3  GLU  75           2HB      GLU  75  -2.421 -13.942   5.211
  584    HG2  GLU  75           1HG      GLU  75  -2.415 -14.401   7.693
  585    HG3  GLU  75           2HG      GLU  75  -2.809 -12.694   7.909
  586    H    CYS  76           H        CYS  76  -0.679 -11.016   4.763
  587    HA   CYS  76           HA       CYS  76  -0.074 -12.016   2.210
  588    HB2  CYS  76           1HB      CYS  76  -0.000  -9.212   3.321
  589    HB3  CYS  76           2HB      CYS  76   0.324  -9.580   1.629
  590    H    CYS  77           H        CYS  77   1.998 -10.707   4.751
  591    HA   CYS  77           HA       CYS  77   4.378 -10.668   3.161
  592    HB2  CYS  77           1HB      CYS  77   3.968 -10.787   6.154
  593    HB3  CYS  77           2HB      CYS  77   5.550 -10.661   5.391
  594    HG   CYS  77           HG       CYS  77   5.062  -8.187   4.221
  595    H    ARG  78           H        ARG  78   2.880 -13.002   5.326
  596    HA   ARG  78           HA       ARG  78   4.845 -14.984   5.341
  597    HB2  ARG  78           1HB      ARG  78   2.845 -14.861   6.817
  598    HB3  ARG  78           2HB      ARG  78   1.844 -15.328   5.452
  599    HG2  ARG  78           1HG      ARG  78   3.135 -17.452   5.320
  600    HG3  ARG  78           2HG      ARG  78   3.949 -16.980   6.817
  601    HD2  ARG  78           1HD      ARG  78   1.711 -16.777   7.890
  602    HD3  ARG  78           2HD      ARG  78   0.997 -17.425   6.417
  603    HE   ARG  78           HE       ARG  78   2.995 -19.179   7.351
  604   HH11  ARG  78          2HH1      ARG  78  -0.263 -18.098   8.068
  605   HH12  ARG  78          1HH1      ARG  78  -0.690 -19.558   8.912
  606   HH21  ARG  78          2HH2      ARG  78   2.445 -21.077   8.454
  607   HH22  ARG  78          1HH2      ARG  78   0.866 -21.245   9.172
  608    H    LEU  79           H        LEU  79   2.010 -14.606   3.228
  609    HA   LEU  79           HA       LEU  79   2.632 -16.873   1.617
  610    HB2  LEU  79           1HB      LEU  79   0.847 -14.533   0.939
  611    HB3  LEU  79           2HB      LEU  79   0.843 -16.109   0.169
  612    HG   LEU  79           HG       LEU  79  -0.019 -15.463   2.987
  613   HD11  LEU  79          1HD1      LEU  79  -1.518 -15.020   0.954
  614   HD12  LEU  79          2HD1      LEU  79  -1.637 -16.776   0.843
  615   HD13  LEU  79          3HD1      LEU  79  -2.182 -15.945   2.300
  616   HD21  LEU  79          3HD2      LEU  79   0.332 -18.127   1.633
  617   HD22  LEU  79          1HD2      LEU  79   1.097 -17.560   3.118
  618   HD23  LEU  79          2HD2      LEU  79  -0.636 -17.887   3.087
  619    H    GLY  80           H        GLY  80   3.529 -13.527   1.549
  620    HA2  GLY  80           2HA      GLY  80   5.412 -12.698   0.411
  621    HA3  GLY  80           1HA      GLY  80   5.349 -14.086  -0.666
  622    H    LYS  81           H        LYS  81   2.888 -11.683   0.210
  623    HA   LYS  81           HA       LYS  81   2.204 -11.333  -2.584
  624    HB2  LYS  81           1HB      LYS  81   1.154  -9.782  -0.216
  625    HB3  LYS  81           2HB      LYS  81   0.411  -9.941  -1.798
  626    HG2  LYS  81           1HG      LYS  81   0.774 -12.181   0.182
  627    HG3  LYS  81           2HG      LYS  81  -0.715 -11.275  -0.075
  628    HD2  LYS  81           1HD      LYS  81   0.696 -12.922  -2.165
  629    HD3  LYS  81           2HD      LYS  81  -0.701 -13.446  -1.226
  630    HE2  LYS  81           1HE      LYS  81  -2.019 -11.609  -2.173
  631    HE3  LYS  81           2HE      LYS  81  -0.620 -11.097  -3.117
  632    HZ1  LYS  81           3HZ      LYS  81  -1.007 -13.800  -3.640
  633    HZ2  LYS  81           1HZ      LYS  81  -1.261 -12.494  -4.692
  634    HZ3  LYS  81           2HZ      LYS  81  -2.535 -13.071  -3.740
  635    H    ASP  82           H        ASP  82   3.826  -9.601  -0.011
  636    HA   ASP  82           HA       ASP  82   3.954  -7.081  -1.266
  637    HB2  ASP  82           1HB      ASP  82   5.580  -6.476   0.427
  638    HB3  ASP  82           2HB      ASP  82   4.260  -7.374   1.159
  639    H    LYS  83           H        LYS  83   5.961  -9.914  -1.508
  640    HA   LYS  83           HA       LYS  83   8.313  -8.812  -2.477
  641    HB2  LYS  83           1HB      LYS  83   8.850 -10.963  -3.378
  642    HB3  LYS  83           2HB      LYS  83   7.937 -11.235  -1.899
  643    HG2  LYS  83           1HG      LYS  83   5.968 -11.772  -3.133
  644    HG3  LYS  83           2HG      LYS  83   6.727 -11.289  -4.650
  645    HD2  LYS  83           1HD      LYS  83   8.357 -13.117  -4.389
  646    HD3  LYS  83           2HD      LYS  83   7.536 -13.614  -2.906
  647    HE2  LYS  83           1HE      LYS  83   6.845 -14.962  -4.838
  648    HE3  LYS  83           2HE      LYS  83   5.498 -14.053  -4.152
  649    HZ1  LYS  83           3HZ      LYS  83   5.446 -12.612  -5.945
  650    HZ2  LYS  83           1HZ      LYS  83   5.834 -14.086  -6.697
  651    HZ3  LYS  83           2HZ      LYS  83   7.044 -12.938  -6.401
  652    H    ASP  84           H        ASP  84   5.263  -9.335  -4.076
  653    HA   ASP  84           HA       ASP  84   6.095  -9.062  -6.749
  654    HB2  ASP  84           1HB      ASP  84   3.453  -8.420  -5.422
  655    HB3  ASP  84           2HB      ASP  84   3.708  -8.384  -7.164
  656    H    GLY  85           H        GLY  85   4.787  -6.660  -4.465
  657    HA2  GLY  85           2HA      GLY  85   6.493  -4.792  -4.402
  658    HA3  GLY  85           1HA      GLY  85   6.094  -4.587  -6.095
  659    H    CYS  86           H        CYS  86   5.082  -2.871  -6.360
  660    HA   CYS  86           HA       CYS  86   3.969  -1.208  -4.497
  661    HB2  CYS  86           1HB      CYS  86   4.865  -0.689  -6.746
  662    HB3  CYS  86           2HB      CYS  86   3.412  -1.365  -7.457
  663    HA   PRO  87           HA       PRO  87  -0.131  -3.087  -4.208
  664    HB2  PRO  87           1HB      PRO  87  -0.645  -2.333  -1.690
  665    HB3  PRO  87           2HB      PRO  87   0.445  -3.670  -2.070
  666    HG2  PRO  87           1HG      PRO  87   1.064  -0.934  -1.140
  667    HG3  PRO  87           2HG      PRO  87   1.969  -2.437  -0.905
  668    HD2  PRO  87           1HD      PRO  87   2.477  -0.394  -2.814
  669    HD3  PRO  87           2HD      PRO  87   3.289  -1.965  -2.677
  670    H    ARG  88           H        ARG  88   0.225  -0.561  -5.560
  671    HA   ARG  88           HA       ARG  88  -1.912   1.113  -4.471
  672    HB2  ARG  88           1HB      ARG  88  -0.076   1.395  -6.829
  673    HB3  ARG  88           2HB      ARG  88  -1.568   2.319  -6.752
  674    HG2  ARG  88           1HG      ARG  88  -0.629   2.966  -4.372
  675    HG3  ARG  88           2HG      ARG  88   0.910   2.569  -5.142
  676    HD2  ARG  88           1HD      ARG  88   0.541   4.897  -5.482
  677    HD3  ARG  88           2HD      ARG  88   0.248   4.096  -7.026
  678    HE   ARG  88           HE       ARG  88  -1.993   4.636  -6.871
  679   HH11  ARG  88          2HH1      ARG  88  -0.270   5.663  -4.028
  680   HH12  ARG  88          1HH1      ARG  88  -1.647   6.423  -3.291
  681   HH21  ARG  88          2HH2      ARG  88  -3.837   5.636  -5.924
  682   HH22  ARG  88          1HH2      ARG  88  -3.694   6.347  -4.346
  683    H    ILE  89           H        ILE  89  -3.977   0.851  -5.051
  684    HA   ILE  89           HA       ILE  89  -4.656  -1.208  -6.966
  685    HB   ILE  89           HB       ILE  89  -6.526   0.645  -5.484
  686   HG12  ILE  89          1HG1      ILE  89  -5.173  -0.504  -3.845
  687   HG13  ILE  89          2HG1      ILE  89  -6.772  -1.242  -3.869
  688   HG21  ILE  89          1HG2      ILE  89  -7.580  -1.953  -5.955
  689   HG22  ILE  89          2HG2      ILE  89  -8.154  -0.400  -6.560
  690   HG23  ILE  89          3HG2      ILE  89  -6.953  -1.313  -7.475
  691   HD11  ILE  89          3HD1      ILE  89  -5.078  -2.939  -3.691
  692   HD12  ILE  89          1HD1      ILE  89  -5.877  -3.063  -5.258
  693   HD13  ILE  89          2HD1      ILE  89  -4.274  -2.337  -5.140
  694    H    LEU  90           H        LEU  90  -5.049  -0.871  -9.043
  695    HA   LEU  90           HA       LEU  90  -4.745   1.803 -10.037
  696    HB2  LEU  90           1HB      LEU  90  -5.170  -0.695 -11.663
  697    HB3  LEU  90           2HB      LEU  90  -4.438   0.809 -12.188
  698    HG   LEU  90           HG       LEU  90  -3.279  -1.254 -10.332
  699   HD11  LEU  90          1HD1      LEU  90  -3.156  -1.002 -13.058
  700   HD12  LEU  90          2HD1      LEU  90  -1.672  -0.216 -12.520
  701   HD13  LEU  90          3HD1      LEU  90  -2.010  -1.880 -12.046
  702   HD21  LEU  90          3HD2      LEU  90  -2.733   1.619 -10.523
  703   HD22  LEU  90          1HD2      LEU  90  -2.390   0.470  -9.229
  704   HD23  LEU  90          2HD2      LEU  90  -1.312   0.577 -10.622
  705    H    ASN  91           H        ASN  91  -7.290  -0.603 -10.031
  706    HA   ASN  91           HA       ASN  91  -8.848   0.502 -12.040
  707    HB2  ASN  91           1HB      ASN  91 -10.631  -0.958 -11.301
  708    HB3  ASN  91           2HB      ASN  91  -9.100  -1.805 -11.176
  709   HD21  ASN  91          1HD2      ASN  91  -8.491  -2.609  -9.274
  710   HD22  ASN  91          2HD2      ASN  91  -9.369  -2.439  -7.798
  711    H    LEU  92           H        LEU  92 -10.082   2.180 -12.216
  712    HA   LEU  92           HA       LEU  92 -11.207   4.084 -11.765
  713    HB2  LEU  92           1HB      LEU  92 -12.238   2.142  -9.775
  714    HB3  LEU  92           2HB      LEU  92 -12.681   3.824  -9.560
  715    HG   LEU  92           HG       LEU  92 -14.407   2.622 -10.791
  716   HD11  LEU  92          1HD1      LEU  92 -13.753   5.046 -11.287
  717   HD12  LEU  92          2HD1      LEU  92 -13.036   4.413 -12.769
  718   HD13  LEU  92          3HD1      LEU  92 -14.763   4.209 -12.467
  719   HD21  LEU  92          3HD2      LEU  92 -12.445   1.161 -11.908
  720   HD22  LEU  92          1HD2      LEU  92 -14.067   1.300 -12.591
  721   HD23  LEU  92          2HD2      LEU  92 -12.758   2.303 -13.215
  722    H    GLY  93           H        GLY  93  -8.623   4.322 -10.987
  723    HA2  GLY  93           2HA      GLY  93  -8.514   5.559  -8.351
  724    HA3  GLY  93           1HA      GLY  93  -7.213   5.500  -9.536
  725    H    SER  94           H        SER  94 -10.532   6.697  -9.547
  726    HA   SER  94           HA       SER  94 -11.477   8.696 -10.080
  727    HB2  SER  94           1HB      SER  94  -8.670   9.814 -10.263
  728    HB3  SER  94           2HB      SER  94 -10.168  10.746 -10.324
  729    HG   SER  94           HG       SER  94  -9.091   9.282  -8.143
  730    H    ASN  95           H        ASN  95  -8.605   7.776 -11.897
  731    HA   ASN  95           HA       ASN  95  -9.475   8.764 -14.418
  732    HB2  ASN  95           1HB      ASN  95  -7.103   8.200 -13.838
  733    HB3  ASN  95           2HB      ASN  95  -7.549   6.497 -13.837
  734   HD21  ASN  95          1HD2      ASN  95  -5.914   8.563 -15.555
  735   HD22  ASN  95          2HD2      ASN  95  -6.263   8.025 -17.168
  736    H    ARG  96           H        ARG  96 -10.851   7.916 -15.807
  737    HA   ARG  96           HA       ARG  96 -11.439   5.076 -15.725
  738    HB2  ARG  96           1HB      ARG  96 -13.951   5.832 -16.138
  739    HB3  ARG  96           2HB      ARG  96 -13.323   5.545 -14.523
  740    HG2  ARG  96           1HG      ARG  96 -14.584   7.558 -14.482
  741    HG3  ARG  96           2HG      ARG  96 -12.879   7.986 -14.330
  742    HD2  ARG  96           1HD      ARG  96 -14.002   9.497 -15.859
  743    HD3  ARG  96           2HD      ARG  96 -12.805   8.517 -16.707
  744    HE   ARG  96           HE       ARG  96 -15.007   7.088 -17.134
  745   HH11  ARG  96          2HH1      ARG  96 -14.492  10.547 -17.362
  746   HH12  ARG  96          1HH1      ARG  96 -15.620  10.752 -18.675
  747   HH21  ARG  96          2HH2      ARG  96 -16.463   7.347 -18.861
  748   HH22  ARG  96          1HH2      ARG  96 -16.762   8.931 -19.513
  749    H    LEU  97           H        LEU  97  -9.876   6.642 -17.367
  750    HA   LEU  97           HA       LEU  97 -11.121   6.102 -19.947
  751    HB2  LEU  97           1HB      LEU  97  -9.829   8.734 -19.197
  752    HB3  LEU  97           2HB      LEU  97 -10.137   8.240 -20.850
  753    HG   LEU  97           HG       LEU  97 -12.298   8.605 -18.772
  754   HD11  LEU  97          1HD1      LEU  97 -12.804  10.703 -19.855
  755   HD12  LEU  97          2HD1      LEU  97 -11.133  10.718 -19.290
  756   HD13  LEU  97          3HD1      LEU  97 -11.482  10.466 -20.999
  757   HD21  LEU  97          3HD2      LEU  97 -12.755   8.662 -21.711
  758   HD22  LEU  97          1HD2      LEU  97 -12.512   7.097 -20.934
  759   HD23  LEU  97          2HD2      LEU  97 -13.827   8.147 -20.410
  760    H    ASP  98           H        ASP  98  -9.625   4.298 -19.286
  761    HA   ASP  98           HA       ASP  98  -6.951   4.404 -18.858
  762    HB2  ASP  98           1HB      ASP  98  -8.458   2.401 -20.545
  763    HB3  ASP  98           2HB      ASP  98  -6.787   2.181 -20.043
  764    H    ARG  99           H        ARG  99  -8.523   4.431 -22.021
  765    HA   ARG  99           HA       ARG  99  -5.988   5.390 -23.167
  766    HB2  ARG  99           1HB      ARG  99  -8.252   3.911 -24.517
  767    HB3  ARG  99           2HB      ARG  99  -6.906   4.650 -25.375
  768    HG2  ARG  99           1HG      ARG  99  -6.599   2.529 -23.275
  769    HG3  ARG  99           2HG      ARG  99  -6.682   2.205 -25.007
  770    HD2  ARG  99           1HD      ARG  99  -4.687   3.515 -25.386
  771    HD3  ARG  99           2HD      ARG  99  -4.638   3.987 -23.690
  772    HE   ARG  99           HE       ARG  99  -3.657   1.567 -24.826
  773   HH11  ARG  99          2HH1      ARG  99  -4.966   2.986 -21.905
  774   HH12  ARG  99          1HH1      ARG  99  -4.340   1.738 -20.867
  775   HH21  ARG  99          2HH2      ARG  99  -2.813  -0.055 -23.474
  776   HH22  ARG  99          1HH2      ARG  99  -3.123   0.005 -21.765
  777    H    HIS 100           H        HIS 100  -5.987   7.419 -23.847
  778    HA   HIS 100           HA       HIS 100  -8.393   8.947 -23.537
  779    HB2  HIS 100           1HB      HIS 100  -5.558   9.649 -24.246
  780    HB3  HIS 100           2HB      HIS 100  -6.848  10.837 -24.404
  781    HD1  HIS 100           HD1      HIS 100  -4.994  11.832 -22.504
  782    HD2  HIS 100           HD2      HIS 100  -7.751   8.937 -21.359
  783    HE1  HIS 100           HE1      HIS 100  -5.176  12.017 -19.997
  784    HE2  HIS 100           HE2      HIS 100  -6.995  10.385 -19.356
  785    H    PHE 101           H        PHE 101  -9.832   9.411 -25.038
  786    HA   PHE 101           HA       PHE 101  -9.496   8.444 -27.692
  787    HB2  PHE 101           1HB      PHE 101 -11.717   9.583 -28.106
  788    HB3  PHE 101           2HB      PHE 101 -11.709   8.373 -26.834
  789    HD1  PHE 101           HD2      PHE 101 -11.894  11.979 -27.552
  790    HD2  PHE 101           HD1      PHE 101 -12.164   8.958 -24.569
  791    HE1  PHE 101           HE2      PHE 101 -12.912  13.599 -26.005
  792    HE2  PHE 101           HE1      PHE 101 -13.194  10.568 -23.022
  793    HZ   PHE 101           HZ       PHE 101 -13.567  12.895 -23.738
  794    H    GLU 102           H        GLU 102  -9.640  11.670 -26.262
  795    HA   GLU 102           HA       GLU 102  -8.856  13.691 -26.874
  796    HB2  GLU 102           1HB      GLU 102  -6.726  12.489 -27.170
  797    HB3  GLU 102           2HB      GLU 102  -7.160  12.144 -28.838
  798    HG2  GLU 102           1HG      GLU 102  -7.071  14.460 -29.412
  799    HG3  GLU 102           2HG      GLU 102  -6.849  14.917 -27.721
  800    H    LYS 103           H        LYS 103  -9.130  11.798 -29.868
  801    HA   LYS 103           HA       LYS 103 -10.526  13.978 -31.207
  802    HB2  LYS 103           1HB      LYS 103 -10.582  12.404 -33.133
  803    HB3  LYS 103           2HB      LYS 103  -8.953  12.717 -32.551
  804    HG2  LYS 103           1HG      LYS 103  -9.057  10.582 -31.288
  805    HG3  LYS 103           2HG      LYS 103 -10.617  10.264 -32.046
  806    HD2  LYS 103           1HD      LYS 103  -9.557  10.356 -34.253
  807    HD3  LYS 103           2HD      LYS 103  -7.996  10.653 -33.483
  808    HE2  LYS 103           1HE      LYS 103  -9.714   8.198 -33.140
  809    HE3  LYS 103           2HE      LYS 103  -8.244   8.305 -34.106
  810    HZ1  LYS 103           3HZ      LYS 103  -7.221   7.612 -32.267
  811    HZ2  LYS 103           1HZ      LYS 103  -8.551   7.956 -31.270
  812    HZ3  LYS 103           2HZ      LYS 103  -7.446   9.183 -31.663
  813    H    LYS 104           H        LYS 104 -12.698  14.018 -31.570
  814    HA   LYS 104           HA       LYS 104 -14.906  13.589 -31.281
  815    HB2  LYS 104           1HB      LYS 104 -13.997  10.704 -31.263
  816    HB3  LYS 104           2HB      LYS 104 -15.665  11.238 -31.430
  817    HG2  LYS 104           1HG      LYS 104 -15.164  12.298 -33.534
  818    HG3  LYS 104           2HG      LYS 104 -13.450  11.932 -33.347
  819    HD2  LYS 104           1HD      LYS 104 -14.355  10.338 -34.865
  820    HD3  LYS 104           2HD      LYS 104 -14.059   9.503 -33.340
  821    HE2  LYS 104           1HE      LYS 104 -16.749  10.668 -33.953
  822    HE3  LYS 104           2HE      LYS 104 -16.284   9.098 -34.602
  823    HZ1  LYS 104           3HZ      LYS 104 -17.093   8.331 -32.687
  824    HZ2  LYS 104           1HZ      LYS 104 -17.022   9.836 -31.912
  825    HZ3  LYS 104           2HZ      LYS 104 -15.640   8.856 -31.997
  826    H    LYS 105           H        LYS 105 -15.834  11.140 -29.710
  827    HA   LYS 105           HA       LYS 105 -14.875  11.759 -27.029
  828    HB2  LYS 105           1HB      LYS 105 -17.788  12.003 -27.815
  829    HB3  LYS 105           2HB      LYS 105 -17.199  11.981 -26.162
  830    HG2  LYS 105           1HG      LYS 105 -15.870  14.030 -26.700
  831    HG3  LYS 105           2HG      LYS 105 -16.707  14.083 -28.252
  832    HD2  LYS 105           1HD      LYS 105 -18.018  14.169 -25.535
  833    HD3  LYS 105           2HD      LYS 105 -17.762  15.553 -26.599
  834    HE2  LYS 105           1HE      LYS 105 -19.383  13.123 -27.340
  835    HE3  LYS 105           2HE      LYS 105 -20.069  14.602 -26.671
  836    HZ1  LYS 105           3HZ      LYS 105 -20.231  14.544 -29.082
  837    HZ2  LYS 105           1HZ      LYS 105 -18.545  14.409 -29.217
  838    HZ3  LYS 105           2HZ      LYS 105 -19.235  15.818 -28.575
  839    H    LYS 106           H        LYS 106 -14.890  10.014 -25.717
  840    HA   LYS 106           HA       LYS 106 -15.995   7.514 -26.783
  841    HB2  LYS 106           1HB      LYS 106 -13.575   7.707 -25.991
  842    HB3  LYS 106           2HB      LYS 106 -14.219   7.847 -24.363
  843    HG2  LYS 106           1HG      LYS 106 -15.295   5.636 -24.643
  844    HG3  LYS 106           2HG      LYS 106 -14.514   5.495 -26.220
  845    HD2  LYS 106           1HD      LYS 106 -12.315   5.718 -25.111
  846    HD3  LYS 106           2HD      LYS 106 -13.135   5.767 -23.549
  847    HE2  LYS 106           1HE      LYS 106 -12.337   3.539 -23.912
  848    HE3  LYS 106           2HE      LYS 106 -14.094   3.530 -24.047
  849    HZ1  LYS 106           3HZ      LYS 106 -12.950   2.229 -25.790
  850    HZ2  LYS 106           1HZ      LYS 106 -12.249   3.658 -26.367
  851    HZ3  LYS 106           2HZ      LYS 106 -13.931   3.463 -26.419
  852    H    VAL 107           H        VAL 107 -17.803   9.430 -25.851
  853    HA   VAL 107           HA       VAL 107 -18.548   8.815 -23.135
  854    HB   VAL 107           HB       VAL 107 -20.015  10.439 -25.225
  855   HG11  VAL 107          1HG1      VAL 107 -21.698  10.701 -23.791
  856   HG12  VAL 107          2HG1      VAL 107 -20.990   9.398 -22.835
  857   HG13  VAL 107          3HG1      VAL 107 -20.597  11.078 -22.465
  858   HG21  VAL 107          3HG2      VAL 107 -19.146  12.210 -23.363
  859   HG22  VAL 107          1HG2      VAL 107 -17.815  11.053 -23.376
  860   HG23  VAL 107          2HG2      VAL 107 -18.302  11.855 -24.870
  Start of MODEL    3
    1    H1   GLY  -1           1H       GLY  -1  -4.701 -17.790 -16.994
    2    H2   GLY  -1           2H       GLY  -1  -4.834 -18.669 -18.436
    3    H3   GLY  -1           3H       GLY  -1  -4.042 -17.168 -18.428
    4    HA2  GLY  -1           1HA      GLY  -1  -3.127 -19.763 -17.391
    5    HA3  GLY  -1           2HA      GLY  -1  -2.290 -18.636 -18.451
    6    H    GLY   0           H        GLY   0  -2.032 -19.918 -15.561
    7    HA2  GLY   0           2HA      GLY   0  -0.859 -19.344 -13.676
    8    HA3  GLY   0           1HA      GLY   0  -0.328 -17.904 -14.534
    9    H    SER   1           H        SER   1  -0.572 -16.432 -12.947
   10    HA   SER   1           HA       SER   1  -1.583 -14.855 -11.689
   11    HB2  SER   1           1HB      SER   1  -4.150 -15.854 -12.943
   12    HB3  SER   1           2HB      SER   1  -3.974 -14.361 -12.018
   13    HG   SER   1           HG       SER   1  -2.102 -14.390 -13.911
   14    H    SER   2           H        SER   2  -3.790 -17.668 -11.640
   15    HA   SER   2           HA       SER   2  -4.831 -18.750  -9.933
   16    HB2  SER   2           1HB      SER   2  -2.387 -19.415  -9.643
   17    HB3  SER   2           2HB      SER   2  -2.306 -18.216  -8.354
   18    HG   SER   2           HG       SER   2  -4.218 -20.319  -8.413
   19    H    ARG   3           H        ARG   3  -5.761 -16.280 -10.102
   20    HA   ARG   3           HA       ARG   3  -5.317 -14.705  -7.782
   21    HB2  ARG   3           1HB      ARG   3  -7.513 -14.503  -9.847
   22    HB3  ARG   3           2HB      ARG   3  -7.139 -13.281  -8.639
   23    HG2  ARG   3           1HG      ARG   3  -5.451 -14.152 -10.969
   24    HG3  ARG   3           2HG      ARG   3  -6.162 -12.566 -10.670
   25    HD2  ARG   3           1HD      ARG   3  -4.717 -12.320  -8.688
   26    HD3  ARG   3           2HD      ARG   3  -3.978 -13.877  -9.057
   27    HE   ARG   3           HE       ARG   3  -3.806 -12.071 -11.262
   28   HH11  ARG   3          2HH1      ARG   3  -2.349 -12.955  -8.200
   29   HH12  ARG   3          1HH1      ARG   3  -0.823 -12.200  -8.559
   30   HH21  ARG   3          2HH2      ARG   3  -1.796 -11.119 -11.761
   31   HH22  ARG   3          1HH2      ARG   3  -0.498 -11.167 -10.595
   32    H    HIS   4           H        HIS   4  -6.206 -14.736  -5.895
   33    HA   HIS   4           HA       HIS   4  -8.798 -16.075  -5.511
   34    HB2  HIS   4           1HB      HIS   4  -6.892 -17.494  -4.671
   35    HB3  HIS   4           2HB      HIS   4  -6.470 -16.189  -3.571
   36    HD1  HIS   4           HD1      HIS   4  -8.506 -15.551  -1.825
   37    HD2  HIS   4           HD2      HIS   4  -8.586 -19.301  -3.613
   38    HE1  HIS   4           HE1      HIS   4 -10.052 -16.941  -0.410
   39    HE2  HIS   4           HE2      HIS   4 -10.008 -19.237  -1.448
   40    H    GLN   5           H        GLN   5  -9.028 -13.669  -6.054
   41    HA   GLN   5           HA       GLN   5  -9.131 -12.077  -3.592
   42    HB2  GLN   5           1HB      GLN   5  -8.159 -10.170  -4.928
   43    HB3  GLN   5           2HB      GLN   5  -7.036 -11.470  -4.545
   44    HG2  GLN   5           1HG      GLN   5  -7.334 -12.388  -6.788
   45    HG3  GLN   5           2HG      GLN   5  -8.446 -11.074  -7.177
   46   HE21  GLN   5          1HE2      GLN   5  -5.138 -11.860  -6.333
   47   HE22  GLN   5          2HE2      GLN   5  -4.431 -10.425  -7.012
   48    H    PHE   6           H        PHE   6 -10.330 -10.098  -3.857
   49    HA   PHE   6           HA       PHE   6 -12.772 -10.429  -5.365
   50    HB2  PHE   6           1HB      PHE   6 -12.727  -9.478  -3.116
   51    HB3  PHE   6           2HB      PHE   6 -11.713  -8.160  -3.665
   52    HD1  PHE   6           HD2      PHE   6 -15.009  -9.711  -4.497
   53    HD2  PHE   6           HD1      PHE   6 -12.690  -6.166  -4.078
   54    HE1  PHE   6           HE2      PHE   6 -17.012  -8.359  -4.964
   55    HE2  PHE   6           HE1      PHE   6 -14.698  -4.800  -4.527
   56    HZ   PHE   6           HZ       PHE   6 -16.860  -5.900  -4.976
   57    H    ASP   7           H        ASP   7 -10.406 -10.310  -6.892
   58    HA   ASP   7           HA       ASP   7  -9.482  -9.398  -8.745
   59    HB2  ASP   7           1HB      ASP   7 -12.189  -8.088  -8.836
   60    HB3  ASP   7           2HB      ASP   7 -10.963  -7.745 -10.052
   61    H    LEU   8           H        LEU   8  -8.380  -8.430  -6.606
   62    HA   LEU   8           HA       LEU   8  -8.408  -5.536  -6.569
   63    HB2  LEU   8           1HB      LEU   8  -6.517  -7.391  -5.172
   64    HB3  LEU   8           2HB      LEU   8  -6.811  -5.702  -4.817
   65    HG   LEU   8           HG       LEU   8  -8.319  -8.098  -4.018
   66   HD11  LEU   8          1HD1      LEU   8  -7.480  -5.481  -2.952
   67   HD12  LEU   8          2HD1      LEU   8  -8.834  -6.315  -2.186
   68   HD13  LEU   8          3HD1      LEU   8  -7.254  -7.097  -2.279
   69   HD21  LEU   8          3HD2      LEU   8  -9.665  -5.604  -4.965
   70   HD22  LEU   8          1HD2      LEU   8 -10.153  -7.289  -5.163
   71   HD23  LEU   8          2HD2      LEU   8 -10.324  -6.500  -3.595
   72    H    ILE   9           H        ILE   9  -7.797  -5.460  -8.894
   73    HA   ILE   9           HA       ILE   9  -5.350  -6.541  -9.776
   74    HB   ILE   9           HB       ILE   9  -7.221  -4.522 -11.000
   75   HG12  ILE   9          1HG1      ILE   9  -7.540  -6.300 -12.667
   76   HG13  ILE   9          2HG1      ILE   9  -6.345  -7.297 -11.852
   77   HG21  ILE   9          1HG2      ILE   9  -5.865  -4.512 -13.026
   78   HG22  ILE   9          2HG2      ILE   9  -4.936  -3.883 -11.665
   79   HG23  ILE   9          3HG2      ILE   9  -4.655  -5.527 -12.239
   80   HD11  ILE   9          3HD1      ILE   9  -8.968  -6.414 -10.671
   81   HD12  ILE   9          1HD1      ILE   9  -8.634  -8.000 -11.370
   82   HD13  ILE   9          2HD1      ILE   9  -7.781  -7.480  -9.913
   83    H    MET  10           H        MET  10  -4.032  -5.862  -8.063
   84    HA   MET  10           HA       MET  10  -3.433  -3.093  -7.744
   85    HB2  MET  10           1HB      MET  10  -1.472  -4.106  -6.327
   86    HB3  MET  10           2HB      MET  10  -3.128  -4.153  -5.752
   87    HG2  MET  10           1HG      MET  10  -3.344  -6.455  -6.398
   88    HG3  MET  10           2HG      MET  10  -1.753  -6.424  -7.160
   89    HE1  MET  10           3HE      MET  10  -1.842  -5.379  -2.705
   90    HE2  MET  10           1HE      MET  10  -2.224  -4.332  -4.070
   91    HE3  MET  10           2HE      MET  10  -3.386  -5.552  -3.543
   92    H    CYS  11           H        CYS  11  -1.475  -2.077  -7.983
   93    HA   CYS  11           HA       CYS  11  -0.512  -2.060 -10.535
   94    HB2  CYS  11           1HB      CYS  11  -0.420  -0.214  -8.926
   95    HB3  CYS  11           2HB      CYS  11   0.831  -1.054  -8.023
   96    H    LEU  12           H        LEU  12   1.201  -3.326  -7.684
   97    HA   LEU  12           HA       LEU  12   3.062  -4.561  -7.429
   98    HB2  LEU  12           1HB      LEU  12   1.155  -5.943  -9.093
   99    HB3  LEU  12           2HB      LEU  12   2.789  -6.544  -9.330
  100    HG   LEU  12           HG       LEU  12   3.019  -7.075  -7.017
  101   HD11  LEU  12          1HD1      LEU  12   1.730  -6.335  -5.305
  102   HD12  LEU  12          2HD1      LEU  12   1.521  -4.983  -6.418
  103   HD13  LEU  12          3HD1      LEU  12   0.276  -6.228  -6.297
  104   HD21  LEU  12          3HD2      LEU  12   1.867  -8.754  -8.267
  105   HD22  LEU  12          1HD2      LEU  12   1.115  -8.626  -6.678
  106   HD23  LEU  12          2HD2      LEU  12   0.336  -7.897  -8.083
  107    H    LYS  13           H        LYS  13   3.652  -2.374  -9.067
  108    HA   LYS  13           HA       LYS  13   5.592  -3.332 -11.010
  109    HB2  LYS  13           1HB      LYS  13   4.704  -0.662 -10.038
  110    HB3  LYS  13           2HB      LYS  13   6.342  -0.805 -10.657
  111    HG2  LYS  13           1HG      LYS  13   5.359  -1.791 -12.738
  112    HG3  LYS  13           2HG      LYS  13   3.770  -1.338 -12.108
  113    HD2  LYS  13           1HD      LYS  13   4.318   0.968 -12.135
  114    HD3  LYS  13           2HD      LYS  13   6.030   0.634 -12.416
  115    HE2  LYS  13           1HE      LYS  13   5.347  -0.424 -14.577
  116    HE3  LYS  13           2HE      LYS  13   3.732   0.207 -14.293
  117    HZ1  LYS  13           3HZ      LYS  13   6.137   1.928 -14.388
  118    HZ2  LYS  13           1HZ      LYS  13   4.510   2.413 -14.426
  119    HZ3  LYS  13           2HZ      LYS  13   5.186   1.599 -15.749
  120    H    GLN  14           H        GLN  14   7.861  -2.230 -10.606
  121    HA   GLN  14           HA       GLN  14   8.923  -3.476  -8.254
  122    HB2  GLN  14           1HB      GLN  14  10.125  -3.229 -10.459
  123    HB3  GLN  14           2HB      GLN  14  10.308  -1.520 -10.092
  124    HG2  GLN  14           1HG      GLN  14  12.320  -2.760  -9.561
  125    HG3  GLN  14           2HG      GLN  14  11.596  -2.067  -8.111
  126   HE21  GLN  14          1HE2      GLN  14  12.055  -3.416  -6.505
  127   HE22  GLN  14          2HE2      GLN  14  11.784  -5.128  -6.524
  128    HA   PRO  15           HA       PRO  15   7.770  -0.081  -5.623
  129    HB2  PRO  15           1HB      PRO  15   9.516  -1.489  -3.704
  130    HB3  PRO  15           2HB      PRO  15   7.824  -1.011  -3.542
  131    HG2  PRO  15           1HG      PRO  15   8.497  -3.560  -3.920
  132    HG3  PRO  15           2HG      PRO  15   7.056  -2.870  -4.691
  133    HD2  PRO  15           1HD      PRO  15   9.740  -3.462  -5.869
  134    HD3  PRO  15           2HD      PRO  15   8.127  -3.674  -6.580
  135    H    GLY  16           H        GLY  16   8.631   1.787  -4.896
  136    HA2  GLY  16           2HA      GLY  16  11.501   2.212  -5.377
  137    HA3  GLY  16           1HA      GLY  16  10.287   3.476  -5.220
  138    H    VAL  17           H        VAL  17  11.033   4.638  -3.531
  139    HA   VAL  17           HA       VAL  17  11.713   3.184  -1.070
  140    HB   VAL  17           HB       VAL  17  12.803   5.256  -0.307
  141   HG11  VAL  17          1HG1      VAL  17  13.820   4.504  -3.036
  142   HG12  VAL  17          2HG1      VAL  17  14.746   5.044  -1.637
  143   HG13  VAL  17          3HG1      VAL  17  13.976   3.456  -1.627
  144   HG21  VAL  17          3HG2      VAL  17  13.241   7.023  -2.049
  145   HG22  VAL  17          1HG2      VAL  17  11.958   6.286  -3.008
  146   HG23  VAL  17          2HG2      VAL  17  11.593   6.965  -1.422
  147    H    GLN  18           H        GLN  18   9.389   5.340  -2.434
  148    HA   GLN  18           HA       GLN  18   8.471   6.466   0.018
  149    HB2  GLN  18           1HB      GLN  18   7.412   6.398  -2.782
  150    HB3  GLN  18           2HB      GLN  18   6.408   7.004  -1.475
  151    HG2  GLN  18           1HG      GLN  18   8.242   8.608  -0.922
  152    HG3  GLN  18           2HG      GLN  18   9.070   8.067  -2.382
  153   HE21  GLN  18          1HE2      GLN  18   8.819   9.393  -4.011
  154   HE22  GLN  18          2HE2      GLN  18   7.401  10.325  -4.365
  155    H    THR  19           H        THR  19   6.842   5.909   1.332
  156    HA   THR  19           HA       THR  19   5.811   3.190   1.093
  157    HB   THR  19           HB       THR  19   5.564   5.153   3.390
  158    HG1  THR  19           HG1      THR  19   7.735   4.502   3.036
  159   HG21  THR  19          1HG2      THR  19   5.244   2.822   4.578
  160   HG22  THR  19          2HG2      THR  19   4.682   2.329   2.981
  161   HG23  THR  19          3HG2      THR  19   3.877   3.649   3.832
  162    H    GLY  20           H        GLY  20   3.693   2.693   0.811
  163    HA2  GLY  20           2HA      GLY  20   2.015   4.595  -0.449
  164    HA3  GLY  20           1HA      GLY  20   1.551   2.969   0.033
  165    H    LEU  21           H        LEU  21   0.476   5.889   0.282
  166    HA   LEU  21           HA       LEU  21   0.020   5.982   3.155
  167    HB2  LEU  21           1HB      LEU  21  -0.581   7.935   0.939
  168    HB3  LEU  21           2HB      LEU  21  -1.064   8.181   2.607
  169    HG   LEU  21           HG       LEU  21   1.786   7.912   1.645
  170   HD11  LEU  21          1HD1      LEU  21   0.525  10.005   0.999
  171   HD12  LEU  21          2HD1      LEU  21   0.413  10.357   2.724
  172   HD13  LEU  21          3HD1      LEU  21   1.992  10.241   1.949
  173   HD21  LEU  21          3HD2      LEU  21   2.353   8.614   3.926
  174   HD22  LEU  21          1HD2      LEU  21   0.644   8.557   4.362
  175   HD23  LEU  21          2HD2      LEU  21   1.488   7.077   3.909
  176    H    LEU  22           H        LEU  22  -1.944   5.865   4.115
  177    HA   LEU  22           HA       LEU  22  -4.222   5.034   2.441
  178    HB2  LEU  22           1HB      LEU  22  -3.620   4.409   5.332
  179    HB3  LEU  22           2HB      LEU  22  -5.119   4.000   4.524
  180    HG   LEU  22           HG       LEU  22  -2.384   2.905   3.929
  181   HD11  LEU  22          1HD1      LEU  22  -3.477   1.990   5.920
  182   HD12  LEU  22          2HD1      LEU  22  -4.904   1.601   4.960
  183   HD13  LEU  22          3HD1      LEU  22  -3.372   0.790   4.633
  184   HD21  LEU  22          3HD2      LEU  22  -3.129   2.601   1.849
  185   HD22  LEU  22          1HD2      LEU  22  -4.247   1.421   2.532
  186   HD23  LEU  22          2HD2      LEU  22  -4.768   3.088   2.284
  187    H    CYS  23           H        CYS  23  -6.137   6.053   2.706
  188    HA   CYS  23           HA       CYS  23  -6.205   8.507   4.257
  189    HB2  CYS  23           1HB      CYS  23  -8.213   9.012   3.177
  190    HB3  CYS  23           2HB      CYS  23  -7.349   8.113   1.937
  191    H    GLU  24           H        GLU  24  -7.784   8.782   5.975
  192    HA   GLU  24           HA       GLU  24  -7.681   6.774   7.868
  193    HB2  GLU  24           1HB      GLU  24  -9.757   8.962   7.686
  194    HB3  GLU  24           2HB      GLU  24  -9.328   8.058   9.134
  195    HG2  GLU  24           1HG      GLU  24  -7.026   8.947   8.951
  196    HG3  GLU  24           2HG      GLU  24  -7.557   9.939   7.593
  197    H    LYS  25           H        LYS  25  -9.962   7.166   5.293
  198    HA   LYS  25           HA       LYS  25 -12.036   5.534   6.348
  199    HB2  LYS  25           1HB      LYS  25 -11.414   6.187   3.467
  200    HB3  LYS  25           2HB      LYS  25 -12.934   5.544   4.073
  201    HG2  LYS  25           1HG      LYS  25 -11.763   8.215   4.819
  202    HG3  LYS  25           2HG      LYS  25 -13.029   7.954   3.618
  203    HD2  LYS  25           1HD      LYS  25 -14.461   6.984   5.370
  204    HD3  LYS  25           2HD      LYS  25 -13.198   7.306   6.559
  205    HE2  LYS  25           1HE      LYS  25 -14.945   9.030   6.588
  206    HE3  LYS  25           2HE      LYS  25 -13.374   9.690   6.137
  207    HZ1  LYS  25           3HZ      LYS  25 -15.100   8.810   3.960
  208    HZ2  LYS  25           1HZ      LYS  25 -14.060  10.146   4.052
  209    HZ3  LYS  25           2HZ      LYS  25 -15.584  10.206   4.792
  210    H    CYS  26           H        CYS  26  -9.058   4.812   4.635
  211    HA   CYS  26           HA       CYS  26  -9.857   1.969   4.602
  212    HB2  CYS  26           1HB      CYS  26  -7.675   3.083   2.847
  213    HB3  CYS  26           2HB      CYS  26  -8.527   1.555   2.690
  214    H    ASP  27           H        ASP  27  -8.476   3.875   6.551
  215    HA   ASP  27           HA       ASP  27  -5.754   3.225   6.695
  216    HB2  ASP  27           1HB      ASP  27  -6.814   5.191   7.784
  217    HB3  ASP  27           2HB      ASP  27  -7.563   4.106   8.948
  218    H    GLY  28           H        GLY  28  -4.723   1.520   7.416
  219    HA2  GLY  28           2HA      GLY  28  -4.283  -0.179   9.015
  220    HA3  GLY  28           1HA      GLY  28  -5.994  -0.216   9.409
  221    H    LYS  29           H        LYS  29  -6.531  -0.194   6.419
  222    HA   LYS  29           HA       LYS  29  -6.821  -3.005   6.122
  223    HB2  LYS  29           1HB      LYS  29  -7.121  -0.745   4.138
  224    HB3  LYS  29           2HB      LYS  29  -7.548  -2.412   3.800
  225    HG2  LYS  29           1HG      LYS  29  -9.258  -2.375   5.468
  226    HG3  LYS  29           2HG      LYS  29  -8.781  -0.749   5.961
  227    HD2  LYS  29           1HD      LYS  29  -9.482   0.189   3.902
  228    HD3  LYS  29           2HD      LYS  29  -9.651  -1.404   3.159
  229    HE2  LYS  29           1HE      LYS  29 -11.247  -0.702   5.570
  230    HE3  LYS  29           2HE      LYS  29 -11.760  -0.121   3.987
  231    HZ1  LYS  29           3HZ      LYS  29 -12.358  -2.540   5.073
  232    HZ2  LYS  29           1HZ      LYS  29 -11.093  -2.915   4.002
  233    HZ3  LYS  29           2HZ      LYS  29 -12.487  -2.136   3.431
  234    H    CYS  30           H        CYS  30  -5.349  -4.405   5.495
  235    HA   CYS  30           HA       CYS  30  -2.861  -3.687   4.259
  236    HB2  CYS  30           1HB      CYS  30  -2.825  -5.660   5.565
  237    HB3  CYS  30           2HB      CYS  30  -4.302  -6.269   4.833
  238    HA   PRO  31           HA       PRO  31  -4.913  -2.904   0.358
  239    HB2  PRO  31           1HB      PRO  31  -2.521  -2.830  -1.096
  240    HB3  PRO  31           2HB      PRO  31  -3.324  -1.457  -0.332
  241    HG2  PRO  31           1HG      PRO  31  -1.049  -3.109   0.650
  242    HG3  PRO  31           2HG      PRO  31  -1.349  -1.373   0.851
  243    HD2  PRO  31           1HD      PRO  31  -1.746  -3.090   2.860
  244    HD3  PRO  31           2HD      PRO  31  -2.832  -1.706   2.605
  245    H    ILE  32           H        ILE  32  -2.586  -5.462   0.833
  246    HA   ILE  32           HA       ILE  32  -2.852  -6.707  -1.672
  247    HB   ILE  32           HB       ILE  32  -2.132  -8.051   0.933
  248   HG12  ILE  32          1HG1      ILE  32  -0.801  -5.922   0.206
  249   HG13  ILE  32          2HG1      ILE  32   0.081  -7.363   0.696
  250   HG21  ILE  32          1HG2      ILE  32  -2.243  -9.831  -0.445
  251   HG22  ILE  32          2HG2      ILE  32  -2.095  -8.849  -1.902
  252   HG23  ILE  32          3HG2      ILE  32  -0.656  -9.266  -0.970
  253   HD11  ILE  32          3HD1      ILE  32  -0.530  -7.038  -2.185
  254   HD12  ILE  32          1HD1      ILE  32   0.701  -5.994  -1.473
  255   HD13  ILE  32          2HD1      ILE  32   0.879  -7.749  -1.393
  256    H    CYS  33           H        CYS  33  -4.697  -7.081   1.329
  257    HA   CYS  33           HA       CYS  33  -6.417  -9.004  -0.093
  258    HB2  CYS  33           1HB      CYS  33  -6.600 -10.328   1.946
  259    HB3  CYS  33           2HB      CYS  33  -4.917 -10.175   1.458
  260    H    ASP  34           H        ASP  34  -6.267  -6.200   1.823
  261    HA   ASP  34           HA       ASP  34  -7.815  -4.794   2.699
  262    HB2  ASP  34           1HB      ASP  34  -9.162  -5.171   0.664
  263    HB3  ASP  34           2HB      ASP  34  -9.895  -6.582   1.416
  264    H    SER  35           H        SER  35  -7.079  -5.494   4.708
  265    HA   SER  35           HA       SER  35  -9.068  -6.680   6.391
  266    HB2  SER  35           1HB      SER  35  -8.139  -8.727   5.465
  267    HB3  SER  35           2HB      SER  35  -6.502  -8.177   5.803
  268    HG   SER  35           HG       SER  35  -8.493  -8.682   7.774
  269    H    TYR  36           H        TYR  36  -8.831  -5.990   8.448
  270    HA   TYR  36           HA       TYR  36  -6.673  -4.135   9.017
  271    HB2  TYR  36           1HB      TYR  36  -9.139  -4.958  10.552
  272    HB3  TYR  36           2HB      TYR  36  -7.924  -3.883  11.225
  273    HD1  TYR  36           HD1      TYR  36  -9.840  -4.146   8.007
  274    HD2  TYR  36           HD2      TYR  36  -8.484  -1.669  11.187
  275    HE1  TYR  36           HE1      TYR  36 -10.991  -2.223   6.995
  276    HE2  TYR  36           HE2      TYR  36  -9.624   0.263  10.179
  277    HH   TYR  36           HH       TYR  36 -10.618   1.038   8.298
  278    H    VAL  37           H        VAL  37  -6.569  -7.276   8.985
  279    HA   VAL  37           HA       VAL  37  -5.926  -8.076  11.606
  280    HB   VAL  37           HB       VAL  37  -6.550  -9.575   9.661
  281   HG11  VAL  37          1HG1      VAL  37  -4.824  -8.576   8.128
  282   HG12  VAL  37          2HG1      VAL  37  -3.621  -9.519   9.007
  283   HG13  VAL  37          3HG1      VAL  37  -4.924 -10.337   8.142
  284   HG21  VAL  37          3HG2      VAL  37  -4.071 -10.566  11.017
  285   HG22  VAL  37          1HG2      VAL  37  -5.562 -10.283  11.917
  286   HG23  VAL  37          2HG2      VAL  37  -5.539 -11.446  10.591
  287    H    ARG  38           H        ARG  38  -3.828  -8.814  12.360
  288    HA   ARG  38           HA       ARG  38  -2.047  -6.900  12.815
  289    HB2  ARG  38           1HB      ARG  38  -0.382  -8.642  13.353
  290    HB3  ARG  38           2HB      ARG  38  -1.985  -9.027  13.966
  291    HG2  ARG  38           1HG      ARG  38  -2.339 -10.566  12.113
  292    HG3  ARG  38           2HG      ARG  38  -0.754 -10.156  11.460
  293    HD2  ARG  38           1HD      ARG  38  -1.290 -11.441  14.133
  294    HD3  ARG  38           2HD      ARG  38  -0.703 -12.265  12.689
  295    HE   ARG  38           HE       ARG  38   1.006 -10.099  13.380
  296   HH11  ARG  38          2HH1      ARG  38   0.168 -13.389  14.249
  297   HH12  ARG  38          1HH1      ARG  38   1.684 -13.697  15.045
  298   HH21  ARG  38          2HH2      ARG  38   3.025 -10.523  14.387
  299   HH22  ARG  38          1HH2      ARG  38   3.322 -12.098  15.079
  300    HA   PRO  39           HA       PRO  39   0.113  -6.098   9.018
  301    HB2  PRO  39           1HB      PRO  39   1.740  -4.181   9.953
  302    HB3  PRO  39           2HB      PRO  39   0.001  -3.916   9.773
  303    HG2  PRO  39           1HG      PRO  39   1.563  -4.585  12.240
  304    HG3  PRO  39           2HG      PRO  39   0.268  -3.394  12.028
  305    HD2  PRO  39           1HD      PRO  39  -0.117  -5.870  13.100
  306    HD3  PRO  39           2HD      PRO  39  -1.378  -4.965  12.239
  307    H    LYS  40           H        LYS  40   2.753  -5.309   8.889
  308    HA   LYS  40           HA       LYS  40   4.535  -6.891  10.406
  309    HB2  LYS  40           1HB      LYS  40   3.233  -8.360   8.426
  310    HB3  LYS  40           2HB      LYS  40   4.791  -7.965   7.713
  311    HG2  LYS  40           1HG      LYS  40   4.304  -9.403  10.313
  312    HG3  LYS  40           2HG      LYS  40   4.938 -10.087   8.816
  313    HD2  LYS  40           1HD      LYS  40   6.925  -8.711   8.991
  314    HD3  LYS  40           2HD      LYS  40   6.283  -7.929  10.438
  315    HE2  LYS  40           1HE      LYS  40   6.235 -10.186  11.523
  316    HE3  LYS  40           2HE      LYS  40   7.090 -10.814  10.114
  317    HZ1  LYS  40           3HZ      LYS  40   8.261  -8.474  11.388
  318    HZ2  LYS  40           1HZ      LYS  40   9.013  -9.843  10.736
  319    HZ3  LYS  40           2HZ      LYS  40   8.323  -9.914  12.281
  320    H    ARG  41           H        ARG  41   4.094  -5.566   7.123
  321    HA   ARG  41           HA       ARG  41   6.636  -4.109   7.462
  322    HB2  ARG  41           1HB      ARG  41   5.783  -5.831   5.142
  323    HB3  ARG  41           2HB      ARG  41   6.954  -4.538   4.938
  324    HG2  ARG  41           1HG      ARG  41   8.407  -5.616   6.600
  325    HG3  ARG  41           2HG      ARG  41   7.238  -6.934   6.742
  326    HD2  ARG  41           1HD      ARG  41   7.573  -7.579   4.475
  327    HD3  ARG  41           2HD      ARG  41   8.510  -6.126   4.134
  328    HE   ARG  41           HE       ARG  41   9.790  -7.567   6.177
  329   HH11  ARG  41          2HH1      ARG  41   9.021  -7.913   2.763
  330   HH12  ARG  41          1HH1      ARG  41  10.498  -8.754   2.394
  331   HH21  ARG  41          2HH2      ARG  41  11.683  -8.736   5.699
  332   HH22  ARG  41          1HH2      ARG  41  11.988  -9.276   4.072
  333    H    LYS  42           H        LYS  42   6.772  -2.112   6.449
  334    HA   LYS  42           HA       LYS  42   4.313  -0.759   5.854
  335    HB2  LYS  42           1HB      LYS  42   7.181   0.085   5.382
  336    HB3  LYS  42           2HB      LYS  42   5.780   1.126   5.183
  337    HG2  LYS  42           1HG      LYS  42   5.271   0.723   7.610
  338    HG3  LYS  42           2HG      LYS  42   6.851  -0.056   7.724
  339    HD2  LYS  42           1HD      LYS  42   7.917   2.001   6.933
  340    HD3  LYS  42           2HD      LYS  42   6.336   2.780   6.836
  341    HE2  LYS  42           1HE      LYS  42   7.360   3.465   8.875
  342    HE3  LYS  42           2HE      LYS  42   6.061   2.347   9.277
  343    HZ1  LYS  42           3HZ      LYS  42   8.802   1.325   8.954
  344    HZ2  LYS  42           1HZ      LYS  42   7.533   0.714   9.901
  345    HZ3  LYS  42           2HZ      LYS  42   8.363   2.105  10.395
  346    H    VAL  43           H        VAL  43   3.464  -0.225   3.874
  347    HA   VAL  43           HA       VAL  43   4.169  -1.942   1.710
  348    HB   VAL  43           HB       VAL  43   2.375  -0.794   0.461
  349   HG11  VAL  43          1HG1      VAL  43   1.174  -1.284   3.122
  350   HG12  VAL  43          2HG1      VAL  43   0.732  -1.930   1.541
  351   HG13  VAL  43          3HG1      VAL  43   2.121  -2.588   2.407
  352   HG21  VAL  43          3HG2      VAL  43   1.445   1.151   1.062
  353   HG22  VAL  43          1HG2      VAL  43   1.425   0.723   2.773
  354   HG23  VAL  43          2HG2      VAL  43   2.898   1.358   2.040
  355    H    ARG  44           H        ARG  44   5.469  -1.602   0.028
  356    HA   ARG  44           HA       ARG  44   6.560   1.105  -0.311
  357    HB2  ARG  44           1HB      ARG  44   7.615  -1.555  -1.279
  358    HB3  ARG  44           2HB      ARG  44   8.313  -0.004  -1.715
  359    HG2  ARG  44           1HG      ARG  44   9.682  -0.696  -0.004
  360    HG3  ARG  44           2HG      ARG  44   8.533   0.340   0.842
  361    HD2  ARG  44           1HD      ARG  44   8.917  -1.714   2.086
  362    HD3  ARG  44           2HD      ARG  44   7.251  -1.631   1.516
  363    HE   ARG  44           HE       ARG  44   8.767  -3.040  -0.377
  364   HH11  ARG  44          2HH1      ARG  44   7.637  -3.398   2.914
  365   HH12  ARG  44          1HH1      ARG  44   7.532  -5.129   2.812
  366   HH21  ARG  44          2HH2      ARG  44   8.650  -5.306  -0.505
  367   HH22  ARG  44          1HH2      ARG  44   8.097  -6.226   0.869
  368    H    VAL  45           H        VAL  45   5.624   2.265  -1.842
  369    HA   VAL  45           HA       VAL  45   4.197   0.937  -4.004
  370    HB   VAL  45           HB       VAL  45   3.637   3.308  -4.719
  371   HG11  VAL  45          1HG1      VAL  45   2.412   3.362  -2.169
  372   HG12  VAL  45          2HG1      VAL  45   1.737   2.801  -3.697
  373   HG13  VAL  45          3HG1      VAL  45   2.591   1.673  -2.644
  374   HG21  VAL  45          3HG2      VAL  45   5.403   3.869  -2.478
  375   HG22  VAL  45          1HG2      VAL  45   4.838   4.931  -3.768
  376   HG23  VAL  45          2HG2      VAL  45   3.840   4.676  -2.335
  377    H    CYS  46           H        CYS  46   4.703   1.170  -6.163
  378    HA   CYS  46           HA       CYS  46   7.447   1.105  -6.732
  379    HB2  CYS  46           1HB      CYS  46   6.858   0.582  -8.933
  380    HB3  CYS  46           2HB      CYS  46   5.507  -0.027  -7.984
  381    H    GLU  47           H        GLU  47   8.574   2.386  -8.326
  382    HA   GLU  47           HA       GLU  47   8.861   5.036  -7.715
  383    HB2  GLU  47           1HB      GLU  47  10.503   3.835  -9.027
  384    HB3  GLU  47           2HB      GLU  47   9.374   3.669 -10.365
  385    HG2  GLU  47           1HG      GLU  47   9.360   6.152 -10.565
  386    HG3  GLU  47           2HG      GLU  47  10.630   6.204  -9.342
  387    H    ASN  48           H        ASN  48   6.819   3.686 -10.327
  388    HA   ASN  48           HA       ASN  48   6.063   6.143 -11.408
  389    HB2  ASN  48           1HB      ASN  48   4.791   3.426 -11.448
  390    HB3  ASN  48           2HB      ASN  48   4.025   4.801 -12.238
  391   HD21  ASN  48          1HD2      ASN  48   4.514   5.089 -14.274
  392   HD22  ASN  48          2HD2      ASN  48   5.969   4.562 -15.066
  393    H    CYS  49           H        CYS  49   4.636   4.331  -8.750
  394    HA   CYS  49           HA       CYS  49   2.542   6.349  -8.447
  395    HB2  CYS  49           1HB      CYS  49   3.085   3.904  -6.772
  396    HB3  CYS  49           2HB      CYS  49   1.650   4.918  -6.700
  397    H    SER  50           H        SER  50   5.104   7.335  -8.135
  398    HA   SER  50           HA       SER  50   5.001   8.278  -5.407
  399    HB2  SER  50           1HB      SER  50   7.426   6.803  -6.446
  400    HB3  SER  50           2HB      SER  50   7.366   7.715  -4.943
  401    HG   SER  50           HG       SER  50   5.315   5.942  -5.142
  402    H    PHE  51           H        PHE  51   6.670   8.349  -8.542
  403    HA   PHE  51           HA       PHE  51   8.217  10.588  -8.049
  404    HB2  PHE  51           1HB      PHE  51   8.397  10.875 -10.497
  405    HB3  PHE  51           2HB      PHE  51   8.681   9.229  -9.966
  406    HD1  PHE  51           HD1      PHE  51   5.560  11.123 -10.855
  407    HD2  PHE  51           HD2      PHE  51   8.075   7.767 -11.587
  408    HE1  PHE  51           HE1      PHE  51   3.982  10.316 -12.558
  409    HE2  PHE  51           HE2      PHE  51   6.494   6.953 -13.284
  410    HZ   PHE  51           HZ       PHE  51   4.444   8.226 -13.775
  411    H    GLY  52           H        GLY  52   4.823  10.465  -8.626
  412    HA2  GLY  52           2HA      GLY  52   4.482  13.156  -7.888
  413    HA3  GLY  52           1HA      GLY  52   4.367  13.031  -9.635
  414    H    LYS  53           H        LYS  53   2.444  13.724  -7.552
  415    HA   LYS  53           HA       LYS  53   0.316  13.527  -6.939
  416    HB2  LYS  53           1HB      LYS  53  -1.311  12.988  -8.705
  417    HB3  LYS  53           2HB      LYS  53  -0.083  14.134  -9.206
  418    HG2  LYS  53           1HG      LYS  53   1.008  12.488 -10.537
  419    HG3  LYS  53           2HG      LYS  53  -0.003  11.204  -9.872
  420    HD2  LYS  53           1HD      LYS  53  -1.974  12.215 -10.895
  421    HD3  LYS  53           2HD      LYS  53  -0.982  13.525 -11.534
  422    HE2  LYS  53           1HE      LYS  53   0.213  12.016 -12.953
  423    HE3  LYS  53           2HE      LYS  53  -0.555  10.618 -12.202
  424    HZ1  LYS  53           3HZ      LYS  53  -2.264  10.789 -13.580
  425    HZ2  LYS  53           1HZ      LYS  53  -1.428  11.999 -14.427
  426    HZ3  LYS  53           2HZ      LYS  53  -2.508  12.425 -13.192
  427    H    GLN  54           H        GLN  54   0.898  10.415  -8.596
  428    HA   GLN  54           HA       GLN  54  -1.135   9.135  -7.057
  429    HB2  GLN  54           1HB      GLN  54  -0.072   8.649  -9.458
  430    HB3  GLN  54           2HB      GLN  54   0.909   7.542  -8.510
  431    HG2  GLN  54           1HG      GLN  54  -0.987   6.387  -9.429
  432    HG3  GLN  54           2HG      GLN  54  -1.126   6.468  -7.674
  433   HE21  GLN  54          1HE2      GLN  54  -2.616   7.098 -10.632
  434   HE22  GLN  54          2HE2      GLN  54  -3.989   7.986 -10.035
  435    H    ALA  55           H        ALA  55   0.622  10.205  -5.228
  436    HA   ALA  55           HA       ALA  55   1.672   7.762  -3.983
  437    HB1  ALA  55           3HB      ALA  55   3.224  10.206  -3.440
  438    HB2  ALA  55           1HB      ALA  55   3.760   8.540  -3.657
  439    HB3  ALA  55           2HB      ALA  55   3.386   9.536  -5.064
  440    H    LYS  56           H        LYS  56   0.799  11.166  -3.522
  441    HA   LYS  56           HA       LYS  56   0.631  11.063  -0.714
  442    HB2  LYS  56           1HB      LYS  56  -0.800  12.917  -2.624
  443    HB3  LYS  56           2HB      LYS  56  -0.626  13.171  -0.895
  444    HG2  LYS  56           1HG      LYS  56   1.788  13.342  -1.139
  445    HG3  LYS  56           2HG      LYS  56   1.643  13.040  -2.872
  446    HD2  LYS  56           1HD      LYS  56   0.375  15.364  -1.425
  447    HD3  LYS  56           2HD      LYS  56   1.907  15.441  -2.297
  448    HE2  LYS  56           1HE      LYS  56   0.860  15.039  -4.372
  449    HE3  LYS  56           2HE      LYS  56  -0.639  14.522  -3.601
  450    HZ1  LYS  56           3HZ      LYS  56   0.445  17.281  -3.446
  451    HZ2  LYS  56           1HZ      LYS  56  -1.060  16.739  -2.882
  452    HZ3  LYS  56           2HZ      LYS  56  -0.745  16.784  -4.545
  453    H    ASN  57           H        ASN  57  -1.879  10.775  -3.219
  454    HA   ASN  57           HA       ASN  57  -4.003  10.529  -1.396
  455    HB2  ASN  57           1HB      ASN  57  -5.365   9.767  -3.250
  456    HB3  ASN  57           2HB      ASN  57  -4.376  11.120  -3.758
  457   HD21  ASN  57          1HD2      ASN  57  -3.069  10.886  -5.460
  458   HD22  ASN  57          2HD2      ASN  57  -2.861   9.403  -6.333
  459    H    CYS  58           H        CYS  58  -5.185   8.814  -0.757
  460    HA   CYS  58           HA       CYS  58  -3.876   6.654   0.323
  461    HB2  CYS  58           1HB      CYS  58  -5.982   7.401   1.131
  462    HB3  CYS  58           2HB      CYS  58  -6.750   7.133  -0.423
  463    H    ILE  59           H        ILE  59  -3.099   4.842  -0.455
  464    HA   ILE  59           HA       ILE  59  -3.082   4.286  -3.190
  465    HB   ILE  59           HB       ILE  59  -1.968   2.147  -2.549
  466   HG12  ILE  59          1HG1      ILE  59  -2.575   3.161   0.239
  467   HG13  ILE  59          2HG1      ILE  59  -3.080   1.631  -0.468
  468   HG21  ILE  59          1HG2      ILE  59  -0.282   3.587  -2.773
  469   HG22  ILE  59          2HG2      ILE  59  -1.158   4.868  -1.932
  470   HG23  ILE  59          3HG2      ILE  59  -0.261   3.659  -1.010
  471   HD11  ILE  59          3HD1      ILE  59  -0.299   1.623  -0.637
  472   HD12  ILE  59          1HD1      ILE  59  -0.669   2.289   0.959
  473   HD13  ILE  59          2HD1      ILE  59  -1.309   0.710   0.483
  474    H    ILE  60           H        ILE  60  -5.241   3.168  -0.708
  475    HA   ILE  60           HA       ILE  60  -6.154   0.911  -2.214
  476    HB   ILE  60           HB       ILE  60  -7.225   2.162   0.310
  477   HG12  ILE  60          1HG1      ILE  60  -5.614  -0.338  -0.249
  478   HG13  ILE  60          2HG1      ILE  60  -5.037   1.119   0.552
  479   HG21  ILE  60          1HG2      ILE  60  -9.003   1.010  -0.993
  480   HG22  ILE  60          2HG2      ILE  60  -8.041  -0.467  -0.929
  481   HG23  ILE  60          3HG2      ILE  60  -8.662   0.247   0.560
  482   HD11  ILE  60          3HD1      ILE  60  -7.011  -0.894   1.576
  483   HD12  ILE  60          1HD1      ILE  60  -5.428  -0.482   2.236
  484   HD13  ILE  60          2HD1      ILE  60  -6.754   0.677   2.335
  485    H    CYS  61           H        CYS  61  -7.481   4.180  -1.598
  486    HA   CYS  61           HA       CYS  61  -9.579   3.444  -3.516
  487    HB2  CYS  61           1HB      CYS  61 -11.036   5.119  -2.532
  488    HB3  CYS  61           2HB      CYS  61 -10.502   3.962  -1.314
  489    H    ASN  62           H        ASN  62  -6.767   5.038  -3.475
  490    HA   ASN  62           HA       ASN  62  -5.918   6.946  -4.409
  491    HB2  ASN  62           1HB      ASN  62  -5.846   6.765  -6.848
  492    HB3  ASN  62           2HB      ASN  62  -5.492   5.258  -6.035
  493   HD21  ASN  62          1HD2      ASN  62  -8.843   5.930  -6.122
  494   HD22  ASN  62          2HD2      ASN  62  -9.221   4.948  -7.496
  495    H    LEU  63           H        LEU  63  -7.874   8.038  -3.221
  496    HA   LEU  63           HA       LEU  63  -8.841  10.081  -5.047
  497    HB2  LEU  63           1HB      LEU  63 -10.406   7.863  -4.496
  498    HB3  LEU  63           2HB      LEU  63 -10.991   9.056  -3.347
  499    HG   LEU  63           HG       LEU  63 -12.408   9.342  -5.161
  500   HD11  LEU  63          1HD1      LEU  63 -10.153  11.269  -5.694
  501   HD12  LEU  63          2HD1      LEU  63 -11.827  11.454  -6.223
  502   HD13  LEU  63          3HD1      LEU  63 -11.438  11.479  -4.503
  503   HD21  LEU  63          3HD2      LEU  63 -10.884   7.834  -6.583
  504   HD22  LEU  63          1HD2      LEU  63 -11.898   9.027  -7.399
  505   HD23  LEU  63          2HD2      LEU  63 -10.180   9.347  -7.157
  506    H    ASN  64           H        ASN  64  -9.443   8.754  -1.820
  507    HA   ASN  64           HA       ASN  64  -9.505  11.323  -0.554
  508    HB2  ASN  64           1HB      ASN  64  -9.351   8.510   0.539
  509    HB3  ASN  64           2HB      ASN  64  -9.460   9.936   1.558
  510   HD21  ASN  64          1HD2      ASN  64 -11.200  10.865  -0.947
  511   HD22  ASN  64          2HD2      ASN  64 -12.757  10.254  -0.513
  512    H    VAL  65           H        VAL  65  -7.888  12.320   0.628
  513    HA   VAL  65           HA       VAL  65  -5.247  11.839  -0.198
  514    HB   VAL  65           HB       VAL  65  -5.992  14.060   0.428
  515   HG11  VAL  65          1HG1      VAL  65  -7.015  14.532   2.334
  516   HG12  VAL  65          2HG1      VAL  65  -7.075  12.790   2.605
  517   HG13  VAL  65          3HG1      VAL  65  -5.761  13.741   3.290
  518   HG21  VAL  65          3HG2      VAL  65  -4.053  14.378   2.270
  519   HG22  VAL  65          1HG2      VAL  65  -3.609  12.803   1.614
  520   HG23  VAL  65          2HG2      VAL  65  -3.748  14.198   0.543
  521    H    GLY  66           H        GLY  66  -3.595  10.706   0.640
  522    HA2  GLY  66           2HA      GLY  66  -4.188   8.793   2.706
  523    HA3  GLY  66           1HA      GLY  66  -2.673   8.955   1.832
  524    H    VAL  67           H        VAL  67  -3.454   8.718   4.756
  525    HA   VAL  67           HA       VAL  67  -1.870  11.021   5.677
  526    HB   VAL  67           HB       VAL  67  -3.178  10.905   7.825
  527   HG11  VAL  67          1HG1      VAL  67  -4.371  11.752   5.218
  528   HG12  VAL  67          2HG1      VAL  67  -5.274  11.959   6.718
  529   HG13  VAL  67          3HG1      VAL  67  -3.706  12.741   6.518
  530   HG21  VAL  67          3HG2      VAL  67  -4.099   8.612   7.366
  531   HG22  VAL  67          1HG2      VAL  67  -5.283   9.804   7.905
  532   HG23  VAL  67          2HG2      VAL  67  -5.189   9.363   6.201
  533    H    ASN  68           H        ASN  68  -2.773   7.638   6.265
  534    HA   ASN  68           HA       ASN  68  -0.350   7.408   7.933
  535    HB2  ASN  68           1HB      ASN  68  -2.903   5.794   8.096
  536    HB3  ASN  68           2HB      ASN  68  -1.458   5.502   9.060
  537   HD21  ASN  68          1HD2      ASN  68  -4.403   6.685   9.297
  538   HD22  ASN  68          2HD2      ASN  68  -4.168   7.957  10.447
  539    H    ASP  69           H        ASP  69   1.099   5.847   7.484
  540    HA   ASP  69           HA       ASP  69   1.185   4.749   4.869
  541    HB2  ASP  69           1HB      ASP  69   2.770   3.784   7.265
  542    HB3  ASP  69           2HB      ASP  69   3.213   3.657   5.568
  543    H    ALA  70           H        ALA  70   0.728   2.756   4.095
  544    HA   ALA  70           HA       ALA  70  -0.995   1.063   5.703
  545    HB1  ALA  70           3HB      ALA  70  -0.404  -0.197   3.255
  546    HB2  ALA  70           1HB      ALA  70  -1.893   0.628   3.725
  547    HB3  ALA  70           2HB      ALA  70  -0.607   1.522   2.913
  548    H    PHE  71           H        PHE  71  -0.591  -1.132   6.112
  549    HA   PHE  71           HA       PHE  71   2.219  -1.954   5.857
  550    HB2  PHE  71           1HB      PHE  71   0.383  -2.212   8.233
  551    HB3  PHE  71           2HB      PHE  71   1.748  -3.297   8.012
  552    HD1  PHE  71           HD2      PHE  71   1.193   0.402   7.764
  553    HD2  PHE  71           HD1      PHE  71   3.539  -2.796   9.307
  554    HE1  PHE  71           HE2      PHE  71   2.663   2.025   8.883
  555    HE2  PHE  71           HE1      PHE  71   5.008  -1.176  10.431
  556    HZ   PHE  71           HZ       PHE  71   4.574   1.236  10.218
  557    H    TYR  72           H        TYR  72   2.520  -3.939   5.018
  558    HA   TYR  72           HA       TYR  72   0.315  -5.462   3.989
  559    HB2  TYR  72           1HB      TYR  72   3.157  -6.410   4.446
  560    HB3  TYR  72           2HB      TYR  72   1.957  -7.150   3.400
  561    HD1  TYR  72           HD1      TYR  72   1.260  -5.932   1.299
  562    HD2  TYR  72           HD2      TYR  72   4.566  -4.702   3.674
  563    HE1  TYR  72           HE1      TYR  72   2.163  -4.683  -0.617
  564    HE2  TYR  72           HE2      TYR  72   5.475  -3.446   1.769
  565    HH   TYR  72           HH       TYR  72   4.339  -3.812  -1.403
  566    H    CYS  73           H        CYS  73  -0.909  -6.848   5.126
  567    HA   CYS  73           HA       CYS  73  -0.483  -7.253   7.879
  568    HB2  CYS  73           1HB      CYS  73  -2.468  -8.466   7.897
  569    HB3  CYS  73           2HB      CYS  73  -2.691  -7.387   6.528
  570    H    TRP  74           H        TRP  74   0.023  -9.168   9.010
  571    HA   TRP  74           HA       TRP  74   2.340 -10.413   8.207
  572    HB2  TRP  74           1HB      TRP  74   1.549 -10.370  10.533
  573    HB3  TRP  74           2HB      TRP  74   0.268 -11.507  10.122
  574    HD1  TRP  74           HD1      TRP  74   4.141 -11.490   9.770
  575    HE1  TRP  74           HE1      TRP  74   5.008 -13.827  10.416
  576    HE3  TRP  74           HE3      TRP  74  -0.327 -13.741  10.775
  577    HZ2  TRP  74           HZ2      TRP  74   3.925 -16.300  11.243
  578    HZ3  TRP  74           HZ3      TRP  74  -0.327 -16.096  11.484
  579    HH2  TRP  74           HH2      TRP  74   1.755 -17.348  11.710
  580    H    GLU  75           H        GLU  75  -0.976 -11.496   7.733
  581    HA   GLU  75           HA       GLU  75  -0.462 -14.099   6.881
  582    HB2  GLU  75           1HB      GLU  75  -2.676 -12.225   6.038
  583    HB3  GLU  75           2HB      GLU  75  -2.659 -13.957   5.738
  584    HG2  GLU  75           1HG      GLU  75  -2.582 -14.332   8.182
  585    HG3  GLU  75           2HG      GLU  75  -2.740 -12.591   8.417
  586    H    CYS  76           H        CYS  76  -0.663 -11.099   4.979
  587    HA   CYS  76           HA       CYS  76  -0.090 -12.416   2.494
  588    HB2  CYS  76           1HB      CYS  76  -0.046  -9.496   3.272
  589    HB3  CYS  76           2HB      CYS  76   0.279 -10.076   1.643
  590    H    CYS  77           H        CYS  77   1.779 -10.698   4.939
  591    HA   CYS  77           HA       CYS  77   4.206 -10.566   3.503
  592    HB2  CYS  77           1HB      CYS  77   3.566  -9.329   5.654
  593    HB3  CYS  77           2HB      CYS  77   4.016 -10.805   6.503
  594    HG   CYS  77           HG       CYS  77   6.266  -9.438   4.363
  595    H    ARG  78           H        ARG  78   2.762 -13.034   5.537
  596    HA   ARG  78           HA       ARG  78   4.962 -14.807   5.668
  597    HB2  ARG  78           1HB      ARG  78   3.191 -15.226   7.172
  598    HB3  ARG  78           2HB      ARG  78   1.982 -15.168   5.897
  599    HG2  ARG  78           1HG      ARG  78   2.811 -17.274   4.999
  600    HG3  ARG  78           2HG      ARG  78   4.050 -17.328   6.254
  601    HD2  ARG  78           1HD      ARG  78   2.446 -17.627   7.960
  602    HD3  ARG  78           2HD      ARG  78   1.115 -17.184   6.893
  603    HE   ARG  78           HE       ARG  78   0.986 -19.355   6.254
  604   HH11  ARG  78          2HH1      ARG  78   4.186 -18.842   7.615
  605   HH12  ARG  78          1HH1      ARG  78   4.717 -20.467   7.277
  606   HH21  ARG  78          2HH2      ARG  78   1.690 -21.491   5.829
  607   HH22  ARG  78          1HH2      ARG  78   3.308 -21.959   6.279
  608    H    LEU  79           H        LEU  79   2.332 -14.402   3.354
  609    HA   LEU  79           HA       LEU  79   3.190 -16.587   1.686
  610    HB2  LEU  79           1HB      LEU  79   1.257 -14.340   1.111
  611    HB3  LEU  79           2HB      LEU  79   1.456 -15.793   0.150
  612    HG   LEU  79           HG       LEU  79   0.461 -15.711   3.000
  613   HD11  LEU  79          1HD1      LEU  79  -1.081 -14.771   1.271
  614   HD12  LEU  79          2HD1      LEU  79  -1.064 -16.349   0.483
  615   HD13  LEU  79          3HD1      LEU  79  -1.700 -16.187   2.121
  616   HD21  LEU  79          3HD2      LEU  79   1.587 -17.776   2.640
  617   HD22  LEU  79          1HD2      LEU  79  -0.143 -18.095   2.506
  618   HD23  LEU  79          2HD2      LEU  79   0.848 -17.975   1.051
  619    H    GLY  80           H        GLY  80   4.560 -13.718   2.295
  620    HA2  GLY  80           2HA      GLY  80   6.145 -12.442   1.247
  621    HA3  GLY  80           1HA      GLY  80   6.308 -13.759   0.095
  622    H    LYS  81           H        LYS  81   3.322 -11.995   0.655
  623    HA   LYS  81           HA       LYS  81   3.161 -11.341  -2.137
  624    HB2  LYS  81           1HB      LYS  81   1.347 -10.738   0.199
  625    HB3  LYS  81           2HB      LYS  81   1.006 -10.217  -1.447
  626    HG2  LYS  81           1HG      LYS  81   1.095 -12.606  -2.150
  627    HG3  LYS  81           2HG      LYS  81   1.237 -13.048  -0.447
  628    HD2  LYS  81           1HD      LYS  81  -0.911 -12.106   0.044
  629    HD3  LYS  81           2HD      LYS  81  -1.031 -11.412  -1.573
  630    HE2  LYS  81           1HE      LYS  81  -1.017 -13.704  -2.512
  631    HE3  LYS  81           2HE      LYS  81  -1.014 -14.345  -0.869
  632    HZ1  LYS  81           3HZ      LYS  81  -3.238 -14.343  -1.710
  633    HZ2  LYS  81           1HZ      LYS  81  -3.144 -12.702  -2.128
  634    HZ3  LYS  81           2HZ      LYS  81  -3.131 -13.166  -0.494
  635    H    ASP  82           H        ASP  82   4.334  -9.836   0.686
  636    HA   ASP  82           HA       ASP  82   4.137  -7.125  -0.225
  637    HB2  ASP  82           1HB      ASP  82   5.374  -6.517   1.670
  638    HB3  ASP  82           2HB      ASP  82   4.469  -7.927   2.203
  639    H    LYS  83           H        LYS  83   6.178  -9.800  -0.830
  640    HA   LYS  83           HA       LYS  83   8.422  -8.348  -1.866
  641    HB2  LYS  83           1HB      LYS  83   7.573 -11.222  -2.253
  642    HB3  LYS  83           2HB      LYS  83   9.100 -10.546  -2.797
  643    HG2  LYS  83           1HG      LYS  83   9.696 -10.053  -0.470
  644    HG3  LYS  83           2HG      LYS  83   8.173 -10.776   0.057
  645    HD2  LYS  83           1HD      LYS  83   8.851 -12.907  -0.965
  646    HD3  LYS  83           2HD      LYS  83  10.384 -12.178  -1.443
  647    HE2  LYS  83           1HE      LYS  83   9.394 -12.504   1.387
  648    HE3  LYS  83           2HE      LYS  83  10.603 -13.518   0.600
  649    HZ1  LYS  83           3HZ      LYS  83  12.158 -11.849   0.646
  650    HZ2  LYS  83           1HZ      LYS  83  11.342 -11.574   2.107
  651    HZ3  LYS  83           2HZ      LYS  83  11.018 -10.606   0.753
  652    H    ASP  84           H        ASP  84   5.341  -9.382  -3.061
  653    HA   ASP  84           HA       ASP  84   5.811  -9.649  -5.778
  654    HB2  ASP  84           1HB      ASP  84   3.392  -8.721  -4.247
  655    HB3  ASP  84           2HB      ASP  84   3.381  -8.782  -6.005
  656    H    GLY  85           H        GLY  85   4.674  -6.688  -4.116
  657    HA2  GLY  85           2HA      GLY  85   6.472  -4.936  -4.944
  658    HA3  GLY  85           1HA      GLY  85   5.537  -5.116  -6.415
  659    H    CYS  86           H        CYS  86   4.720  -3.203  -6.591
  660    HA   CYS  86           HA       CYS  86   3.900  -1.471  -4.583
  661    HB2  CYS  86           1HB      CYS  86   4.594  -0.894  -6.879
  662    HB3  CYS  86           2HB      CYS  86   3.096  -1.574  -7.491
  663    HA   PRO  87           HA       PRO  87  -0.143  -3.294  -3.795
  664    HB2  PRO  87           1HB      PRO  87  -0.571  -2.118  -1.445
  665    HB3  PRO  87           2HB      PRO  87   0.644  -3.390  -1.620
  666    HG2  PRO  87           1HG      PRO  87   1.011  -0.422  -1.521
  667    HG3  PRO  87           2HG      PRO  87   1.959  -1.692  -0.725
  668    HD2  PRO  87           1HD      PRO  87   2.684  -0.445  -3.071
  669    HD3  PRO  87           2HD      PRO  87   3.235  -2.059  -2.582
  670    H    ARG  88           H        ARG  88   0.047  -1.044  -5.611
  671    HA   ARG  88           HA       ARG  88  -1.882   0.917  -4.716
  672    HB2  ARG  88           1HB      ARG  88  -0.157   0.517  -7.084
  673    HB3  ARG  88           2HB      ARG  88  -1.668   1.368  -7.369
  674    HG2  ARG  88           1HG      ARG  88   0.120   2.199  -5.129
  675    HG3  ARG  88           2HG      ARG  88   0.463   2.705  -6.786
  676    HD2  ARG  88           1HD      ARG  88  -1.630   3.803  -6.972
  677    HD3  ARG  88           2HD      ARG  88  -2.214   3.081  -5.477
  678    HE   ARG  88           HE       ARG  88   0.114   4.691  -5.073
  679   HH11  ARG  88          2HH1      ARG  88  -3.357   4.802  -5.492
  680   HH12  ARG  88          1HH1      ARG  88  -3.530   6.327  -4.666
  681   HH21  ARG  88          2HH2      ARG  88  -0.121   6.676  -3.958
  682   HH22  ARG  88          1HH2      ARG  88  -1.703   7.352  -3.737
  683    H    ILE  89           H        ILE  89  -4.016   0.644  -4.821
  684    HA   ILE  89           HA       ILE  89  -5.159  -1.584  -6.262
  685    HB   ILE  89           HB       ILE  89  -6.423   0.632  -4.642
  686   HG12  ILE  89          1HG1      ILE  89  -5.150  -0.985  -3.327
  687   HG13  ILE  89          2HG1      ILE  89  -6.874  -1.178  -3.028
  688   HG21  ILE  89          1HG2      ILE  89  -8.496  -0.769  -4.754
  689   HG22  ILE  89          2HG2      ILE  89  -8.049   0.017  -6.269
  690   HG23  ILE  89          3HG2      ILE  89  -7.722  -1.700  -6.036
  691   HD11  ILE  89          3HD1      ILE  89  -6.498  -2.957  -5.036
  692   HD12  ILE  89          1HD1      ILE  89  -4.944  -3.040  -4.206
  693   HD13  ILE  89          2HD1      ILE  89  -6.436  -3.352  -3.318
  694    H    LEU  90           H        LEU  90  -5.443  -1.463  -8.381
  695    HA   LEU  90           HA       LEU  90  -5.894   1.154  -9.615
  696    HB2  LEU  90           1HB      LEU  90  -5.196  -1.414 -11.010
  697    HB3  LEU  90           2HB      LEU  90  -5.053   0.219 -11.631
  698    HG   LEU  90           HG       LEU  90  -3.397  -0.943  -9.393
  699   HD11  LEU  90          1HD1      LEU  90  -2.736  -2.009 -11.373
  700   HD12  LEU  90          2HD1      LEU  90  -2.869  -0.521 -12.311
  701   HD13  LEU  90          3HD1      LEU  90  -1.580  -0.698 -11.121
  702   HD21  LEU  90          3HD2      LEU  90  -3.354   1.733 -10.769
  703   HD22  LEU  90          1HD2      LEU  90  -3.541   1.394  -9.047
  704   HD23  LEU  90          2HD2      LEU  90  -1.995   1.094  -9.842
  705    H    ASN  91           H        ASN  91  -7.321  -1.952  -9.138
  706    HA   ASN  91           HA       ASN  91  -9.108  -2.054 -11.254
  707    HB2  ASN  91           1HB      ASN  91 -10.403  -3.657  -9.856
  708    HB3  ASN  91           2HB      ASN  91  -8.682  -4.017  -9.939
  709   HD21  ASN  91          1HD2      ASN  91 -11.275  -3.754  -7.918
  710   HD22  ASN  91          2HD2      ASN  91 -10.437  -3.562  -6.415
  711    H    LEU  92           H        LEU  92  -9.333  -0.212  -8.325
  712    HA   LEU  92           HA       LEU  92 -12.132   0.154  -8.311
  713    HB2  LEU  92           1HB      LEU  92 -10.668   0.653  -6.385
  714    HB3  LEU  92           2HB      LEU  92  -9.995   2.009  -7.271
  715    HG   LEU  92           HG       LEU  92 -12.331   2.979  -7.357
  716   HD11  LEU  92          1HD1      LEU  92 -12.825   0.550  -5.724
  717   HD12  LEU  92          2HD1      LEU  92 -13.681   2.033  -5.302
  718   HD13  LEU  92          3HD1      LEU  92 -13.854   1.346  -6.916
  719   HD21  LEU  92          3HD2      LEU  92 -12.179   3.967  -5.214
  720   HD22  LEU  92          1HD2      LEU  92 -11.293   2.587  -4.564
  721   HD23  LEU  92          2HD2      LEU  92 -10.526   3.650  -5.744
  722    H    GLY  93           H        GLY  93 -13.389   1.271  -9.616
  723    HA2  GLY  93           2HA      GLY  93 -12.206   2.991 -11.649
  724    HA3  GLY  93           1HA      GLY  93 -13.877   2.457 -11.572
  725    H    SER  94           H        SER  94 -11.777   4.246  -9.322
  726    HA   SER  94           HA       SER  94 -12.100   6.160  -8.139
  727    HB2  SER  94           1HB      SER  94 -13.616   7.032 -10.609
  728    HB3  SER  94           2HB      SER  94 -12.857   8.083  -9.411
  729    HG   SER  94           HG       SER  94 -11.008   6.381 -10.258
  730    H    ASN  95           H        ASN  95 -13.591   4.507  -7.020
  731    HA   ASN  95           HA       ASN  95 -15.382   4.218  -5.651
  732    HB2  ASN  95           1HB      ASN  95 -16.359   6.813  -6.855
  733    HB3  ASN  95           2HB      ASN  95 -17.259   5.908  -5.645
  734   HD21  ASN  95          1HD2      ASN  95 -17.024   6.644  -3.675
  735   HD22  ASN  95          2HD2      ASN  95 -15.616   7.422  -3.029
  736    H    ARG  96           H        ARG  96 -16.849   5.680  -8.528
  737    HA   ARG  96           HA       ARG  96 -17.394   3.292  -9.837
  738    HB2  ARG  96           1HB      ARG  96 -18.977   2.744  -8.113
  739    HB3  ARG  96           2HB      ARG  96 -19.710   4.338  -8.198
  740    HG2  ARG  96           1HG      ARG  96 -21.042   2.513  -9.256
  741    HG3  ARG  96           2HG      ARG  96 -20.677   3.871 -10.322
  742    HD2  ARG  96           1HD      ARG  96 -20.389   1.717 -11.450
  743    HD3  ARG  96           2HD      ARG  96 -18.878   2.618 -11.349
  744    HE   ARG  96           HE       ARG  96 -19.235   0.760  -9.184
  745   HH11  ARG  96          2HH1      ARG  96 -18.050   1.199 -12.449
  746   HH12  ARG  96          1HH1      ARG  96 -17.087  -0.250 -12.439
  747   HH21  ARG  96          2HH2      ARG  96 -17.970  -1.149  -9.149
  748   HH22  ARG  96          1HH2      ARG  96 -17.045  -1.594 -10.559
  749    H    LEU  97           H        LEU  97 -19.561   6.070  -9.301
  750    HA   LEU  97           HA       LEU  97 -18.766   7.296 -11.796
  751    HB2  LEU  97           1HB      LEU  97 -21.465   5.995 -11.464
  752    HB3  LEU  97           2HB      LEU  97 -21.179   7.278 -12.623
  753    HG   LEU  97           HG       LEU  97 -19.682   4.653 -12.626
  754   HD11  LEU  97          1HD1      LEU  97 -21.161   3.798 -14.181
  755   HD12  LEU  97          2HD1      LEU  97 -22.243   4.623 -13.059
  756   HD13  LEU  97          3HD1      LEU  97 -21.815   5.383 -14.592
  757   HD21  LEU  97          3HD2      LEU  97 -19.778   7.044 -14.433
  758   HD22  LEU  97          1HD2      LEU  97 -18.376   6.193 -13.783
  759   HD23  LEU  97          2HD2      LEU  97 -19.345   5.451 -15.056
  760    H    ASP  98           H        ASP  98 -18.742   9.372 -11.406
  761    HA   ASP  98           HA       ASP  98 -20.268  10.564  -9.251
  762    HB2  ASP  98           1HB      ASP  98 -17.912  11.254  -9.913
  763    HB3  ASP  98           2HB      ASP  98 -18.609  11.962 -11.364
  764    H    ARG  99           H        ARG  99 -22.082  11.816  -9.472
  765    HA   ARG  99           HA       ARG  99 -23.985  12.656 -10.371
  766    HB2  ARG  99           1HB      ARG  99 -22.461  12.684 -12.983
  767    HB3  ARG  99           2HB      ARG  99 -24.010  13.467 -12.693
  768    HG2  ARG  99           1HG      ARG  99 -22.971  14.890 -11.001
  769    HG3  ARG  99           2HG      ARG  99 -21.417  14.119 -11.315
  770    HD2  ARG  99           1HD      ARG  99 -23.045  15.699 -13.299
  771    HD3  ARG  99           2HD      ARG  99 -21.614  16.277 -12.455
  772    HE   ARG  99           HE       ARG  99 -21.647  14.834 -14.850
  773   HH11  ARG  99          2HH1      ARG  99 -19.941  14.639 -11.775
  774   HH12  ARG  99          1HH1      ARG  99 -18.460  14.095 -12.506
  775   HH21  ARG  99          2HH2      ARG  99 -19.696  14.129 -15.778
  776   HH22  ARG  99          1HH2      ARG  99 -18.323  13.812 -14.756
  777    H    HIS 100           H        HIS 100 -24.461  10.354  -9.779
  778    HA   HIS 100           HA       HIS 100 -24.701   8.246 -11.537
  779    HB2  HIS 100           1HB      HIS 100 -25.124   8.146  -9.084
  780    HB3  HIS 100           2HB      HIS 100 -26.633   9.012  -9.325
  781    HD1  HIS 100           HD1      HIS 100 -27.492   6.757  -8.029
  782    HD2  HIS 100           HD2      HIS 100 -26.324   6.344 -12.002
  783    HE1  HIS 100           HE1      HIS 100 -28.486   4.580  -8.809
  784    HE2  HIS 100           HE2      HIS 100 -27.633   4.275 -11.165
  785    H    PHE 101           H        PHE 101 -25.895   7.855 -13.287
  786    HA   PHE 101           HA       PHE 101 -27.706   9.787 -14.333
  787    HB2  PHE 101           1HB      PHE 101 -26.347   8.391 -15.808
  788    HB3  PHE 101           2HB      PHE 101 -27.141   6.941 -15.205
  789    HD1  PHE 101           HD1      PHE 101 -28.928  10.074 -15.977
  790    HD2  PHE 101           HD2      PHE 101 -27.917   6.160 -17.303
  791    HE1  PHE 101           HE1      PHE 101 -30.608  10.249 -17.766
  792    HE2  PHE 101           HE2      PHE 101 -29.594   6.328 -19.095
  793    HZ   PHE 101           HZ       PHE 101 -30.945   8.373 -19.323
  794    H    GLU 102           H        GLU 102 -29.018   9.792 -12.321
  795    HA   GLU 102           HA       GLU 102 -31.463   8.366 -12.734
  796    HB2  GLU 102           1HB      GLU 102 -29.508   7.327 -10.846
  797    HB3  GLU 102           2HB      GLU 102 -31.016   7.741 -10.049
  798    HG2  GLU 102           1HG      GLU 102 -30.746   5.909 -12.421
  799    HG3  GLU 102           2HG      GLU 102 -30.922   5.394 -10.747
  800    H    LYS 103           H        LYS 103 -33.110   9.448 -11.942
  801    HA   LYS 103           HA       LYS 103 -33.327  10.781  -9.576
  802    HB2  LYS 103           1HB      LYS 103 -33.342  13.169 -10.151
  803    HB3  LYS 103           2HB      LYS 103 -31.745  12.476 -10.366
  804    HG2  LYS 103           1HG      LYS 103 -33.471  12.546 -12.758
  805    HG3  LYS 103           2HG      LYS 103 -32.912  14.100 -12.142
  806    HD2  LYS 103           1HD      LYS 103 -31.032  11.806 -12.626
  807    HD3  LYS 103           2HD      LYS 103 -31.479  12.931 -13.909
  808    HE2  LYS 103           1HE      LYS 103 -29.445  13.728 -13.002
  809    HE3  LYS 103           2HE      LYS 103 -30.710  14.790 -12.391
  810    HZ1  LYS 103           3HZ      LYS 103 -30.493  13.986 -10.276
  811    HZ2  LYS 103           1HZ      LYS 103 -28.890  13.853 -10.812
  812    HZ3  LYS 103           2HZ      LYS 103 -29.886  12.485 -10.771
  813    H    LYS 104           H        LYS 104 -34.209  11.053 -12.996
  814    HA   LYS 104           HA       LYS 104 -37.037  11.219 -12.203
  815    HB2  LYS 104           1HB      LYS 104 -35.752  11.684 -14.908
  816    HB3  LYS 104           2HB      LYS 104 -37.458  11.893 -14.531
  817    HG2  LYS 104           1HG      LYS 104 -36.959  13.721 -13.048
  818    HG3  LYS 104           2HG      LYS 104 -35.225  13.459 -13.256
  819    HD2  LYS 104           1HD      LYS 104 -35.390  14.036 -15.605
  820    HD3  LYS 104           2HD      LYS 104 -37.141  14.214 -15.462
  821    HE2  LYS 104           1HE      LYS 104 -35.102  15.866 -13.970
  822    HE3  LYS 104           2HE      LYS 104 -35.939  16.374 -15.436
  823    HZ1  LYS 104           3HZ      LYS 104 -37.190  15.752 -12.817
  824    HZ2  LYS 104           1HZ      LYS 104 -38.049  16.122 -14.229
  825    HZ3  LYS 104           2HZ      LYS 104 -37.037  17.286 -13.523
  826    H    LYS 105           H        LYS 105 -35.680   8.797 -11.844
  827    HA   LYS 105           HA       LYS 105 -35.868   6.573 -12.214
  828    HB2  LYS 105           1HB      LYS 105 -38.243   7.372 -13.909
  829    HB3  LYS 105           2HB      LYS 105 -37.875   5.735 -13.382
  830    HG2  LYS 105           1HG      LYS 105 -38.487   8.061 -11.569
  831    HG3  LYS 105           2HG      LYS 105 -39.608   6.772 -12.009
  832    HD2  LYS 105           1HD      LYS 105 -38.299   5.138 -10.881
  833    HD3  LYS 105           2HD      LYS 105 -36.963   6.269 -10.665
  834    HE2  LYS 105           1HE      LYS 105 -38.152   6.012  -8.578
  835    HE3  LYS 105           2HE      LYS 105 -38.396   7.641  -9.203
  836    HZ1  LYS 105           3HZ      LYS 105 -40.566   6.951 -10.037
  837    HZ2  LYS 105           1HZ      LYS 105 -40.450   6.713  -8.362
  838    HZ3  LYS 105           2HZ      LYS 105 -40.326   5.391  -9.418
  839    H    LYS 106           H        LYS 106 -33.831   7.059 -13.343
  840    HA   LYS 106           HA       LYS 106 -32.331   6.623 -14.983
  841    HB2  LYS 106           1HB      LYS 106 -34.647   5.156 -16.258
  842    HB3  LYS 106           2HB      LYS 106 -32.995   5.112 -16.857
  843    HG2  LYS 106           1HG      LYS 106 -33.872   4.183 -14.131
  844    HG3  LYS 106           2HG      LYS 106 -33.570   3.139 -15.521
  845    HD2  LYS 106           1HD      LYS 106 -31.254   3.749 -15.562
  846    HD3  LYS 106           2HD      LYS 106 -31.510   4.994 -14.339
  847    HE2  LYS 106           1HE      LYS 106 -30.472   2.990 -13.387
  848    HE3  LYS 106           2HE      LYS 106 -32.062   3.296 -12.692
  849    HZ1  LYS 106           3HZ      LYS 106 -31.991   1.534 -15.005
  850    HZ2  LYS 106           1HZ      LYS 106 -32.914   1.430 -13.588
  851    HZ3  LYS 106           2HZ      LYS 106 -31.295   0.923 -13.583
  852    H    VAL 107           H        VAL 107 -33.798   9.005 -14.939
  853    HA   VAL 107           HA       VAL 107 -33.244   9.935 -17.631
  854    HB   VAL 107           HB       VAL 107 -35.867  10.551 -16.228
  855   HG11  VAL 107          1HG1      VAL 107 -34.398  11.924 -18.353
  856   HG12  VAL 107          2HG1      VAL 107 -36.082  11.578 -18.746
  857   HG13  VAL 107          3HG1      VAL 107 -35.687  12.507 -17.300
  858   HG21  VAL 107          3HG2      VAL 107 -36.926   9.087 -17.550
  859   HG22  VAL 107          1HG2      VAL 107 -35.964   9.522 -18.963
  860   HG23  VAL 107          2HG2      VAL 107 -35.331   8.373 -17.784
  Start of MODEL    4
    1    H1   GLY  -1           1H       GLY  -1   3.294 -28.850 -18.751
    2    H2   GLY  -1           2H       GLY  -1   3.798 -27.254 -19.030
    3    H3   GLY  -1           3H       GLY  -1   2.157 -27.592 -18.782
    4    HA2  GLY  -1           1HA      GLY  -1   2.467 -28.092 -16.525
    5    HA3  GLY  -1           2HA      GLY  -1   4.212 -28.147 -16.733
    6    H    GLY   0           H        GLY   0   1.757 -25.771 -17.759
    7    HA2  GLY   0           2HA      GLY   0   2.753 -23.819 -15.870
    8    HA3  GLY   0           1HA      GLY   0   3.194 -23.493 -17.540
    9    H    SER   1           H        SER   1   1.112 -22.588 -15.294
   10    HA   SER   1           HA       SER   1  -0.817 -21.537 -17.130
   11    HB2  SER   1           1HB      SER   1  -2.743 -22.786 -15.952
   12    HB3  SER   1           2HB      SER   1  -1.804 -23.684 -17.145
   13    HG   SER   1           HG       SER   1  -0.598 -23.947 -14.787
   14    H    SER   2           H        SER   2   0.865 -20.342 -15.255
   15    HA   SER   2           HA       SER   2  -0.714 -19.770 -12.889
   16    HB2  SER   2           1HB      SER   2   1.938 -18.606 -13.772
   17    HB3  SER   2           2HB      SER   2   1.200 -18.431 -12.178
   18    HG   SER   2           HG       SER   2   1.782 -20.403 -11.666
   19    H    ARG   3           H        ARG   3  -1.823 -19.028 -15.450
   20    HA   ARG   3           HA       ARG   3  -1.732 -16.105 -15.434
   21    HB2  ARG   3           1HB      ARG   3  -3.225 -18.025 -17.231
   22    HB3  ARG   3           2HB      ARG   3  -3.248 -16.275 -17.390
   23    HG2  ARG   3           1HG      ARG   3  -0.843 -16.286 -17.832
   24    HG3  ARG   3           2HG      ARG   3  -0.829 -18.044 -17.676
   25    HD2  ARG   3           1HD      ARG   3  -2.403 -16.479 -19.721
   26    HD3  ARG   3           2HD      ARG   3  -0.879 -17.310 -20.024
   27    HE   ARG   3           HE       ARG   3  -1.979 -19.365 -19.897
   28   HH11  ARG   3          2HH1      ARG   3  -4.204 -16.683 -19.432
   29   HH12  ARG   3          1HH1      ARG   3  -5.627 -17.675 -19.590
   30   HH21  ARG   3          2HH2      ARG   3  -3.851 -20.659 -20.123
   31   HH22  ARG   3          1HH2      ARG   3  -5.428 -19.932 -19.962
   32    H    HIS   4           H        HIS   4  -3.112 -15.003 -14.214
   33    HA   HIS   4           HA       HIS   4  -5.850 -15.762 -13.971
   34    HB2  HIS   4           1HB      HIS   4  -5.770 -15.873 -11.413
   35    HB3  HIS   4           2HB      HIS   4  -5.221 -17.290 -12.297
   36    HD1  HIS   4           HD1      HIS   4  -3.398 -14.149 -11.103
   37    HD2  HIS   4           HD2      HIS   4  -3.090 -18.293 -10.991
   38    HE1  HIS   4           HE1      HIS   4  -1.297 -14.638  -9.810
   39    HE2  HIS   4           HE2      HIS   4  -1.132 -17.146  -9.732
   40    H    GLN   5           H        GLN   5  -7.058 -14.021 -13.697
   41    HA   GLN   5           HA       GLN   5  -5.821 -11.445 -13.236
   42    HB2  GLN   5           1HB      GLN   5  -7.902 -12.102 -14.743
   43    HB3  GLN   5           2HB      GLN   5  -8.786 -11.882 -13.243
   44    HG2  GLN   5           1HG      GLN   5  -7.104  -9.809 -14.636
   45    HG3  GLN   5           2HG      GLN   5  -8.862  -9.891 -14.622
   46   HE21  GLN   5          1HE2      GLN   5  -9.980  -9.276 -12.801
   47   HE22  GLN   5          2HE2      GLN   5  -9.238  -8.395 -11.508
   48    H    PHE   6           H        PHE   6  -8.105 -13.614 -11.598
   49    HA   PHE   6           HA       PHE   6  -8.793 -13.749  -9.434
   50    HB2  PHE   6           1HB      PHE   6  -6.411 -14.296  -9.128
   51    HB3  PHE   6           2HB      PHE   6  -6.029 -12.590  -8.953
   52    HD1  PHE   6           HD2      PHE   6  -8.718 -14.699  -7.438
   53    HD2  PHE   6           HD1      PHE   6  -5.293 -12.244  -6.822
   54    HE1  PHE   6           HE2      PHE   6  -9.037 -14.870  -5.003
   55    HE2  PHE   6           HE1      PHE   6  -5.611 -12.411  -4.386
   56    HZ   PHE   6           HZ       PHE   6  -7.485 -13.723  -3.475
   57    H    ASP   7           H        ASP   7  -6.991 -11.190  -8.140
   58    HA   ASP   7           HA       ASP   7  -8.959  -9.150  -8.776
   59    HB2  ASP   7           1HB      ASP   7  -8.358 -10.121  -5.995
   60    HB3  ASP   7           2HB      ASP   7  -8.781  -8.434  -6.265
   61    H    LEU   8           H        LEU   8  -6.453  -9.544  -9.797
   62    HA   LEU   8           HA       LEU   8  -4.452  -8.158  -8.328
   63    HB2  LEU   8           1HB      LEU   8  -4.518  -8.995 -11.208
   64    HB3  LEU   8           2HB      LEU   8  -3.100  -8.437 -10.339
   65    HG   LEU   8           HG       LEU   8  -4.389 -11.072 -10.349
   66   HD11  LEU   8          1HD1      LEU   8  -2.072 -11.694  -9.699
   67   HD12  LEU   8          2HD1      LEU   8  -2.215 -10.804 -11.217
   68   HD13  LEU   8          3HD1      LEU   8  -1.679  -9.974  -9.757
   69   HD21  LEU   8          3HD2      LEU   8  -4.998 -10.386  -8.080
   70   HD22  LEU   8          1HD2      LEU   8  -3.766 -11.648  -8.072
   71   HD23  LEU   8          2HD2      LEU   8  -3.314  -9.973  -7.753
   72    H    ILE   9           H        ILE   9  -6.503  -6.395  -8.437
   73    HA   ILE   9           HA       ILE   9  -5.898  -4.481 -10.530
   74    HB   ILE   9           HB       ILE   9  -8.004  -4.364  -8.345
   75   HG12  ILE   9          1HG1      ILE   9  -9.561  -4.458 -10.325
   76   HG13  ILE   9          2HG1      ILE   9  -8.169  -4.808 -11.334
   77   HG21  ILE   9          1HG2      ILE   9  -8.601  -2.507 -10.363
   78   HG22  ILE   9          2HG2      ILE   9  -8.132  -2.166  -8.698
   79   HG23  ILE   9          3HG2      ILE   9  -6.901  -2.254  -9.961
   80   HD11  ILE   9          3HD1      ILE   9  -8.847  -6.917 -10.994
   81   HD12  ILE   9          1HD1      ILE   9  -7.888  -6.744  -9.522
   82   HD13  ILE   9          2HD1      ILE   9  -9.641  -6.537  -9.462
   83    H    MET  10           H        MET  10  -3.827  -5.127  -9.051
   84    HA   MET  10           HA       MET  10  -3.294  -2.589  -7.710
   85    HB2  MET  10           1HB      MET  10  -1.488  -4.100  -6.440
   86    HB3  MET  10           2HB      MET  10  -3.075  -3.737  -5.790
   87    HG2  MET  10           1HG      MET  10  -3.894  -5.884  -6.677
   88    HG3  MET  10           2HG      MET  10  -2.259  -6.245  -7.234
   89    HE1  MET  10           3HE      MET  10  -3.975  -4.659  -4.325
   90    HE2  MET  10           1HE      MET  10  -3.453  -5.533  -2.886
   91    HE3  MET  10           2HE      MET  10  -2.381  -4.347  -3.636
   92    H    CYS  11           H        CYS  11  -1.410  -1.689  -8.076
   93    HA   CYS  11           HA       CYS  11  -0.375  -1.871 -10.599
   94    HB2  CYS  11           1HB      CYS  11  -0.310   0.075  -9.120
   95    HB3  CYS  11           2HB      CYS  11   0.857  -0.732  -8.087
   96    H    LEU  12           H        LEU  12   1.097  -2.980  -7.589
   97    HA   LEU  12           HA       LEU  12   2.807  -4.355  -7.078
   98    HB2  LEU  12           1HB      LEU  12   1.515  -5.878  -9.322
   99    HB3  LEU  12           2HB      LEU  12   2.612  -6.567  -8.139
  100    HG   LEU  12           HG       LEU  12  -0.146  -5.461  -7.657
  101   HD11  LEU  12          1HD1      LEU  12   0.391  -8.012  -6.527
  102   HD12  LEU  12          2HD1      LEU  12  -0.776  -7.572  -7.773
  103   HD13  LEU  12          3HD1      LEU  12   0.868  -8.021  -8.224
  104   HD21  LEU  12          3HD2      LEU  12   1.562  -6.588  -5.479
  105   HD22  LEU  12          1HD2      LEU  12   1.696  -4.884  -5.910
  106   HD23  LEU  12          2HD2      LEU  12   0.149  -5.536  -5.369
  107    H    LYS  13           H        LYS  13   3.831  -2.353  -8.766
  108    HA   LYS  13           HA       LYS  13   5.734  -3.721 -10.489
  109    HB2  LYS  13           1HB      LYS  13   5.443  -0.846  -9.635
  110    HB3  LYS  13           2HB      LYS  13   6.807  -1.424 -10.575
  111    HG2  LYS  13           1HG      LYS  13   5.100  -2.244 -12.261
  112    HG3  LYS  13           2HG      LYS  13   3.936  -1.248 -11.376
  113    HD2  LYS  13           1HD      LYS  13   5.624   0.633 -11.611
  114    HD3  LYS  13           2HD      LYS  13   6.411  -0.387 -12.819
  115    HE2  LYS  13           1HE      LYS  13   3.500   0.286 -12.931
  116    HE3  LYS  13           2HE      LYS  13   4.734   1.316 -13.621
  117    HZ1  LYS  13           3HZ      LYS  13   5.303  -0.268 -15.201
  118    HZ2  LYS  13           1HZ      LYS  13   3.611  -0.400 -15.128
  119    HZ3  LYS  13           2HZ      LYS  13   4.586  -1.540 -14.338
  120    H    GLN  14           H        GLN  14   8.004  -2.147  -9.768
  121    HA   GLN  14           HA       GLN  14   8.837  -3.570  -7.363
  122    HB2  GLN  14           1HB      GLN  14  10.276  -3.448  -9.429
  123    HB3  GLN  14           2HB      GLN  14  10.467  -1.732  -9.134
  124    HG2  GLN  14           1HG      GLN  14  11.162  -3.644  -6.965
  125    HG3  GLN  14           2HG      GLN  14  12.245  -3.503  -8.340
  126   HE21  GLN  14          1HE2      GLN  14  11.079  -0.498  -8.209
  127   HE22  GLN  14          2HE2      GLN  14  12.191   0.220  -7.100
  128    HA   PRO  15           HA       PRO  15   7.536  -0.145  -4.871
  129    HB2  PRO  15           1HB      PRO  15   9.426  -1.313  -2.911
  130    HB3  PRO  15           2HB      PRO  15   7.709  -0.943  -2.734
  131    HG2  PRO  15           1HG      PRO  15   8.537  -3.463  -3.001
  132    HG3  PRO  15           2HG      PRO  15   7.038  -2.905  -3.768
  133    HD2  PRO  15           1HD      PRO  15   9.721  -3.411  -4.984
  134    HD3  PRO  15           2HD      PRO  15   8.104  -3.728  -5.643
  135    H    GLY  16           H        GLY  16   8.242   1.870  -4.679
  136    HA2  GLY  16           2HA      GLY  16  11.037   2.459  -5.227
  137    HA3  GLY  16           1HA      GLY  16   9.725   3.624  -5.105
  138    H    VAL  17           H        VAL  17  10.714   5.009  -3.708
  139    HA   VAL  17           HA       VAL  17  11.707   3.926  -1.177
  140    HB   VAL  17           HB       VAL  17  13.131   5.478  -2.497
  141   HG11  VAL  17          1HG1      VAL  17  10.774   7.214  -2.217
  142   HG12  VAL  17          2HG1      VAL  17  12.332   7.995  -1.949
  143   HG13  VAL  17          3HG1      VAL  17  12.012   7.165  -3.472
  144   HG21  VAL  17          3HG2      VAL  17  12.926   7.158  -0.203
  145   HG22  VAL  17          1HG2      VAL  17  12.632   5.486   0.276
  146   HG23  VAL  17          2HG2      VAL  17  14.120   5.913  -0.570
  147    H    GLN  18           H        GLN  18   9.148   5.918  -2.445
  148    HA   GLN  18           HA       GLN  18   8.442   7.066   0.070
  149    HB2  GLN  18           1HB      GLN  18   6.965   7.009  -2.561
  150    HB3  GLN  18           2HB      GLN  18   6.479   7.958  -1.160
  151    HG2  GLN  18           1HG      GLN  18   8.547   9.210  -1.251
  152    HG3  GLN  18           2HG      GLN  18   9.109   8.223  -2.599
  153   HE21  GLN  18          1HE2      GLN  18   8.893   9.111  -4.501
  154   HE22  GLN  18          2HE2      GLN  18   7.698  10.274  -4.964
  155    H    THR  19           H        THR  19   6.946   6.523   1.506
  156    HA   THR  19           HA       THR  19   5.990   3.830   1.545
  157    HB   THR  19           HB       THR  19   5.230   6.061   3.433
  158    HG1  THR  19           HG1      THR  19   7.633   4.631   3.107
  159   HG21  THR  19          1HG2      THR  19   5.419   3.940   4.988
  160   HG22  THR  19          2HG2      THR  19   5.116   3.085   3.476
  161   HG23  THR  19          3HG2      THR  19   3.948   4.266   4.069
  162    H    GLY  20           H        GLY  20   3.890   3.070   1.422
  163    HA2  GLY  20           2HA      GLY  20   2.014   4.702  -0.078
  164    HA3  GLY  20           1HA      GLY  20   1.802   3.018   0.378
  165    H    LEU  21           H        LEU  21   0.595   5.997   0.831
  166    HA   LEU  21           HA       LEU  21   0.023   5.766   3.663
  167    HB2  LEU  21           1HB      LEU  21  -0.546   7.878   1.603
  168    HB3  LEU  21           2HB      LEU  21  -1.215   7.943   3.223
  169    HG   LEU  21           HG       LEU  21   1.742   7.859   2.629
  170   HD11  LEU  21          1HD1      LEU  21   1.367   9.964   1.912
  171   HD12  LEU  21          2HD1      LEU  21  -0.203  10.065   2.712
  172   HD13  LEU  21          3HD1      LEU  21   1.275  10.311   3.639
  173   HD21  LEU  21          3HD2      LEU  21   0.449   7.210   4.933
  174   HD22  LEU  21          1HD2      LEU  21   2.086   7.859   4.847
  175   HD23  LEU  21          2HD2      LEU  21   0.725   8.938   5.157
  176    H    LEU  22           H        LEU  22  -1.986   5.614   4.568
  177    HA   LEU  22           HA       LEU  22  -4.184   4.740   2.808
  178    HB2  LEU  22           1HB      LEU  22  -3.652   4.143   5.721
  179    HB3  LEU  22           2HB      LEU  22  -5.128   3.706   4.880
  180    HG   LEU  22           HG       LEU  22  -2.367   2.673   4.286
  181   HD11  LEU  22          1HD1      LEU  22  -3.927   1.925   6.330
  182   HD12  LEU  22          2HD1      LEU  22  -4.601   0.905   5.057
  183   HD13  LEU  22          3HD1      LEU  22  -2.885   0.803   5.452
  184   HD21  LEU  22          3HD2      LEU  22  -4.905   2.589   2.800
  185   HD22  LEU  22          1HD2      LEU  22  -3.243   2.495   2.220
  186   HD23  LEU  22          2HD2      LEU  22  -4.017   1.071   2.917
  187    H    CYS  23           H        CYS  23  -5.960   5.961   2.765
  188    HA   CYS  23           HA       CYS  23  -6.148   8.383   4.296
  189    HB2  CYS  23           1HB      CYS  23  -8.087   8.869   3.062
  190    HB3  CYS  23           2HB      CYS  23  -7.094   7.965   1.926
  191    H    GLU  24           H        GLU  24  -8.047   8.798   5.713
  192    HA   GLU  24           HA       GLU  24  -8.063   6.986   7.813
  193    HB2  GLU  24           1HB      GLU  24 -10.021   9.187   7.188
  194    HB3  GLU  24           2HB      GLU  24  -9.905   8.358   8.737
  195    HG2  GLU  24           1HG      GLU  24  -7.569   9.117   8.930
  196    HG3  GLU  24           2HG      GLU  24  -7.762  10.016   7.426
  197    H    LYS  25           H        LYS  25 -10.078   7.070   5.000
  198    HA   LYS  25           HA       LYS  25 -12.183   5.460   6.070
  199    HB2  LYS  25           1HB      LYS  25 -11.420   6.039   3.206
  200    HB3  LYS  25           2HB      LYS  25 -12.907   5.251   3.718
  201    HG2  LYS  25           1HG      LYS  25 -12.077   8.039   4.488
  202    HG3  LYS  25           2HG      LYS  25 -13.213   7.635   3.202
  203    HD2  LYS  25           1HD      LYS  25 -14.658   6.529   4.873
  204    HD3  LYS  25           2HD      LYS  25 -13.535   7.024   6.141
  205    HE2  LYS  25           1HE      LYS  25 -15.386   8.562   6.082
  206    HE3  LYS  25           2HE      LYS  25 -13.935   9.385   5.513
  207    HZ1  LYS  25           3HZ      LYS  25 -14.684   9.352   3.323
  208    HZ2  LYS  25           1HZ      LYS  25 -16.082   9.715   4.212
  209    HZ3  LYS  25           2HZ      LYS  25 -15.837   8.144   3.619
  210    H    CYS  26           H        CYS  26  -9.106   4.774   4.531
  211    HA   CYS  26           HA       CYS  26  -9.778   1.902   4.635
  212    HB2  CYS  26           1HB      CYS  26  -7.435   2.997   3.088
  213    HB3  CYS  26           2HB      CYS  26  -8.218   1.433   2.924
  214    H    ASP  27           H        ASP  27  -8.877   3.789   6.739
  215    HA   ASP  27           HA       ASP  27  -6.133   3.478   7.226
  216    HB2  ASP  27           1HB      ASP  27  -7.507   5.287   8.202
  217    HB3  ASP  27           2HB      ASP  27  -8.318   4.105   9.222
  218    H    GLY  28           H        GLY  28  -5.003   1.877   7.970
  219    HA2  GLY  28           2HA      GLY  28  -4.363   0.111   9.310
  220    HA3  GLY  28           1HA      GLY  28  -5.931   0.184  10.093
  221    H    LYS  29           H        LYS  29  -6.016  -0.094   6.684
  222    HA   LYS  29           HA       LYS  29  -6.760  -2.923   6.970
  223    HB2  LYS  29           1HB      LYS  29  -7.330  -0.969   4.734
  224    HB3  LYS  29           2HB      LYS  29  -7.869  -2.637   4.783
  225    HG2  LYS  29           1HG      LYS  29  -9.250  -2.199   6.684
  226    HG3  LYS  29           2HG      LYS  29  -8.650  -0.540   6.773
  227    HD2  LYS  29           1HD      LYS  29  -9.643  -0.000   4.667
  228    HD3  LYS  29           2HD      LYS  29 -10.069  -1.687   4.377
  229    HE2  LYS  29           1HE      LYS  29 -11.076  -0.235   6.771
  230    HE3  LYS  29           2HE      LYS  29 -11.886  -0.064   5.217
  231    HZ1  LYS  29           3HZ      LYS  29 -12.627  -1.900   6.887
  232    HZ2  LYS  29           1HZ      LYS  29 -11.308  -2.756   6.256
  233    HZ3  LYS  29           2HZ      LYS  29 -12.558  -2.249   5.233
  234    H    CYS  30           H        CYS  30  -5.596  -4.494   5.979
  235    HA   CYS  30           HA       CYS  30  -3.106  -3.869   4.691
  236    HB2  CYS  30           1HB      CYS  30  -3.209  -5.919   5.914
  237    HB3  CYS  30           2HB      CYS  30  -4.667  -6.430   5.077
  238    HA   PRO  31           HA       PRO  31  -5.111  -2.813   0.859
  239    HB2  PRO  31           1HB      PRO  31  -2.766  -2.854  -0.646
  240    HB3  PRO  31           2HB      PRO  31  -3.397  -1.463   0.239
  241    HG2  PRO  31           1HG      PRO  31  -1.283  -3.416   1.030
  242    HG3  PRO  31           2HG      PRO  31  -1.369  -1.669   1.323
  243    HD2  PRO  31           1HD      PRO  31  -1.904  -3.430   3.264
  244    HD3  PRO  31           2HD      PRO  31  -2.818  -1.913   3.119
  245    H    ILE  32           H        ILE  32  -2.870  -5.490   1.143
  246    HA   ILE  32           HA       ILE  32  -3.319  -6.644  -1.369
  247    HB   ILE  32           HB       ILE  32  -2.458  -8.019   1.175
  248   HG12  ILE  32          1HG1      ILE  32  -1.068  -6.026   0.364
  249   HG13  ILE  32          2HG1      ILE  32  -0.213  -7.545   0.597
  250   HG21  ILE  32          1HG2      ILE  32  -3.198  -9.606  -0.494
  251   HG22  ILE  32          2HG2      ILE  32  -2.169  -8.847  -1.708
  252   HG23  ILE  32          3HG2      ILE  32  -1.442  -9.675  -0.330
  253   HD11  ILE  32          3HD1      ILE  32  -1.260  -7.005  -2.111
  254   HD12  ILE  32          1HD1      ILE  32   0.099  -6.025  -1.558
  255   HD13  ILE  32          2HD1      ILE  32   0.238  -7.785  -1.601
  256    H    CYS  33           H        CYS  33  -4.806  -7.398   1.790
  257    HA   CYS  33           HA       CYS  33  -6.686  -9.136   0.339
  258    HB2  CYS  33           1HB      CYS  33  -6.730 -10.576   2.293
  259    HB3  CYS  33           2HB      CYS  33  -5.068 -10.335   1.767
  260    H    ASP  34           H        ASP  34  -6.552  -6.303   2.086
  261    HA   ASP  34           HA       ASP  34  -8.060  -4.960   3.119
  262    HB2  ASP  34           1HB      ASP  34  -9.421  -5.479   1.066
  263    HB3  ASP  34           2HB      ASP  34 -10.199  -6.767   1.976
  264    H    SER  35           H        SER  35  -7.127  -5.883   5.061
  265    HA   SER  35           HA       SER  35  -9.114  -6.927   6.846
  266    HB2  SER  35           1HB      SER  35  -8.354  -8.980   5.647
  267    HB3  SER  35           2HB      SER  35  -6.710  -8.657   6.195
  268    HG   SER  35           HG       SER  35  -8.177 -10.149   7.461
  269    H    TYR  36           H        TYR  36  -8.497  -6.743   9.020
  270    HA   TYR  36           HA       TYR  36  -6.257  -4.932   9.471
  271    HB2  TYR  36           1HB      TYR  36  -8.521  -5.869  11.235
  272    HB3  TYR  36           2HB      TYR  36  -7.202  -4.872  11.832
  273    HD1  TYR  36           HD2      TYR  36  -9.558  -4.846   8.918
  274    HD2  TYR  36           HD1      TYR  36  -7.678  -2.645  12.031
  275    HE1  TYR  36           HE2      TYR  36 -10.765  -2.829   8.211
  276    HE2  TYR  36           HE1      TYR  36  -8.886  -0.619  11.338
  277    HH   TYR  36           HH       TYR  36 -10.181   0.304   9.765
  278    H    VAL  37           H        VAL  37  -5.431  -7.492   8.771
  279    HA   VAL  37           HA       VAL  37  -4.798  -9.032  11.106
  280    HB   VAL  37           HB       VAL  37  -3.892  -9.209   8.236
  281   HG11  VAL  37          1HG1      VAL  37  -2.903 -10.739  10.617
  282   HG12  VAL  37          2HG1      VAL  37  -2.938 -11.471   9.013
  283   HG13  VAL  37          3HG1      VAL  37  -1.978 -10.020   9.299
  284   HG21  VAL  37          3HG2      VAL  37  -4.994 -11.539   8.751
  285   HG22  VAL  37          1HG2      VAL  37  -5.814 -10.598   9.997
  286   HG23  VAL  37          2HG2      VAL  37  -5.962 -10.134   8.301
  287    H    ARG  38           H        ARG  38  -2.828  -9.321  12.053
  288    HA   ARG  38           HA       ARG  38  -1.344  -7.301  12.946
  289    HB2  ARG  38           1HB      ARG  38  -0.556 -10.113  12.261
  290    HB3  ARG  38           2HB      ARG  38   0.579  -9.018  13.009
  291    HG2  ARG  38           1HG      ARG  38  -2.089  -9.782  14.159
  292    HG3  ARG  38           2HG      ARG  38  -0.544 -10.492  14.624
  293    HD2  ARG  38           1HD      ARG  38  -0.992  -8.865  16.265
  294    HD3  ARG  38           2HD      ARG  38   0.202  -8.129  15.198
  295    HE   ARG  38           HE       ARG  38  -2.487  -7.496  14.437
  296   HH11  ARG  38          2HH1      ARG  38   0.154  -6.608  16.559
  297   HH12  ARG  38          1HH1      ARG  38  -0.454  -5.003  16.852
  298   HH21  ARG  38          2HH2      ARG  38  -3.261  -5.390  14.770
  299   HH22  ARG  38          1HH2      ARG  38  -2.399  -4.303  15.825
  300    HA   PRO  39           HA       PRO  39   0.713  -5.697   9.295
  301    HB2  PRO  39           1HB      PRO  39   1.983  -3.660  10.535
  302    HB3  PRO  39           2HB      PRO  39   0.264  -3.606  10.125
  303    HG2  PRO  39           1HG      PRO  39   1.564  -4.212  12.749
  304    HG3  PRO  39           2HG      PRO  39   0.132  -3.222  12.413
  305    HD2  PRO  39           1HD      PRO  39  -0.019  -5.776  13.325
  306    HD3  PRO  39           2HD      PRO  39  -1.254  -5.051  12.276
  307    H    LYS  40           H        LYS  40   2.722  -5.922   8.424
  308    HA   LYS  40           HA       LYS  40   4.936  -6.649  10.219
  309    HB2  LYS  40           1HB      LYS  40   4.035  -8.112   7.749
  310    HB3  LYS  40           2HB      LYS  40   5.674  -8.254   8.362
  311    HG2  LYS  40           1HG      LYS  40   3.177  -8.955   9.892
  312    HG3  LYS  40           2HG      LYS  40   4.240 -10.103   9.074
  313    HD2  LYS  40           1HD      LYS  40   4.963  -8.301  11.384
  314    HD3  LYS  40           2HD      LYS  40   4.752 -10.052  11.433
  315    HE2  LYS  40           1HE      LYS  40   6.837  -8.629   9.787
  316    HE3  LYS  40           2HE      LYS  40   7.131  -9.331  11.377
  317    HZ1  LYS  40           3HZ      LYS  40   6.487 -10.720   8.847
  318    HZ2  LYS  40           1HZ      LYS  40   6.279 -11.475  10.351
  319    HZ3  LYS  40           2HZ      LYS  40   7.818 -10.951   9.870
  320    H    ARG  41           H        ARG  41   4.706  -6.524   6.689
  321    HA   ARG  41           HA       ARG  41   7.042  -4.820   6.631
  322    HB2  ARG  41           1HB      ARG  41   5.413  -6.149   4.470
  323    HB3  ARG  41           2HB      ARG  41   6.747  -5.062   4.119
  324    HG2  ARG  41           1HG      ARG  41   6.976  -7.601   5.720
  325    HG3  ARG  41           2HG      ARG  41   7.372  -7.440   4.008
  326    HD2  ARG  41           1HD      ARG  41   8.704  -6.071   6.339
  327    HD3  ARG  41           2HD      ARG  41   9.403  -7.284   5.267
  328    HE   ARG  41           HE       ARG  41   8.541  -5.007   3.801
  329   HH11  ARG  41          2HH1      ARG  41  11.137  -6.221   5.802
  330   HH12  ARG  41          1HH1      ARG  41  12.292  -5.045   5.241
  331   HH21  ARG  41          2HH2      ARG  41  10.013  -3.459   3.067
  332   HH22  ARG  41          1HH2      ARG  41  11.646  -3.447   3.684
  333    H    LYS  42           H        LYS  42   7.097  -2.708   6.224
  334    HA   LYS  42           HA       LYS  42   4.646  -1.219   6.085
  335    HB2  LYS  42           1HB      LYS  42   6.699  -0.342   7.196
  336    HB3  LYS  42           2HB      LYS  42   7.481  -0.261   5.621
  337    HG2  LYS  42           1HG      LYS  42   5.784   1.335   4.868
  338    HG3  LYS  42           2HG      LYS  42   5.019   1.262   6.454
  339    HD2  LYS  42           1HD      LYS  42   7.880   2.095   6.025
  340    HD3  LYS  42           2HD      LYS  42   6.532   3.232   6.080
  341    HE2  LYS  42           1HE      LYS  42   5.970   2.345   8.339
  342    HE3  LYS  42           2HE      LYS  42   7.442   1.377   8.272
  343    HZ1  LYS  42           3HZ      LYS  42   7.116   4.247   8.652
  344    HZ2  LYS  42           1HZ      LYS  42   8.443   3.754   7.718
  345    HZ3  LYS  42           2HZ      LYS  42   8.271   3.191   9.307
  346    H    VAL  43           H        VAL  43   3.619  -0.480   4.394
  347    HA   VAL  43           HA       VAL  43   4.174  -1.578   1.844
  348    HB   VAL  43           HB       VAL  43   2.136   0.369   2.882
  349   HG11  VAL  43          1HG1      VAL  43   2.396  -0.608   0.051
  350   HG12  VAL  43          2HG1      VAL  43   1.069   0.352   0.703
  351   HG13  VAL  43          3HG1      VAL  43   2.690   1.039   0.607
  352   HG21  VAL  43          3HG2      VAL  43   2.137  -2.493   1.992
  353   HG22  VAL  43          1HG2      VAL  43   1.578  -1.804   3.515
  354   HG23  VAL  43          2HG2      VAL  43   0.645  -1.554   2.039
  355    H    ARG  44           H        ARG  44   5.279  -0.772   0.195
  356    HA   ARG  44           HA       ARG  44   5.868   2.109   0.173
  357    HB2  ARG  44           1HB      ARG  44   7.669  -0.103  -0.837
  358    HB3  ARG  44           2HB      ARG  44   8.004   1.620  -0.926
  359    HG2  ARG  44           1HG      ARG  44   8.259   1.785   1.417
  360    HG3  ARG  44           2HG      ARG  44   7.605   0.163   1.673
  361    HD2  ARG  44           1HD      ARG  44  10.200   0.885   0.318
  362    HD3  ARG  44           2HD      ARG  44  10.007   0.107   1.888
  363    HE   ARG  44           HE       ARG  44   8.703  -1.499   0.037
  364   HH11  ARG  44          2HH1      ARG  44  11.959  -0.371   0.652
  365   HH12  ARG  44          1HH1      ARG  44  12.720  -1.773  -0.045
  366   HH21  ARG  44          2HH2      ARG  44   9.695  -3.337  -0.901
  367   HH22  ARG  44          1HH2      ARG  44  11.429  -3.452  -0.958
  368    H    VAL  45           H        VAL  45   5.273   3.129  -1.648
  369    HA   VAL  45           HA       VAL  45   3.926   1.591  -3.701
  370    HB   VAL  45           HB       VAL  45   3.464   3.822  -4.739
  371   HG11  VAL  45          1HG1      VAL  45   2.279   4.570  -2.371
  372   HG12  VAL  45          2HG1      VAL  45   1.617   3.438  -3.550
  373   HG13  VAL  45          3HG1      VAL  45   2.532   2.836  -2.169
  374   HG21  VAL  45          3HG2      VAL  45   5.048   4.758  -2.365
  375   HG22  VAL  45          1HG2      VAL  45   5.235   5.200  -4.063
  376   HG23  VAL  45          2HG2      VAL  45   3.850   5.790  -3.144
  377    H    CYS  46           H        CYS  46   4.583   1.420  -5.840
  378    HA   CYS  46           HA       CYS  46   7.362   1.350  -6.312
  379    HB2  CYS  46           1HB      CYS  46   6.858   0.553  -8.427
  380    HB3  CYS  46           2HB      CYS  46   5.381   0.147  -7.562
  381    H    GLU  47           H        GLU  47   8.729   2.816  -7.280
  382    HA   GLU  47           HA       GLU  47   8.145   5.497  -6.887
  383    HB2  GLU  47           1HB      GLU  47  10.432   4.250  -7.210
  384    HB3  GLU  47           2HB      GLU  47  10.234   4.747  -8.886
  385    HG2  GLU  47           1HG      GLU  47  11.562   6.379  -7.743
  386    HG3  GLU  47           2HG      GLU  47   9.994   7.088  -8.129
  387    H    ASN  48           H        ASN  48   7.395   3.502  -9.579
  388    HA   ASN  48           HA       ASN  48   7.136   5.439 -11.612
  389    HB2  ASN  48           1HB      ASN  48   5.520   2.913 -11.187
  390    HB3  ASN  48           2HB      ASN  48   5.597   3.840 -12.680
  391   HD21  ASN  48          1HD2      ASN  48   6.816   2.947 -14.142
  392   HD22  ASN  48          2HD2      ASN  48   8.262   2.029 -13.861
  393    H    CYS  49           H        CYS  49   5.130   4.573  -8.882
  394    HA   CYS  49           HA       CYS  49   2.915   6.229  -9.795
  395    HB2  CYS  49           1HB      CYS  49   3.345   4.510  -7.355
  396    HB3  CYS  49           2HB      CYS  49   1.973   5.603  -7.490
  397    H    SER  50           H        SER  50   5.520   6.289  -7.452
  398    HA   SER  50           HA       SER  50   4.417   8.585  -6.127
  399    HB2  SER  50           1HB      SER  50   6.456   8.267  -4.645
  400    HB3  SER  50           2HB      SER  50   5.316   6.923  -4.717
  401    HG   SER  50           HG       SER  50   7.927   7.107  -5.648
  402    H    PHE  51           H        PHE  51   6.866   8.098  -8.535
  403    HA   PHE  51           HA       PHE  51   8.642  10.102  -7.905
  404    HB2  PHE  51           1HB      PHE  51   9.565   9.864 -10.028
  405    HB3  PHE  51           2HB      PHE  51   8.768   8.320  -9.776
  406    HD1  PHE  51           HD2      PHE  51   8.698  11.481 -11.632
  407    HD2  PHE  51           HD1      PHE  51   6.871   7.674 -11.105
  408    HE1  PHE  51           HE2      PHE  51   7.515  11.760 -13.770
  409    HE2  PHE  51           HE1      PHE  51   5.686   7.946 -13.242
  410    HZ   PHE  51           HZ       PHE  51   6.004   9.990 -14.575
  411    H    GLY  52           H        GLY  52   5.526  10.432  -9.487
  412    HA2  GLY  52           2HA      GLY  52   5.388  13.187  -8.880
  413    HA3  GLY  52           1HA      GLY  52   5.827  12.981 -10.570
  414    H    LYS  53           H        LYS  53   3.395  13.974  -9.090
  415    HA   LYS  53           HA       LYS  53   1.187  14.146  -9.517
  416    HB2  LYS  53           1HB      LYS  53   1.692  13.980 -11.873
  417    HB3  LYS  53           2HB      LYS  53   1.774  12.226 -11.771
  418    HG2  LYS  53           1HG      LYS  53  -0.595  12.124 -11.248
  419    HG3  LYS  53           2HG      LYS  53  -0.693  13.884 -11.276
  420    HD2  LYS  53           1HD      LYS  53   0.064  12.135 -13.615
  421    HD3  LYS  53           2HD      LYS  53  -1.518  12.871 -13.353
  422    HE2  LYS  53           1HE      LYS  53  -0.358  15.100 -13.325
  423    HE3  LYS  53           2HE      LYS  53   1.099  14.265 -13.859
  424    HZ1  LYS  53           3HZ      LYS  53  -1.493  14.318 -15.313
  425    HZ2  LYS  53           1HZ      LYS  53  -0.087  13.524 -15.827
  426    HZ3  LYS  53           2HZ      LYS  53  -0.111  15.218 -15.717
  427    H    GLN  54           H        GLN  54  -0.441  13.377  -8.401
  428    HA   GLN  54           HA       GLN  54  -1.732  11.999  -7.121
  429    HB2  GLN  54           1HB      GLN  54  -0.789   9.867  -9.053
  430    HB3  GLN  54           2HB      GLN  54  -2.202   9.767  -8.009
  431    HG2  GLN  54           1HG      GLN  54  -3.410  11.256  -9.275
  432    HG3  GLN  54           2HG      GLN  54  -1.963  12.001  -9.954
  433   HE21  GLN  54          1HE2      GLN  54  -1.056   9.037 -10.281
  434   HE22  GLN  54          2HE2      GLN  54  -1.770   8.594 -11.794
  435    H    ALA  55           H        ALA  55   1.011  12.425  -6.393
  436    HA   ALA  55           HA       ALA  55   1.924   9.841  -5.424
  437    HB1  ALA  55           3HB      ALA  55   3.408  12.416  -5.121
  438    HB2  ALA  55           1HB      ALA  55   4.037  10.777  -5.301
  439    HB3  ALA  55           2HB      ALA  55   3.306  11.601  -6.682
  440    H    LYS  56           H        LYS  56  -0.359  11.013  -4.091
  441    HA   LYS  56           HA       LYS  56   0.724  10.912  -1.405
  442    HB2  LYS  56           1HB      LYS  56  -0.689  12.846  -0.676
  443    HB3  LYS  56           2HB      LYS  56   0.700  13.271  -1.648
  444    HG2  LYS  56           1HG      LYS  56  -2.012  12.952  -2.875
  445    HG3  LYS  56           2HG      LYS  56  -1.540  14.452  -2.079
  446    HD2  LYS  56           1HD      LYS  56  -0.149  13.149  -4.421
  447    HD3  LYS  56           2HD      LYS  56  -1.159  14.592  -4.478
  448    HE2  LYS  56           1HE      LYS  56   1.462  14.308  -3.010
  449    HE3  LYS  56           2HE      LYS  56   1.209  15.170  -4.523
  450    HZ1  LYS  56           3HZ      LYS  56  -0.420  15.958  -2.222
  451    HZ2  LYS  56           1HZ      LYS  56   0.207  16.902  -3.483
  452    HZ3  LYS  56           2HZ      LYS  56   1.216  16.400  -2.220
  453    H    ASN  57           H        ASN  57  -1.896  10.497  -3.611
  454    HA   ASN  57           HA       ASN  57  -3.977  10.140  -1.802
  455    HB2  ASN  57           1HB      ASN  57  -5.206   9.067  -3.568
  456    HB3  ASN  57           2HB      ASN  57  -4.280  10.395  -4.255
  457   HD21  ASN  57          1HD2      ASN  57  -3.075  10.001  -5.953
  458   HD22  ASN  57          2HD2      ASN  57  -2.660   8.429  -6.550
  459    H    CYS  58           H        CYS  58  -4.992   8.385  -0.985
  460    HA   CYS  58           HA       CYS  58  -3.381   6.429   0.228
  461    HB2  CYS  58           1HB      CYS  58  -5.233   7.063   1.440
  462    HB3  CYS  58           2HB      CYS  58  -6.286   7.058   0.036
  463    H    ILE  59           H        ILE  59  -2.859   4.478  -0.333
  464    HA   ILE  59           HA       ILE  59  -2.992   3.656  -2.969
  465    HB   ILE  59           HB       ILE  59  -2.061   1.482  -2.095
  466   HG12  ILE  59          1HG1      ILE  59  -2.394   2.958   0.529
  467   HG13  ILE  59          2HG1      ILE  59  -3.127   1.421   0.085
  468   HG21  ILE  59          1HG2      ILE  59  -0.215   3.165  -0.820
  469   HG22  ILE  59          2HG2      ILE  59  -0.203   2.634  -2.503
  470   HG23  ILE  59          3HG2      ILE  59  -0.995   4.147  -2.063
  471   HD11  ILE  59          3HD1      ILE  59  -1.420   0.420   1.051
  472   HD12  ILE  59          1HD1      ILE  59  -0.386   1.051  -0.229
  473   HD13  ILE  59          2HD1      ILE  59  -0.574   1.959   1.284
  474    H    ILE  60           H        ILE  60  -4.951   2.488  -0.241
  475    HA   ILE  60           HA       ILE  60  -5.969   0.262  -1.603
  476    HB   ILE  60           HB       ILE  60  -7.049   1.707   0.810
  477   HG12  ILE  60          1HG1      ILE  60  -5.439  -0.826   0.439
  478   HG13  ILE  60          2HG1      ILE  60  -4.877   0.686   1.147
  479   HG21  ILE  60          1HG2      ILE  60  -7.911  -1.006   0.669
  480   HG22  ILE  60          2HG2      ILE  60  -8.880   0.464   0.767
  481   HG23  ILE  60          3HG2      ILE  60  -8.398  -0.171  -0.807
  482   HD11  ILE  60          3HD1      ILE  60  -5.445  -1.191   2.743
  483   HD12  ILE  60          1HD1      ILE  60  -6.169   0.381   3.080
  484   HD13  ILE  60          2HD1      ILE  60  -7.134  -0.891   2.333
  485    H    CYS  61           H        CYS  61  -7.273   3.561  -1.380
  486    HA   CYS  61           HA       CYS  61  -9.473   2.647  -3.093
  487    HB2  CYS  61           1HB      CYS  61 -10.564   4.844  -2.620
  488    HB3  CYS  61           2HB      CYS  61 -10.368   3.807  -1.208
  489    H    ASN  62           H        ASN  62  -6.640   4.621  -3.009
  490    HA   ASN  62           HA       ASN  62  -5.514   5.811  -4.555
  491    HB2  ASN  62           1HB      ASN  62  -5.740   3.567  -5.716
  492    HB3  ASN  62           2HB      ASN  62  -7.105   4.248  -6.598
  493   HD21  ASN  62          1HD2      ASN  62  -6.752   5.877  -8.076
  494   HD22  ASN  62          2HD2      ASN  62  -5.193   6.161  -8.747
  495    H    LEU  63           H        LEU  63  -7.287   7.331  -3.522
  496    HA   LEU  63           HA       LEU  63  -8.376   8.980  -5.635
  497    HB2  LEU  63           1HB      LEU  63  -9.896   6.899  -4.992
  498    HB3  LEU  63           2HB      LEU  63 -10.365   7.942  -3.666
  499    HG   LEU  63           HG       LEU  63 -11.958   8.081  -5.498
  500   HD11  LEU  63          1HD1      LEU  63 -10.329  10.601  -5.235
  501   HD12  LEU  63          2HD1      LEU  63 -11.991  10.498  -5.817
  502   HD13  LEU  63          3HD1      LEU  63 -11.613  10.074  -4.147
  503   HD21  LEU  63          3HD2      LEU  63 -11.378   8.166  -7.638
  504   HD22  LEU  63          1HD2      LEU  63 -10.262   9.505  -7.367
  505   HD23  LEU  63          2HD2      LEU  63  -9.731   7.842  -7.098
  506    H    ASN  64           H        ASN  64  -8.840   8.265  -2.175
  507    HA   ASN  64           HA       ASN  64  -8.849  11.102  -1.525
  508    HB2  ASN  64           1HB      ASN  64  -9.128   8.640   0.218
  509    HB3  ASN  64           2HB      ASN  64  -9.260  10.298   0.799
  510   HD21  ASN  64          1HD2      ASN  64 -10.958   7.673  -0.282
  511   HD22  ASN  64          2HD2      ASN  64 -12.440   8.460  -0.716
  512    H    VAL  65           H        VAL  65  -7.240  12.137  -0.302
  513    HA   VAL  65           HA       VAL  65  -4.621  11.206  -0.730
  514    HB   VAL  65           HB       VAL  65  -5.190  13.598  -0.532
  515   HG11  VAL  65          1HG1      VAL  65  -4.976  14.007   2.218
  516   HG12  VAL  65          2HG1      VAL  65  -6.390  14.262   1.194
  517   HG13  VAL  65          3HG1      VAL  65  -6.155  12.713   1.999
  518   HG21  VAL  65          3HG2      VAL  65  -2.919  12.243   0.650
  519   HG22  VAL  65          1HG2      VAL  65  -2.966  13.705  -0.336
  520   HG23  VAL  65          2HG2      VAL  65  -3.208  13.809   1.409
  521    H    GLY  66           H        GLY  66  -3.140  10.203   0.535
  522    HA2  GLY  66           2HA      GLY  66  -4.174   8.473   2.535
  523    HA3  GLY  66           1HA      GLY  66  -2.498   8.605   2.042
  524    H    VAL  67           H        VAL  67  -3.608   8.248   4.697
  525    HA   VAL  67           HA       VAL  67  -2.669  10.732   5.973
  526    HB   VAL  67           HB       VAL  67  -4.633   8.709   7.060
  527   HG11  VAL  67          1HG1      VAL  67  -4.225  11.407   8.251
  528   HG12  VAL  67          2HG1      VAL  67  -4.770   9.906   9.001
  529   HG13  VAL  67          3HG1      VAL  67  -3.064  10.127   8.613
  530   HG21  VAL  67          3HG2      VAL  67  -5.175  10.488   5.118
  531   HG22  VAL  67          1HG2      VAL  67  -6.353   9.967   6.326
  532   HG23  VAL  67          2HG2      VAL  67  -5.478  11.485   6.543
  533    H    ASN  68           H        ASN  68  -3.095   7.268   6.755
  534    HA   ASN  68           HA       ASN  68  -0.509   7.388   8.178
  535    HB2  ASN  68           1HB      ASN  68  -2.851   5.534   8.651
  536    HB3  ASN  68           2HB      ASN  68  -1.325   5.482   9.521
  537   HD21  ASN  68          1HD2      ASN  68  -4.404   6.437   9.764
  538   HD22  ASN  68          2HD2      ASN  68  -4.235   7.767  10.870
  539    H    ASP  69           H        ASP  69   1.056   5.949   7.725
  540    HA   ASP  69           HA       ASP  69   1.171   4.730   5.189
  541    HB2  ASP  69           1HB      ASP  69   2.853   3.955   7.588
  542    HB3  ASP  69           2HB      ASP  69   3.289   3.840   5.887
  543    H    ALA  70           H        ALA  70   0.790   2.764   4.449
  544    HA   ALA  70           HA       ALA  70  -0.780   0.945   6.051
  545    HB1  ALA  70           3HB      ALA  70  -1.700   0.669   4.049
  546    HB2  ALA  70           1HB      ALA  70  -0.337   1.444   3.241
  547    HB3  ALA  70           2HB      ALA  70  -0.276  -0.280   3.616
  548    H    PHE  71           H        PHE  71  -0.349  -1.344   6.129
  549    HA   PHE  71           HA       PHE  71   2.445  -2.141   5.792
  550    HB2  PHE  71           1HB      PHE  71   0.875  -2.307   8.347
  551    HB3  PHE  71           2HB      PHE  71   2.062  -3.547   7.974
  552    HD1  PHE  71           HD1      PHE  71   1.795   0.178   8.105
  553    HD2  PHE  71           HD2      PHE  71   4.193  -3.280   8.760
  554    HE1  PHE  71           HE1      PHE  71   3.569   1.589   9.055
  555    HE2  PHE  71           HE2      PHE  71   5.966  -1.871   9.715
  556    HZ   PHE  71           HZ       PHE  71   5.656   0.566   9.867
  557    H    TYR  72           H        TYR  72   2.641  -4.132   4.937
  558    HA   TYR  72           HA       TYR  72   0.333  -5.586   4.061
  559    HB2  TYR  72           1HB      TYR  72   3.199  -6.562   4.224
  560    HB3  TYR  72           2HB      TYR  72   1.903  -7.278   3.278
  561    HD1  TYR  72           HD1      TYR  72   1.148  -6.213   1.200
  562    HD2  TYR  72           HD2      TYR  72   4.368  -4.600   3.461
  563    HE1  TYR  72           HE1      TYR  72   1.842  -4.882  -0.749
  564    HE2  TYR  72           HE2      TYR  72   5.063  -3.255   1.528
  565    HH   TYR  72           HH       TYR  72   3.489  -3.592  -1.619
  566    H    CYS  73           H        CYS  73  -0.789  -7.073   5.173
  567    HA   CYS  73           HA       CYS  73  -0.228  -7.439   7.914
  568    HB2  CYS  73           1HB      CYS  73  -2.281  -8.498   8.079
  569    HB3  CYS  73           2HB      CYS  73  -2.508  -7.467   6.671
  570    H    TRP  74           H        TRP  74  -0.047  -9.470   9.027
  571    HA   TRP  74           HA       TRP  74   2.225 -10.840   8.495
  572    HB2  TRP  74           1HB      TRP  74   1.187 -10.921  10.658
  573    HB3  TRP  74           2HB      TRP  74  -0.225 -11.745  10.011
  574    HD1  TRP  74           HD1      TRP  74   3.589 -12.544  10.079
  575    HE1  TRP  74           HE1      TRP  74   3.850 -15.025  10.714
  576    HE3  TRP  74           HE3      TRP  74  -1.350 -13.781  10.539
  577    HZ2  TRP  74           HZ2      TRP  74   2.181 -17.212  11.317
  578    HZ3  TRP  74           HZ3      TRP  74  -1.933 -16.092  11.144
  579    HH2  TRP  74           HH2      TRP  74  -0.200 -17.772  11.528
  580    H    GLU  75           H        GLU  75  -1.048 -12.031   7.762
  581    HA   GLU  75           HA       GLU  75  -0.279 -14.487   6.709
  582    HB2  GLU  75           1HB      GLU  75  -2.685 -12.855   5.891
  583    HB3  GLU  75           2HB      GLU  75  -2.486 -14.591   5.695
  584    HG2  GLU  75           1HG      GLU  75  -2.360 -14.818   8.149
  585    HG3  GLU  75           2HG      GLU  75  -2.677 -13.088   8.293
  586    H    CYS  76           H        CYS  76  -0.737 -11.388   5.051
  587    HA   CYS  76           HA       CYS  76  -0.218 -12.418   2.457
  588    HB2  CYS  76           1HB      CYS  76  -0.165  -9.617   3.563
  589    HB3  CYS  76           2HB      CYS  76   0.166  -9.983   1.873
  590    H    CYS  77           H        CYS  77   1.816 -11.107   5.002
  591    HA   CYS  77           HA       CYS  77   4.199 -10.970   3.437
  592    HB2  CYS  77           1HB      CYS  77   3.849 -11.198   6.436
  593    HB3  CYS  77           2HB      CYS  77   5.359 -10.810   5.614
  594    HG   CYS  77           HG       CYS  77   2.602  -8.886   6.040
  595    H    ARG  78           H        ARG  78   2.665 -13.408   5.428
  596    HA   ARG  78           HA       ARG  78   4.678 -15.386   5.379
  597    HB2  ARG  78           1HB      ARG  78   2.867 -15.630   6.908
  598    HB3  ARG  78           2HB      ARG  78   1.673 -15.478   5.630
  599    HG2  ARG  78           1HG      ARG  78   1.709 -17.741   6.288
  600    HG3  ARG  78           2HG      ARG  78   2.501 -17.655   4.716
  601    HD2  ARG  78           1HD      ARG  78   4.671 -17.792   5.754
  602    HD3  ARG  78           2HD      ARG  78   3.944 -17.727   7.360
  603    HE   ARG  78           HE       ARG  78   2.837 -19.894   5.958
  604   HH11  ARG  78          2HH1      ARG  78   5.872 -18.908   7.386
  605   HH12  ARG  78          1HH1      ARG  78   6.397 -20.530   7.725
  606   HH21  ARG  78          2HH2      ARG  78   3.521 -22.042   6.386
  607   HH22  ARG  78          1HH2      ARG  78   5.082 -22.314   7.116
  608    H    LEU  79           H        LEU  79   1.917 -14.750   3.246
  609    HA   LEU  79           HA       LEU  79   2.470 -16.834   1.394
  610    HB2  LEU  79           1HB      LEU  79   0.940 -14.255   1.022
  611    HB3  LEU  79           2HB      LEU  79   0.938 -15.597  -0.104
  612    HG   LEU  79           HG       LEU  79  -0.108 -15.707   2.727
  613   HD11  LEU  79          1HD1      LEU  79  -2.206 -15.323   1.945
  614   HD12  LEU  79          2HD1      LEU  79  -1.305 -14.376   0.761
  615   HD13  LEU  79          3HD1      LEU  79  -1.857 -16.002   0.355
  616   HD21  LEU  79          3HD2      LEU  79  -0.587 -17.911   2.420
  617   HD22  LEU  79          1HD2      LEU  79  -0.764 -17.741   0.674
  618   HD23  LEU  79          2HD2      LEU  79   0.845 -17.806   1.393
  619    H    GLY  80           H        GLY  80   3.625 -13.603   1.821
  620    HA2  GLY  80           2HA      GLY  80   5.552 -12.665   0.894
  621    HA3  GLY  80           1HA      GLY  80   5.608 -13.981  -0.270
  622    H    LYS  81           H        LYS  81   2.826 -11.934   0.426
  623    HA   LYS  81           HA       LYS  81   2.715 -11.197  -2.384
  624    HB2  LYS  81           1HB      LYS  81   0.780 -10.618  -0.135
  625    HB3  LYS  81           2HB      LYS  81   0.510 -10.245  -1.834
  626    HG2  LYS  81           1HG      LYS  81   0.898 -12.769  -2.210
  627    HG3  LYS  81           2HG      LYS  81   0.603 -12.909  -0.477
  628    HD2  LYS  81           1HD      LYS  81  -1.453 -13.285  -1.694
  629    HD3  LYS  81           2HD      LYS  81  -1.566 -11.775  -0.789
  630    HE2  LYS  81           1HE      LYS  81  -2.474 -11.586  -3.075
  631    HE3  LYS  81           2HE      LYS  81  -1.124 -10.493  -2.782
  632    HZ1  LYS  81           3HZ      LYS  81   0.118 -11.490  -4.332
  633    HZ2  LYS  81           1HZ      LYS  81  -1.340 -12.153  -4.892
  634    HZ3  LYS  81           2HZ      LYS  81  -0.348 -13.053  -3.859
  635    H    ASP  82           H        ASP  82   4.034 -10.031   0.433
  636    HA   ASP  82           HA       ASP  82   3.894  -7.204  -0.104
  637    HB2  ASP  82           1HB      ASP  82   5.664  -6.994   1.558
  638    HB3  ASP  82           2HB      ASP  82   4.426  -8.088   2.164
  639    H    LYS  83           H        LYS  83   5.641  -9.937  -1.185
  640    HA   LYS  83           HA       LYS  83   7.863  -8.575  -2.357
  641    HB2  LYS  83           1HB      LYS  83   6.752 -11.326  -2.932
  642    HB3  LYS  83           2HB      LYS  83   8.323 -10.726  -3.440
  643    HG2  LYS  83           1HG      LYS  83   9.052 -10.572  -1.145
  644    HG3  LYS  83           2HG      LYS  83   7.452 -11.052  -0.577
  645    HD2  LYS  83           1HD      LYS  83   8.930 -12.954  -0.487
  646    HD3  LYS  83           2HD      LYS  83   7.732 -13.214  -1.756
  647    HE2  LYS  83           1HE      LYS  83   9.395 -12.425  -3.417
  648    HE3  LYS  83           2HE      LYS  83  10.589 -12.322  -2.124
  649    HZ1  LYS  83           3HZ      LYS  83  10.713 -14.592  -1.929
  650    HZ2  LYS  83           1HZ      LYS  83  10.427 -14.444  -3.595
  651    HZ3  LYS  83           2HZ      LYS  83   9.156 -14.854  -2.551
  652    H    ASP  84           H        ASP  84   4.592  -9.206  -3.280
  653    HA   ASP  84           HA       ASP  84   4.795  -9.149  -6.079
  654    HB2  ASP  84           1HB      ASP  84   2.569  -8.263  -4.232
  655    HB3  ASP  84           2HB      ASP  84   2.417  -8.236  -5.983
  656    H    GLY  85           H        GLY  85   3.971  -6.481  -3.858
  657    HA2  GLY  85           2HA      GLY  85   5.707  -4.685  -4.110
  658    HA3  GLY  85           1HA      GLY  85   5.242  -4.662  -5.799
  659    H    CYS  86           H        CYS  86   4.446  -2.789  -6.095
  660    HA   CYS  86           HA       CYS  86   3.261  -1.029  -4.352
  661    HB2  CYS  86           1HB      CYS  86   4.276  -0.644  -6.617
  662    HB3  CYS  86           2HB      CYS  86   2.799  -1.258  -7.330
  663    HA   PRO  87           HA       PRO  87  -0.763  -3.068  -4.180
  664    HB2  PRO  87           1HB      PRO  87  -1.440  -2.323  -1.716
  665    HB3  PRO  87           2HB      PRO  87  -0.176  -3.528  -1.994
  666    HG2  PRO  87           1HG      PRO  87   0.078  -0.640  -1.295
  667    HG3  PRO  87           2HG      PRO  87   1.036  -2.019  -0.732
  668    HD2  PRO  87           1HD      PRO  87   1.775  -0.254  -2.756
  669    HD3  PRO  87           2HD      PRO  87   2.471  -1.864  -2.490
  670    H    ARG  88           H        ARG  88  -0.480  -0.511  -5.554
  671    HA   ARG  88           HA       ARG  88  -2.718   1.055  -4.539
  672    HB2  ARG  88           1HB      ARG  88  -0.664   1.483  -6.651
  673    HB3  ARG  88           2HB      ARG  88  -2.211   2.304  -6.820
  674    HG2  ARG  88           1HG      ARG  88  -1.839   3.104  -4.426
  675    HG3  ARG  88           2HG      ARG  88  -0.166   2.588  -4.653
  676    HD2  ARG  88           1HD      ARG  88   0.169   4.117  -6.415
  677    HD3  ARG  88           2HD      ARG  88  -1.559   4.435  -6.569
  678    HE   ARG  88           HE       ARG  88  -0.840   5.170  -3.996
  679   HH11  ARG  88          2HH1      ARG  88  -0.143   6.144  -7.275
  680   HH12  ARG  88          1HH1      ARG  88   0.208   7.793  -6.850
  681   HH21  ARG  88          2HH2      ARG  88  -0.440   7.354  -3.431
  682   HH22  ARG  88          1HH2      ARG  88   0.012   8.479  -4.673
  683    H    ILE  89           H        ILE  89  -4.710   0.945  -5.265
  684    HA   ILE  89           HA       ILE  89  -5.494  -1.148  -7.025
  685    HB   ILE  89           HB       ILE  89  -7.033   1.159  -5.841
  686   HG12  ILE  89          1HG1      ILE  89  -6.256  -0.526  -4.241
  687   HG13  ILE  89          2HG1      ILE  89  -8.004  -0.610  -4.421
  688   HG21  ILE  89          1HG2      ILE  89  -8.940  -0.640  -6.547
  689   HG22  ILE  89          2HG2      ILE  89  -8.514   0.789  -7.490
  690   HG23  ILE  89          3HG2      ILE  89  -7.819  -0.778  -7.903
  691   HD11  ILE  89          3HD1      ILE  89  -7.941  -2.697  -5.225
  692   HD12  ILE  89          1HD1      ILE  89  -6.502  -2.394  -6.198
  693   HD13  ILE  89          2HD1      ILE  89  -6.347  -2.742  -4.476
  694    H    LEU  90           H        LEU  90  -5.526  -1.165  -9.139
  695    HA   LEU  90           HA       LEU  90  -6.463   0.913 -10.773
  696    HB2  LEU  90           1HB      LEU  90  -4.223   1.330 -11.971
  697    HB3  LEU  90           2HB      LEU  90  -4.555   2.189 -10.482
  698    HG   LEU  90           HG       LEU  90  -3.180   0.362  -9.319
  699   HD11  LEU  90          1HD1      LEU  90  -2.899  -0.434 -12.115
  700   HD12  LEU  90          2HD1      LEU  90  -1.370  -0.281 -11.249
  701   HD13  LEU  90          3HD1      LEU  90  -2.630  -1.353 -10.632
  702   HD21  LEU  90          3HD2      LEU  90  -1.052   1.533 -10.587
  703   HD22  LEU  90          1HD2      LEU  90  -2.356   2.686 -10.865
  704   HD23  LEU  90          2HD2      LEU  90  -1.938   2.209  -9.219
  705    H    ASN  91           H        ASN  91  -4.537  -1.980 -10.488
  706    HA   ASN  91           HA       ASN  91  -4.246  -3.841 -11.726
  707    HB2  ASN  91           1HB      ASN  91  -6.795  -3.789 -11.829
  708    HB3  ASN  91           2HB      ASN  91  -6.613  -3.094 -13.432
  709   HD21  ASN  91          1HD2      ASN  91  -6.950  -5.881 -11.753
  710   HD22  ASN  91          2HD2      ASN  91  -6.371  -7.000 -12.921
  711    H    LEU  92           H        LEU  92  -2.445  -3.706 -12.776
  712    HA   LEU  92           HA       LEU  92  -0.866  -3.379 -14.300
  713    HB2  LEU  92           1HB      LEU  92  -1.368  -3.609 -16.605
  714    HB3  LEU  92           2HB      LEU  92  -2.435  -4.651 -15.693
  715    HG   LEU  92           HG       LEU  92  -4.054  -2.520 -15.998
  716   HD11  LEU  92          1HD1      LEU  92  -3.814  -1.785 -18.374
  717   HD12  LEU  92          2HD1      LEU  92  -2.562  -1.181 -17.287
  718   HD13  LEU  92          3HD1      LEU  92  -2.211  -2.522 -18.377
  719   HD21  LEU  92          3HD2      LEU  92  -3.804  -4.449 -18.263
  720   HD22  LEU  92          1HD2      LEU  92  -4.220  -5.031 -16.649
  721   HD23  LEU  92          2HD2      LEU  92  -5.250  -3.845 -17.452
  722    H    GLY  93           H        GLY  93  -3.367  -0.894 -14.569
  723    HA2  GLY  93           2HA      GLY  93  -1.839   1.213 -13.892
  724    HA3  GLY  93           1HA      GLY  93  -1.484   1.048 -15.605
  725    H    SER  94           H        SER  94  -4.644   0.088 -14.713
  726    HA   SER  94           HA       SER  94  -6.689   0.896 -15.247
  727    HB2  SER  94           1HB      SER  94  -5.419   3.507 -14.388
  728    HB3  SER  94           2HB      SER  94  -7.150   3.263 -14.636
  729    HG   SER  94           HG       SER  94  -6.544   1.341 -13.074
  730    H    ASN  95           H        ASN  95  -5.362   0.374 -17.445
  731    HA   ASN  95           HA       ASN  95  -6.354   2.366 -19.291
  732    HB2  ASN  95           1HB      ASN  95  -4.222   2.543 -20.550
  733    HB3  ASN  95           2HB      ASN  95  -4.120   3.235 -18.937
  734   HD21  ASN  95          1HD2      ASN  95  -2.373   2.755 -17.846
  735   HD22  ASN  95          2HD2      ASN  95  -1.363   1.371 -18.085
  736    H    ARG  96           H        ARG  96  -7.031  -0.274 -18.558
  737    HA   ARG  96           HA       ARG  96  -7.195  -1.389 -21.210
  738    HB2  ARG  96           1HB      ARG  96  -5.225  -2.394 -19.493
  739    HB3  ARG  96           2HB      ARG  96  -6.556  -3.531 -19.346
  740    HG2  ARG  96           1HG      ARG  96  -5.272  -2.697 -21.937
  741    HG3  ARG  96           2HG      ARG  96  -4.913  -4.180 -21.054
  742    HD2  ARG  96           1HD      ARG  96  -7.312  -4.814 -21.279
  743    HD3  ARG  96           2HD      ARG  96  -7.542  -3.394 -22.301
  744    HE   ARG  96           HE       ARG  96  -5.416  -4.896 -23.344
  745   HH11  ARG  96          2HH1      ARG  96  -8.884  -5.081 -22.955
  746   HH12  ARG  96          1HH1      ARG  96  -9.118  -6.168 -24.287
  747   HH21  ARG  96          2HH2      ARG  96  -5.701  -6.318 -25.104
  748   HH22  ARG  96          1HH2      ARG  96  -7.292  -6.887 -25.510
  749    H    LEU  97           H        LEU  97  -9.270  -1.860 -21.441
  750    HA   LEU  97           HA       LEU  97 -11.464  -2.255 -20.980
  751    HB2  LEU  97           1HB      LEU  97 -10.406  -3.781 -18.598
  752    HB3  LEU  97           2HB      LEU  97 -12.048  -3.853 -19.204
  753    HG   LEU  97           HG       LEU  97  -9.575  -4.812 -20.646
  754   HD11  LEU  97          1HD1      LEU  97 -10.701  -7.026 -20.393
  755   HD12  LEU  97          2HD1      LEU  97 -10.145  -6.310 -18.880
  756   HD13  LEU  97          3HD1      LEU  97 -11.854  -6.252 -19.307
  757   HD21  LEU  97          3HD2      LEU  97 -12.369  -5.333 -21.565
  758   HD22  LEU  97          1HD2      LEU  97 -11.581  -3.811 -21.988
  759   HD23  LEU  97          2HD2      LEU  97 -10.862  -5.343 -22.482
  760    H    ASP  98           H        ASP  98 -10.580   0.156 -20.298
  761    HA   ASP  98           HA       ASP  98 -12.164   0.870 -17.952
  762    HB2  ASP  98           1HB      ASP  98  -9.773   0.459 -17.230
  763    HB3  ASP  98           2HB      ASP  98  -9.291   1.783 -18.283
  764    H    ARG  99           H        ARG  99 -10.346   3.502 -18.448
  765    HA   ARG  99           HA       ARG  99 -12.163   4.703 -20.371
  766    HB2  ARG  99           1HB      ARG  99  -9.913   5.722 -18.678
  767    HB3  ARG  99           2HB      ARG  99 -10.377   6.632 -20.106
  768    HG2  ARG  99           1HG      ARG  99 -11.860   7.653 -18.815
  769    HG3  ARG  99           2HG      ARG  99 -12.781   6.150 -18.849
  770    HD2  ARG  99           1HD      ARG  99 -10.619   6.661 -16.828
  771    HD3  ARG  99           2HD      ARG  99 -12.285   7.173 -16.568
  772    HE   ARG  99           HE       ARG  99 -11.231   4.511 -16.378
  773   HH11  ARG  99          2HH1      ARG  99 -14.132   6.399 -16.972
  774   HH12  ARG  99          1HH1      ARG  99 -15.217   5.101 -16.559
  775   HH21  ARG  99          2HH2      ARG  99 -12.654   2.794 -15.860
  776   HH22  ARG  99          1HH2      ARG  99 -14.377   3.050 -15.953
  777    H    HIS 100           H        HIS 100 -11.603   3.106 -21.978
  778    HA   HIS 100           HA       HIS 100  -9.376   3.906 -23.678
  779    HB2  HIS 100           1HB      HIS 100  -8.799   2.057 -21.826
  780    HB3  HIS 100           2HB      HIS 100  -9.571   1.004 -22.999
  781    HD1  HIS 100           HD1      HIS 100  -7.164  -0.110 -23.101
  782    HD2  HIS 100           HD2      HIS 100  -7.464   3.724 -24.682
  783    HE1  HIS 100           HE1      HIS 100  -5.047   0.250 -24.402
  784    HE2  HIS 100           HE2      HIS 100  -5.373   2.463 -25.555
  785    H    PHE 101           H        PHE 101  -9.872   3.509 -25.815
  786    HA   PHE 101           HA       PHE 101 -12.520   2.951 -26.457
  787    HB2  PHE 101           1HB      PHE 101 -11.823   2.938 -28.805
  788    HB3  PHE 101           2HB      PHE 101 -11.108   4.277 -27.926
  789    HD1  PHE 101           HD2      PHE 101 -10.431   1.023 -29.508
  790    HD2  PHE 101           HD1      PHE 101  -8.760   4.504 -27.717
  791    HE1  PHE 101           HE2      PHE 101  -8.219   0.411 -30.390
  792    HE2  PHE 101           HE1      PHE 101  -6.546   3.904 -28.606
  793    HZ   PHE 101           HZ       PHE 101  -6.272   1.853 -29.942
  794    H    GLU 102           H        GLU 102  -9.705   0.826 -26.491
  795    HA   GLU 102           HA       GLU 102  -9.488  -1.424 -26.653
  796    HB2  GLU 102           1HB      GLU 102 -12.199  -1.323 -25.318
  797    HB3  GLU 102           2HB      GLU 102 -11.151  -2.733 -25.373
  798    HG2  GLU 102           1HG      GLU 102 -10.455  -0.113 -24.068
  799    HG3  GLU 102           2HG      GLU 102 -11.084  -1.524 -23.225
  800    H    LYS 103           H        LYS 103 -12.712  -2.419 -26.767
  801    HA   LYS 103           HA       LYS 103 -12.556  -2.723 -29.697
  802    HB2  LYS 103           1HB      LYS 103 -13.703  -4.687 -27.704
  803    HB3  LYS 103           2HB      LYS 103 -13.671  -4.895 -29.449
  804    HG2  LYS 103           1HG      LYS 103 -11.231  -4.939 -29.404
  805    HG3  LYS 103           2HG      LYS 103 -11.258  -4.725 -27.651
  806    HD2  LYS 103           1HD      LYS 103 -12.493  -6.832 -27.424
  807    HD3  LYS 103           2HD      LYS 103 -12.440  -7.049 -29.174
  808    HE2  LYS 103           1HE      LYS 103 -10.055  -6.902 -27.333
  809    HE3  LYS 103           2HE      LYS 103 -10.714  -8.369 -28.056
  810    HZ1  LYS 103           3HZ      LYS 103  -9.547  -7.998 -29.882
  811    HZ2  LYS 103           1HZ      LYS 103  -8.805  -6.672 -29.124
  812    HZ3  LYS 103           2HZ      LYS 103 -10.201  -6.447 -30.065
  813    H    LYS 104           H        LYS 104 -14.771  -2.694 -26.920
  814    HA   LYS 104           HA       LYS 104 -17.047  -2.236 -28.649
  815    HB2  LYS 104           1HB      LYS 104 -16.786  -2.476 -25.648
  816    HB3  LYS 104           2HB      LYS 104 -18.314  -2.257 -26.488
  817    HG2  LYS 104           1HG      LYS 104 -18.102  -4.377 -27.571
  818    HG3  LYS 104           2HG      LYS 104 -16.458  -4.578 -26.957
  819    HD2  LYS 104           1HD      LYS 104 -17.227  -4.801 -24.722
  820    HD3  LYS 104           2HD      LYS 104 -18.852  -4.273 -25.158
  821    HE2  LYS 104           1HE      LYS 104 -18.769  -6.684 -24.808
  822    HE3  LYS 104           2HE      LYS 104 -19.167  -6.293 -26.479
  823    HZ1  LYS 104           3HZ      LYS 104 -17.159  -7.954 -25.590
  824    HZ2  LYS 104           1HZ      LYS 104 -16.363  -6.567 -26.155
  825    HZ3  LYS 104           2HZ      LYS 104 -17.416  -7.416 -27.180
  826    H    LYS 105           H        LYS 105 -15.813  -0.584 -25.765
  827    HA   LYS 105           HA       LYS 105 -17.333   1.772 -26.337
  828    HB2  LYS 105           1HB      LYS 105 -16.130   2.646 -24.278
  829    HB3  LYS 105           2HB      LYS 105 -17.140   1.224 -24.057
  830    HG2  LYS 105           1HG      LYS 105 -15.213  -0.208 -24.017
  831    HG3  LYS 105           2HG      LYS 105 -14.155   1.139 -24.431
  832    HD2  LYS 105           1HD      LYS 105 -13.948   0.726 -22.085
  833    HD3  LYS 105           2HD      LYS 105 -14.829   2.237 -22.297
  834    HE2  LYS 105           1HE      LYS 105 -16.262  -0.370 -21.916
  835    HE3  LYS 105           2HE      LYS 105 -15.671   0.557 -20.540
  836    HZ1  LYS 105           3HZ      LYS 105 -17.685   1.504 -20.674
  837    HZ2  LYS 105           1HZ      LYS 105 -17.915   1.078 -22.300
  838    HZ3  LYS 105           2HZ      LYS 105 -16.984   2.443 -21.900
  839    H    LYS 106           H        LYS 106 -15.942   1.687 -28.531
  840    HA   LYS 106           HA       LYS 106 -13.414   3.063 -28.301
  841    HB2  LYS 106           1HB      LYS 106 -15.043   2.382 -30.755
  842    HB3  LYS 106           2HB      LYS 106 -13.410   3.036 -30.767
  843    HG2  LYS 106           1HG      LYS 106 -12.749   0.995 -29.404
  844    HG3  LYS 106           2HG      LYS 106 -14.328   0.336 -29.834
  845    HD2  LYS 106           1HD      LYS 106 -12.211   1.235 -31.788
  846    HD3  LYS 106           2HD      LYS 106 -12.544  -0.437 -31.341
  847    HE2  LYS 106           1HE      LYS 106 -14.820  -0.208 -32.229
  848    HE3  LYS 106           2HE      LYS 106 -14.462   1.455 -32.698
  849    HZ1  LYS 106           3HZ      LYS 106 -12.683   0.587 -34.135
  850    HZ2  LYS 106           1HZ      LYS 106 -14.212   0.010 -34.586
  851    HZ3  LYS 106           2HZ      LYS 106 -13.142  -0.996 -33.739
  852    H    VAL 107           H        VAL 107 -15.278   4.562 -27.050
  853    HA   VAL 107           HA       VAL 107 -15.315   6.967 -28.717
  854    HB   VAL 107           HB       VAL 107 -17.662   6.049 -27.035
  855   HG11  VAL 107          1HG1      VAL 107 -18.736   8.093 -27.510
  856   HG12  VAL 107          2HG1      VAL 107 -17.106   8.526 -26.993
  857   HG13  VAL 107          3HG1      VAL 107 -17.522   8.543 -28.707
  858   HG21  VAL 107          3HG2      VAL 107 -18.602   6.610 -29.552
  859   HG22  VAL 107          1HG2      VAL 107 -17.044   5.850 -29.879
  860   HG23  VAL 107          2HG2      VAL 107 -18.255   5.000 -28.919
  Start of MODEL    5
    1    H1   GLY  -1           1H       GLY  -1   8.493  -4.137 -15.282
    2    H2   GLY  -1           2H       GLY  -1   7.844  -3.312 -13.949
    3    H3   GLY  -1           3H       GLY  -1   6.925  -3.505 -15.357
    4    HA2  GLY  -1           1HA      GLY  -1   7.594  -6.059 -14.690
    5    HA3  GLY  -1           2HA      GLY  -1   7.249  -5.284 -13.150
    6    H    GLY   0           H        GLY   0   5.324  -6.350 -12.761
    7    HA2  GLY   0           2HA      GLY   0   2.967  -5.209 -13.462
    8    HA3  GLY   0           1HA      GLY   0   3.225  -6.375 -14.753
    9    H    SER   1           H        SER   1   4.417  -8.421 -13.355
   10    HA   SER   1           HA       SER   1   3.952 -10.293 -12.183
   11    HB2  SER   1           1HB      SER   1   4.131  -8.715 -10.254
   12    HB3  SER   1           2HB      SER   1   2.390  -8.472 -10.333
   13    HG   SER   1           HG       SER   1   3.683 -10.349  -9.027
   14    H    SER   2           H        SER   2   1.348 -10.504 -10.607
   15    HA   SER   2           HA       SER   2  -0.818 -10.396 -12.436
   16    HB2  SER   2           1HB      SER   2   0.503 -12.241 -13.490
   17    HB3  SER   2           2HB      SER   2   0.403 -13.141 -11.978
   18    HG   SER   2           HG       SER   2  -1.603 -12.577 -13.871
   19    H    ARG   3           H        ARG   3  -1.561 -13.162 -11.086
   20    HA   ARG   3           HA       ARG   3  -2.699 -13.881  -9.254
   21    HB2  ARG   3           1HB      ARG   3  -0.968 -11.950  -7.706
   22    HB3  ARG   3           2HB      ARG   3  -1.769 -13.388  -7.090
   23    HG2  ARG   3           1HG      ARG   3  -0.330 -14.795  -8.462
   24    HG3  ARG   3           2HG      ARG   3   0.462 -13.357  -9.113
   25    HD2  ARG   3           1HD      ARG   3   1.867 -14.194  -7.401
   26    HD3  ARG   3           2HD      ARG   3   1.080 -12.755  -6.755
   27    HE   ARG   3           HE       ARG   3  -0.428 -15.038  -6.069
   28   HH11  ARG   3          2HH1      ARG   3   2.495 -13.320  -5.261
   29   HH12  ARG   3          1HH1      ARG   3   2.688 -14.089  -3.712
   30   HH21  ARG   3          2HH2      ARG   3  -0.227 -16.033  -4.028
   31   HH22  ARG   3          1HH2      ARG   3   1.135 -15.653  -3.005
   32    H    HIS   4           H        HIS   4  -4.268 -12.309 -10.552
   33    HA   HIS   4           HA       HIS   4  -5.412 -10.533  -8.508
   34    HB2  HIS   4           1HB      HIS   4  -6.212  -9.067 -10.402
   35    HB3  HIS   4           2HB      HIS   4  -4.479  -9.048 -10.112
   36    HD1  HIS   4           HD1      HIS   4  -7.004 -10.533 -12.523
   37    HD2  HIS   4           HD2      HIS   4  -2.945  -9.665 -12.279
   38    HE1  HIS   4           HE1      HIS   4  -6.063 -11.046 -14.797
   39    HE2  HIS   4           HE2      HIS   4  -3.574 -10.718 -14.556
   40    H    GLN   5           H        GLN   5  -7.364 -11.028  -7.930
   41    HA   GLN   5           HA       GLN   5  -9.023 -12.673  -9.721
   42    HB2  GLN   5           1HB      GLN   5 -10.355 -13.110  -7.589
   43    HB3  GLN   5           2HB      GLN   5  -8.774 -13.873  -7.704
   44    HG2  GLN   5           1HG      GLN   5  -7.827 -12.138  -6.286
   45    HG3  GLN   5           2HG      GLN   5  -9.398 -11.341  -6.203
   46   HE21  GLN   5          1HE2      GLN   5 -10.087 -14.534  -6.244
   47   HE22  GLN   5          2HE2      GLN   5 -10.139 -14.846  -4.544
   48    H    PHE   6           H        PHE   6 -11.429 -12.208  -9.485
   49    HA   PHE   6           HA       PHE   6 -13.167 -10.762  -9.809
   50    HB2  PHE   6           1HB      PHE   6 -12.543 -10.127  -7.413
   51    HB3  PHE   6           2HB      PHE   6 -11.642  -8.781  -8.097
   52    HD1  PHE   6           HD1      PHE   6 -14.977 -10.156  -9.017
   53    HD2  PHE   6           HD2      PHE   6 -12.756  -6.878  -7.458
   54    HE1  PHE   6           HE1      PHE   6 -17.018  -8.788  -9.000
   55    HE2  PHE   6           HE2      PHE   6 -14.797  -5.503  -7.441
   56    HZ   PHE   6           HZ       PHE   6 -16.930  -6.459  -8.209
   57    H    ASP   7           H        ASP   7 -12.048  -7.694  -9.610
   58    HA   ASP   7           HA       ASP   7 -10.871  -7.741 -12.296
   59    HB2  ASP   7           1HB      ASP   7 -11.873  -5.626 -12.850
   60    HB3  ASP   7           2HB      ASP   7 -13.149  -6.722 -12.350
   61    H    LEU   8           H        LEU   8  -9.611  -7.994  -9.768
   62    HA   LEU   8           HA       LEU   8  -8.512  -5.532  -8.921
   63    HB2  LEU   8           1HB      LEU   8  -7.670  -8.380  -8.483
   64    HB3  LEU   8           2HB      LEU   8  -6.762  -7.022  -7.841
   65    HG   LEU   8           HG       LEU   8  -9.675  -7.465  -7.258
   66   HD11  LEU   8          1HD1      LEU   8  -7.736  -9.161  -6.451
   67   HD12  LEU   8          2HD1      LEU   8  -7.720  -7.978  -5.145
   68   HD13  LEU   8          3HD1      LEU   8  -9.212  -8.828  -5.548
   69   HD21  LEU   8          3HD2      LEU   8  -9.469  -5.794  -5.653
   70   HD22  LEU   8          1HD2      LEU   8  -7.710  -5.886  -5.651
   71   HD23  LEU   8          2HD2      LEU   8  -8.551  -5.173  -7.024
   72    H    ILE   9           H        ILE   9  -6.605  -4.641  -9.241
   73    HA   ILE   9           HA       ILE   9  -5.056  -5.365 -11.602
   74    HB   ILE   9           HB       ILE   9  -5.485  -2.754 -12.033
   75   HG12  ILE   9          1HG1      ILE   9  -7.777  -2.115 -11.615
   76   HG13  ILE   9          2HG1      ILE   9  -8.134  -3.698 -10.937
   77   HG21  ILE   9          1HG2      ILE   9  -6.955  -5.150 -12.986
   78   HG22  ILE   9          2HG2      ILE   9  -7.482  -3.548 -13.506
   79   HG23  ILE   9          3HG2      ILE   9  -5.838  -4.088 -13.848
   80   HD11  ILE   9          3HD1      ILE   9  -5.981  -2.576  -9.455
   81   HD12  ILE   9          1HD1      ILE   9  -7.260  -1.364  -9.604
   82   HD13  ILE   9          2HD1      ILE   9  -7.622  -2.948  -8.919
   83    H    MET  10           H        MET  10  -4.094  -5.402  -9.021
   84    HA   MET  10           HA       MET  10  -3.130  -2.881  -8.213
   85    HB2  MET  10           1HB      MET  10  -1.308  -4.868  -7.288
   86    HB3  MET  10           2HB      MET  10  -2.458  -3.901  -6.389
   87    HG2  MET  10           1HG      MET  10  -4.184  -5.643  -7.182
   88    HG3  MET  10           2HG      MET  10  -2.762  -6.633  -7.513
   89    HE1  MET  10           3HE      MET  10  -3.883  -4.804  -3.489
   90    HE2  MET  10           1HE      MET  10  -2.473  -4.126  -4.312
   91    HE3  MET  10           2HE      MET  10  -4.057  -4.103  -5.105
   92    H    CYS  11           H        CYS  11  -1.423  -1.791  -8.544
   93    HA   CYS  11           HA       CYS  11  -0.301  -1.652 -10.988
   94    HB2  CYS  11           1HB      CYS  11  -0.253   0.147  -9.362
   95    HB3  CYS  11           2HB      CYS  11   0.863  -0.752  -8.348
   96    H    LEU  12           H        LEU  12   1.170  -3.140  -8.138
   97    HA   LEU  12           HA       LEU  12   3.017  -4.440  -7.844
   98    HB2  LEU  12           1HB      LEU  12   1.578  -5.852 -10.072
   99    HB3  LEU  12           2HB      LEU  12   2.789  -6.581  -9.034
  100    HG   LEU  12           HG       LEU  12   0.022  -5.670  -8.305
  101   HD11  LEU  12          1HD1      LEU  12  -0.453  -7.848  -8.037
  102   HD12  LEU  12          2HD1      LEU  12   0.885  -8.051  -9.167
  103   HD13  LEU  12          3HD1      LEU  12   1.162  -8.235  -7.435
  104   HD21  LEU  12          3HD2      LEU  12   0.601  -6.283  -5.966
  105   HD22  LEU  12          1HD2      LEU  12   2.298  -6.332  -6.449
  106   HD23  LEU  12          2HD2      LEU  12   1.398  -4.817  -6.541
  107    H    LYS  13           H        LYS  13   3.891  -2.324  -9.459
  108    HA   LYS  13           HA       LYS  13   5.637  -3.509 -11.462
  109    HB2  LYS  13           1HB      LYS  13   5.544  -0.735 -10.274
  110    HB3  LYS  13           2HB      LYS  13   6.690  -1.246 -11.500
  111    HG2  LYS  13           1HG      LYS  13   4.682  -1.806 -12.935
  112    HG3  LYS  13           2HG      LYS  13   3.733  -0.892 -11.757
  113    HD2  LYS  13           1HD      LYS  13   5.482   0.944 -12.072
  114    HD3  LYS  13           2HD      LYS  13   5.934   0.064 -13.534
  115    HE2  LYS  13           1HE      LYS  13   3.141   0.954 -12.913
  116    HE3  LYS  13           2HE      LYS  13   4.291   1.898 -13.836
  117    HZ1  LYS  13           3HZ      LYS  13   4.151  -0.731 -14.868
  118    HZ2  LYS  13           1HZ      LYS  13   3.829   0.741 -15.650
  119    HZ3  LYS  13           2HZ      LYS  13   2.597  -0.054 -14.796
  120    H    GLN  14           H        GLN  14   7.948  -2.039 -10.828
  121    HA   GLN  14           HA       GLN  14   9.014  -3.688  -8.683
  122    HB2  GLN  14           1HB      GLN  14  10.251  -3.191 -10.836
  123    HB3  GLN  14           2HB      GLN  14  10.426  -1.539 -10.263
  124    HG2  GLN  14           1HG      GLN  14  12.428  -2.693  -9.771
  125    HG3  GLN  14           2HG      GLN  14  11.571  -2.421  -8.256
  126   HE21  GLN  14          1HE2      GLN  14  10.120  -4.838 -10.119
  127   HE22  GLN  14          2HE2      GLN  14  10.803  -6.207  -9.307
  128    HA   PRO  15           HA       PRO  15   7.904  -0.281  -6.000
  129    HB2  PRO  15           1HB      PRO  15   8.114  -1.572  -3.675
  130    HB3  PRO  15           2HB      PRO  15   6.773  -1.866  -4.787
  131    HG2  PRO  15           1HG      PRO  15   9.260  -3.479  -4.356
  132    HG3  PRO  15           2HG      PRO  15   7.588  -4.036  -4.555
  133    HD2  PRO  15           1HD      PRO  15   9.431  -4.030  -6.576
  134    HD3  PRO  15           2HD      PRO  15   7.683  -3.885  -6.841
  135    H    GLY  16           H        GLY  16   9.003   1.204  -4.746
  136    HA2  GLY  16           2HA      GLY  16  11.902   0.754  -4.523
  137    HA3  GLY  16           1HA      GLY  16  11.105   2.323  -4.519
  138    H    VAL  17           H        VAL  17  11.882   3.095  -2.619
  139    HA   VAL  17           HA       VAL  17  11.515   1.504  -0.192
  140    HB   VAL  17           HB       VAL  17  12.751   3.352   0.948
  141   HG11  VAL  17          1HG1      VAL  17  13.768   1.471  -1.001
  142   HG12  VAL  17          2HG1      VAL  17  14.842   2.855  -0.807
  143   HG13  VAL  17          3HG1      VAL  17  14.391   1.885   0.595
  144   HG21  VAL  17          3HG2      VAL  17  14.053   4.881  -0.608
  145   HG22  VAL  17          1HG2      VAL  17  12.907   4.416  -1.863
  146   HG23  VAL  17          2HG2      VAL  17  12.338   5.242  -0.413
  147    H    GLN  18           H        GLN  18  10.067   3.976  -1.989
  148    HA   GLN  18           HA       GLN  18   8.862   5.515   0.022
  149    HB2  GLN  18           1HB      GLN  18   7.890   4.981  -2.794
  150    HB3  GLN  18           2HB      GLN  18   7.320   6.273  -1.750
  151    HG2  GLN  18           1HG      GLN  18   8.809   7.442  -2.986
  152    HG3  GLN  18           2HG      GLN  18   9.889   6.886  -1.712
  153   HE21  GLN  18          1HE2      GLN  18   9.828   7.412  -4.836
  154   HE22  GLN  18          2HE2      GLN  18  10.865   6.149  -5.411
  155    H    THR  19           H        THR  19   6.887   5.404   1.036
  156    HA   THR  19           HA       THR  19   5.518   2.805   0.840
  157    HB   THR  19           HB       THR  19   5.364   4.763   3.133
  158    HG1  THR  19           HG1      THR  19   7.368   2.996   2.397
  159   HG21  THR  19          1HG2      THR  19   4.592   1.896   2.709
  160   HG22  THR  19          2HG2      THR  19   3.612   3.229   3.321
  161   HG23  THR  19          3HG2      THR  19   4.883   2.534   4.326
  162    H    GLY  20           H        GLY  20   3.500   2.775   0.056
  163    HA2  GLY  20           2HA      GLY  20   2.200   5.061  -0.947
  164    HA3  GLY  20           1HA      GLY  20   1.473   3.471  -0.761
  165    H    LEU  21           H        LEU  21   0.628   6.364  -0.175
  166    HA   LEU  21           HA       LEU  21   0.333   6.478   2.657
  167    HB2  LEU  21           1HB      LEU  21  -0.734   8.178   0.428
  168    HB3  LEU  21           2HB      LEU  21  -1.137   8.469   2.108
  169    HG   LEU  21           HG       LEU  21   1.620   8.583   0.889
  170   HD11  LEU  21          1HD1      LEU  21   1.447  10.846   0.919
  171   HD12  LEU  21          2HD1      LEU  21  -0.256  10.453   0.679
  172   HD13  LEU  21          3HD1      LEU  21   0.338  10.854   2.292
  173   HD21  LEU  21          3HD2      LEU  21   2.337   9.354   3.111
  174   HD22  LEU  21          1HD2      LEU  21   0.726   9.002   3.741
  175   HD23  LEU  21          2HD2      LEU  21   1.746   7.693   3.143
  176    H    LEU  22           H        LEU  22  -1.542   6.625   3.839
  177    HA   LEU  22           HA       LEU  22  -3.860   5.143   2.785
  178    HB2  LEU  22           1HB      LEU  22  -2.099   4.420   4.840
  179    HB3  LEU  22           2HB      LEU  22  -3.556   4.967   5.649
  180    HG   LEU  22           HG       LEU  22  -4.881   3.373   4.472
  181   HD11  LEU  22          1HD1      LEU  22  -4.309   2.457   2.531
  182   HD12  LEU  22          2HD1      LEU  22  -2.851   3.452   2.564
  183   HD13  LEU  22          3HD1      LEU  22  -2.818   1.811   3.215
  184   HD21  LEU  22          3HD2      LEU  22  -3.133   2.766   6.431
  185   HD22  LEU  22          1HD2      LEU  22  -4.326   1.636   5.786
  186   HD23  LEU  22          2HD2      LEU  22  -2.665   1.594   5.201
  187    H    CYS  23           H        CYS  23  -5.755   6.129   2.962
  188    HA   CYS  23           HA       CYS  23  -6.008   8.571   4.526
  189    HB2  CYS  23           1HB      CYS  23  -7.991   8.989   3.408
  190    HB3  CYS  23           2HB      CYS  23  -7.117   8.070   2.192
  191    H    GLU  24           H        GLU  24  -7.465   8.753   6.279
  192    HA   GLU  24           HA       GLU  24  -7.300   6.775   8.171
  193    HB2  GLU  24           1HB      GLU  24  -9.319   8.996   7.916
  194    HB3  GLU  24           2HB      GLU  24  -9.140   8.003   9.356
  195    HG2  GLU  24           1HG      GLU  24  -6.855   8.765   9.627
  196    HG3  GLU  24           2HG      GLU  24  -6.982   9.718   8.148
  197    H    LYS  25           H        LYS  25  -9.871   7.226   5.806
  198    HA   LYS  25           HA       LYS  25 -11.772   5.523   6.963
  199    HB2  LYS  25           1HB      LYS  25 -11.317   6.138   4.043
  200    HB3  LYS  25           2HB      LYS  25 -12.761   5.386   4.702
  201    HG2  LYS  25           1HG      LYS  25 -11.768   8.149   5.367
  202    HG3  LYS  25           2HG      LYS  25 -13.084   7.765   4.258
  203    HD2  LYS  25           1HD      LYS  25 -14.390   6.831   6.056
  204    HD3  LYS  25           2HD      LYS  25 -13.045   7.026   7.182
  205    HE2  LYS  25           1HE      LYS  25 -14.725   8.783   7.464
  206    HE3  LYS  25           2HE      LYS  25 -13.169   9.437   6.954
  207    HZ1  LYS  25           3HZ      LYS  25 -15.207   8.801   4.927
  208    HZ2  LYS  25           1HZ      LYS  25 -13.962   9.953   4.880
  209    HZ3  LYS  25           2HZ      LYS  25 -15.340  10.236   5.824
  210    H    CYS  26           H        CYS  26  -9.044   4.791   4.843
  211    HA   CYS  26           HA       CYS  26  -9.820   1.972   4.769
  212    HB2  CYS  26           1HB      CYS  26  -7.453   3.307   3.444
  213    HB3  CYS  26           2HB      CYS  26  -8.026   1.667   3.165
  214    H    ASP  27           H        ASP  27  -7.813   4.128   6.475
  215    HA   ASP  27           HA       ASP  27  -5.551   2.678   6.949
  216    HB2  ASP  27           1HB      ASP  27  -5.883   5.018   7.674
  217    HB3  ASP  27           2HB      ASP  27  -6.925   4.451   8.976
  218    H    GLY  28           H        GLY  28  -5.374   0.710   7.522
  219    HA2  GLY  28           2HA      GLY  28  -5.583  -0.710   9.688
  220    HA3  GLY  28           1HA      GLY  28  -7.302  -0.471   9.385
  221    H    LYS  29           H        LYS  29  -6.943  -0.477   6.497
  222    HA   LYS  29           HA       LYS  29  -7.117  -3.318   6.057
  223    HB2  LYS  29           1HB      LYS  29  -7.213  -1.012   4.101
  224    HB3  LYS  29           2HB      LYS  29  -7.604  -2.677   3.725
  225    HG2  LYS  29           1HG      LYS  29  -9.511  -2.620   5.152
  226    HG3  LYS  29           2HG      LYS  29  -9.093  -0.993   5.698
  227    HD2  LYS  29           1HD      LYS  29  -9.471  -0.083   3.523
  228    HD3  LYS  29           2HD      LYS  29  -9.626  -1.695   2.818
  229    HE2  LYS  29           1HE      LYS  29 -11.446  -0.709   4.968
  230    HE3  LYS  29           2HE      LYS  29 -11.774  -0.393   3.265
  231    HZ1  LYS  29           3HZ      LYS  29 -12.856  -2.341   3.410
  232    HZ2  LYS  29           1HZ      LYS  29 -12.009  -2.849   4.786
  233    HZ3  LYS  29           2HZ      LYS  29 -11.313  -3.030   3.246
  234    H    CYS  30           H        CYS  30  -5.602  -4.605   5.243
  235    HA   CYS  30           HA       CYS  30  -3.012  -3.547   4.425
  236    HB2  CYS  30           1HB      CYS  30  -2.780  -5.555   5.613
  237    HB3  CYS  30           2HB      CYS  30  -4.177  -6.286   4.838
  238    HA   PRO  31           HA       PRO  31  -4.742  -2.664   0.446
  239    HB2  PRO  31           1HB      PRO  31  -1.881  -2.880  -0.376
  240    HB3  PRO  31           2HB      PRO  31  -3.055  -1.602  -0.705
  241    HG2  PRO  31           1HG      PRO  31  -1.183  -1.268   1.152
  242    HG3  PRO  31           2HG      PRO  31  -2.832  -0.668   1.404
  243    HD2  PRO  31           1HD      PRO  31  -1.474  -3.035   2.594
  244    HD3  PRO  31           2HD      PRO  31  -2.704  -1.965   3.295
  245    H    ILE  32           H        ILE  32  -2.313  -5.224   0.698
  246    HA   ILE  32           HA       ILE  32  -2.673  -6.359  -1.817
  247    HB   ILE  32           HB       ILE  32  -1.867  -7.741   0.748
  248   HG12  ILE  32          1HG1      ILE  32  -0.526  -5.698  -0.265
  249   HG13  ILE  32          2HG1      ILE  32   0.316  -7.111   0.358
  250   HG21  ILE  32          1HG2      ILE  32  -0.621  -9.030  -1.340
  251   HG22  ILE  32          2HG2      ILE  32  -2.035  -9.606  -0.457
  252   HG23  ILE  32          3HG2      ILE  32  -2.240  -8.714  -1.963
  253   HD11  ILE  32          3HD1      ILE  32  -0.392  -7.113  -2.515
  254   HD12  ILE  32          1HD1      ILE  32   0.888  -6.024  -1.984
  255   HD13  ILE  32          2HD1      ILE  32   1.031  -7.760  -1.688
  256    H    CYS  33           H        CYS  33  -4.132  -7.384   1.277
  257    HA   CYS  33           HA       CYS  33  -5.886  -9.163  -0.235
  258    HB2  CYS  33           1HB      CYS  33  -6.174 -10.380   1.880
  259    HB3  CYS  33           2HB      CYS  33  -4.479 -10.235   1.433
  260    H    ASP  34           H        ASP  34  -5.977  -6.342   1.712
  261    HA   ASP  34           HA       ASP  34  -7.631  -4.984   2.446
  262    HB2  ASP  34           1HB      ASP  34  -8.695  -5.049   0.297
  263    HB3  ASP  34           2HB      ASP  34  -9.350  -6.654   0.603
  264    H    SER  35           H        SER  35  -7.243  -5.776   4.507
  265    HA   SER  35           HA       SER  35  -9.478  -6.883   5.853
  266    HB2  SER  35           1HB      SER  35  -8.475  -8.948   4.809
  267    HB3  SER  35           2HB      SER  35  -7.007  -8.641   5.737
  268    HG   SER  35           HG       SER  35  -9.343  -8.651   7.220
  269    H    TYR  36           H        TYR  36  -9.374  -6.391   8.006
  270    HA   TYR  36           HA       TYR  36  -7.216  -4.670   8.856
  271    HB2  TYR  36           1HB      TYR  36  -9.849  -5.495  10.025
  272    HB3  TYR  36           2HB      TYR  36  -8.643  -4.732  11.053
  273    HD1  TYR  36           HD2      TYR  36  -9.947  -4.116   7.590
  274    HD2  TYR  36           HD1      TYR  36  -9.079  -2.516  11.436
  275    HE1  TYR  36           HE2      TYR  36 -10.708  -1.902   6.839
  276    HE2  TYR  36           HE1      TYR  36  -9.844  -0.303  10.695
  277    HH   TYR  36           HH       TYR  36 -10.368   0.949   8.882
  278    H    VAL  37           H        VAL  37  -6.151  -7.105   8.408
  279    HA   VAL  37           HA       VAL  37  -5.843  -8.410  11.006
  280    HB   VAL  37           HB       VAL  37  -6.213  -9.946   9.198
  281   HG11  VAL  37          1HG1      VAL  37  -5.381  -9.788   7.136
  282   HG12  VAL  37          2HG1      VAL  37  -4.940  -8.146   7.605
  283   HG13  VAL  37          3HG1      VAL  37  -3.750  -9.443   7.713
  284   HG21  VAL  37          3HG2      VAL  37  -4.817 -11.018  10.675
  285   HG22  VAL  37          1HG2      VAL  37  -3.890 -11.141   9.180
  286   HG23  VAL  37          2HG2      VAL  37  -3.473  -9.914  10.377
  287    H    ARG  38           H        ARG  38  -3.857  -8.620  12.003
  288    HA   ARG  38           HA       ARG  38  -2.436  -6.460  12.500
  289    HB2  ARG  38           1HB      ARG  38  -0.989  -9.096  12.350
  290    HB3  ARG  38           2HB      ARG  38  -0.691  -7.763  13.454
  291    HG2  ARG  38           1HG      ARG  38  -2.880  -8.176  14.497
  292    HG3  ARG  38           2HG      ARG  38  -3.095  -9.562  13.425
  293    HD2  ARG  38           1HD      ARG  38  -0.994 -10.519  14.345
  294    HD3  ARG  38           2HD      ARG  38  -0.946  -9.193  15.505
  295    HE   ARG  38           HE       ARG  38  -2.498 -11.553  15.686
  296   HH11  ARG  38          2HH1      ARG  38  -2.673  -8.110  16.371
  297   HH12  ARG  38          1HH1      ARG  38  -3.822  -8.296  17.657
  298   HH21  ARG  38          2HH2      ARG  38  -3.987 -11.800  17.372
  299   HH22  ARG  38          1HH2      ARG  38  -4.602 -10.399  18.206
  300    HA   PRO  39           HA       PRO  39   0.095  -5.533   8.893
  301    HB2  PRO  39           1HB      PRO  39   1.119  -3.256   9.874
  302    HB3  PRO  39           2HB      PRO  39  -0.547  -3.341   9.289
  303    HG2  PRO  39           1HG      PRO  39   0.478  -3.434  12.100
  304    HG3  PRO  39           2HG      PRO  39  -0.916  -2.554  11.445
  305    HD2  PRO  39           1HD      PRO  39  -1.114  -4.941  12.762
  306    HD3  PRO  39           2HD      PRO  39  -2.276  -4.391  11.538
  307    H    LYS  40           H        LYS  40   2.357  -5.677   8.497
  308    HA   LYS  40           HA       LYS  40   3.960  -6.371  10.869
  309    HB2  LYS  40           1HB      LYS  40   3.224  -8.380   9.612
  310    HB3  LYS  40           2HB      LYS  40   4.067  -7.771   8.194
  311    HG2  LYS  40           1HG      LYS  40   6.177  -8.044   9.206
  312    HG3  LYS  40           2HG      LYS  40   5.464  -8.281  10.803
  313    HD2  LYS  40           1HD      LYS  40   4.482 -10.387  10.064
  314    HD3  LYS  40           2HD      LYS  40   5.150 -10.144   8.450
  315    HE2  LYS  40           1HE      LYS  40   6.493 -11.700   9.807
  316    HE3  LYS  40           2HE      LYS  40   7.400 -10.272   9.316
  317    HZ1  LYS  40           3HZ      LYS  40   7.482  -9.475  11.436
  318    HZ2  LYS  40           1HZ      LYS  40   7.483 -11.138  11.764
  319    HZ3  LYS  40           2HZ      LYS  40   6.050 -10.246  11.922
  320    H    ARG  41           H        ARG  41   3.998  -5.083   7.581
  321    HA   ARG  41           HA       ARG  41   6.309  -3.478   8.247
  322    HB2  ARG  41           1HB      ARG  41   7.643  -4.247   6.315
  323    HB3  ARG  41           2HB      ARG  41   7.404  -5.520   7.506
  324    HG2  ARG  41           1HG      ARG  41   5.636  -6.483   6.121
  325    HG3  ARG  41           2HG      ARG  41   5.884  -5.210   4.927
  326    HD2  ARG  41           1HD      ARG  41   7.915  -7.266   5.782
  327    HD3  ARG  41           2HD      ARG  41   7.015  -7.270   4.268
  328    HE   ARG  41           HE       ARG  41   8.395  -4.829   4.503
  329   HH11  ARG  41          2HH1      ARG  41   8.936  -8.225   3.845
  330   HH12  ARG  41          1HH1      ARG  41  10.490  -7.969   3.107
  331   HH21  ARG  41          2HH2      ARG  41  10.388  -4.471   3.452
  332   HH22  ARG  41          1HH2      ARG  41  11.307  -5.824   2.859
  333    H    LYS  42           H        LYS  42   6.534  -1.664   6.928
  334    HA   LYS  42           HA       LYS  42   4.188  -0.684   5.770
  335    HB2  LYS  42           1HB      LYS  42   7.050   0.226   5.548
  336    HB3  LYS  42           2HB      LYS  42   5.727   1.093   4.782
  337    HG2  LYS  42           1HG      LYS  42   4.672   1.265   7.057
  338    HG3  LYS  42           2HG      LYS  42   6.186   0.641   7.712
  339    HD2  LYS  42           1HD      LYS  42   7.408   2.508   6.802
  340    HD3  LYS  42           2HD      LYS  42   5.958   3.106   5.992
  341    HE2  LYS  42           1HE      LYS  42   4.902   3.332   8.256
  342    HE3  LYS  42           2HE      LYS  42   6.475   2.946   8.955
  343    HZ1  LYS  42           3HZ      LYS  42   6.004   5.212   7.096
  344    HZ2  LYS  42           1HZ      LYS  42   7.414   4.892   7.987
  345    HZ3  LYS  42           2HZ      LYS  42   5.995   5.364   8.785
  346    H    VAL  43           H        VAL  43   3.489  -0.391   3.701
  347    HA   VAL  43           HA       VAL  43   4.280  -2.327   1.769
  348    HB   VAL  43           HB       VAL  43   2.697  -1.268   0.261
  349   HG11  VAL  43          1HG1      VAL  43   1.280  -1.168   2.873
  350   HG12  VAL  43          2HG1      VAL  43   0.810  -1.938   1.359
  351   HG13  VAL  43          3HG1      VAL  43   2.046  -2.677   2.378
  352   HG21  VAL  43          3HG2      VAL  43   3.245   1.046   1.813
  353   HG22  VAL  43          1HG2      VAL  43   2.288   0.909   0.339
  354   HG23  VAL  43          2HG2      VAL  43   1.516   0.709   1.912
  355    H    ARG  44           H        ARG  44   5.097  -1.885  -0.374
  356    HA   ARG  44           HA       ARG  44   6.781   0.527  -0.441
  357    HB2  ARG  44           1HB      ARG  44   7.394  -2.196  -1.607
  358    HB3  ARG  44           2HB      ARG  44   8.346  -0.749  -1.902
  359    HG2  ARG  44           1HG      ARG  44   9.550  -1.760  -0.236
  360    HG3  ARG  44           2HG      ARG  44   8.525  -0.666   0.693
  361    HD2  ARG  44           1HD      ARG  44   8.552  -2.833   1.755
  362    HD3  ARG  44           2HD      ARG  44   6.951  -2.522   1.090
  363    HE   ARG  44           HE       ARG  44   7.197  -4.379  -0.192
  364   HH11  ARG  44          2HH1      ARG  44  10.411  -3.352   0.766
  365   HH12  ARG  44          1HH1      ARG  44  11.214  -4.523  -0.231
  366   HH21  ARG  44          2HH2      ARG  44   8.257  -5.956  -1.446
  367   HH22  ARG  44          1HH2      ARG  44   9.999  -5.996  -1.492
  368    H    VAL  45           H        VAL  45   6.030   1.902  -1.846
  369    HA   VAL  45           HA       VAL  45   4.382   0.957  -4.040
  370    HB   VAL  45           HB       VAL  45   3.494   2.754  -2.655
  371   HG11  VAL  45          1HG1      VAL  45   5.611   4.592  -3.688
  372   HG12  VAL  45          2HG1      VAL  45   4.458   4.862  -2.380
  373   HG13  VAL  45          3HG1      VAL  45   5.797   3.734  -2.160
  374   HG21  VAL  45          3HG2      VAL  45   3.461   2.638  -5.332
  375   HG22  VAL  45          1HG2      VAL  45   2.466   3.700  -4.330
  376   HG23  VAL  45          2HG2      VAL  45   3.968   4.300  -5.037
  377    H    CYS  46           H        CYS  46   4.941   1.221  -6.151
  378    HA   CYS  46           HA       CYS  46   7.693   1.305  -6.753
  379    HB2  CYS  46           1HB      CYS  46   7.108   0.903  -8.980
  380    HB3  CYS  46           2HB      CYS  46   5.768   0.196  -8.090
  381    H    GLU  47           H        GLU  47   8.923   2.875  -7.830
  382    HA   GLU  47           HA       GLU  47   8.543   5.497  -6.977
  383    HB2  GLU  47           1HB      GLU  47  10.722   4.549  -7.729
  384    HB3  GLU  47           2HB      GLU  47  10.154   4.650  -9.392
  385    HG2  GLU  47           1HG      GLU  47   9.915   7.081  -9.140
  386    HG3  GLU  47           2HG      GLU  47  10.544   6.960  -7.500
  387    H    ASN  48           H        ASN  48   7.430   3.889  -9.850
  388    HA   ASN  48           HA       ASN  48   6.682   6.048 -11.448
  389    HB2  ASN  48           1HB      ASN  48   5.819   3.218 -11.174
  390    HB3  ASN  48           2HB      ASN  48   4.731   4.302 -12.030
  391   HD21  ASN  48          1HD2      ASN  48   5.000   4.336 -14.125
  392   HD22  ASN  48          2HD2      ASN  48   6.497   4.072 -14.966
  393    H    CYS  49           H        CYS  49   4.984   4.531  -8.747
  394    HA   CYS  49           HA       CYS  49   2.728   6.327  -9.031
  395    HB2  CYS  49           1HB      CYS  49   3.398   4.273  -6.900
  396    HB3  CYS  49           2HB      CYS  49   1.980   5.316  -6.852
  397    H    SER  50           H        SER  50   5.764   6.229  -7.431
  398    HA   SER  50           HA       SER  50   5.076   7.944  -5.262
  399    HB2  SER  50           1HB      SER  50   7.808   7.155  -6.277
  400    HB3  SER  50           2HB      SER  50   7.433   7.852  -4.700
  401    HG   SER  50           HG       SER  50   6.596   5.332  -5.708
  402    H    PHE  51           H        PHE  51   6.775   8.428  -8.357
  403    HA   PHE  51           HA       PHE  51   7.386  11.141  -7.675
  404    HB2  PHE  51           1HB      PHE  51   8.302  11.301  -9.960
  405    HB3  PHE  51           2HB      PHE  51   8.964   9.978  -9.036
  406    HD1  PHE  51           HD1      PHE  51   5.816  10.157 -11.059
  407    HD2  PHE  51           HD2      PHE  51   9.684   8.454 -10.580
  408    HE1  PHE  51           HE1      PHE  51   5.393   8.666 -12.968
  409    HE2  PHE  51           HE2      PHE  51   9.265   6.953 -12.482
  410    HZ   PHE  51           HZ       PHE  51   7.117   7.061 -13.682
  411    H    GLY  52           H        GLY  52   4.683  10.791  -7.451
  412    HA2  GLY  52           2HA      GLY  52   3.770  12.970  -9.071
  413    HA3  GLY  52           1HA      GLY  52   3.006  11.445  -9.503
  414    H    LYS  53           H        LYS  53   1.618  13.669  -8.485
  415    HA   LYS  53           HA       LYS  53   1.187  13.603  -5.717
  416    HB2  LYS  53           1HB      LYS  53  -0.940  14.781  -6.221
  417    HB3  LYS  53           2HB      LYS  53   0.461  15.486  -7.015
  418    HG2  LYS  53           1HG      LYS  53  -0.175  14.251  -9.083
  419    HG3  LYS  53           2HG      LYS  53  -1.655  13.753  -8.264
  420    HD2  LYS  53           1HD      LYS  53  -2.367  16.031  -8.037
  421    HD3  LYS  53           2HD      LYS  53  -0.821  16.620  -8.653
  422    HE2  LYS  53           1HE      LYS  53  -1.293  15.501 -10.804
  423    HE3  LYS  53           2HE      LYS  53  -2.869  15.016 -10.177
  424    HZ1  LYS  53           3HZ      LYS  53  -3.607  16.926 -10.994
  425    HZ2  LYS  53           1HZ      LYS  53  -2.043  17.522 -11.270
  426    HZ3  LYS  53           2HZ      LYS  53  -2.770  17.712  -9.750
  427    H    GLN  54           H        GLN  54   0.392  11.294  -8.011
  428    HA   GLN  54           HA       GLN  54  -2.033  10.238  -7.093
  429    HB2  GLN  54           1HB      GLN  54   0.336   8.785  -8.274
  430    HB3  GLN  54           2HB      GLN  54  -1.281   8.118  -8.100
  431    HG2  GLN  54           1HG      GLN  54  -0.387  10.358  -9.883
  432    HG3  GLN  54           2HG      GLN  54  -1.049   8.791 -10.345
  433   HE21  GLN  54          1HE2      GLN  54  -1.780  11.858 -10.441
  434   HE22  GLN  54          2HE2      GLN  54  -3.491  11.823 -10.134
  435    H    ALA  55           H        ALA  55   1.285   9.724  -6.026
  436    HA   ALA  55           HA       ALA  55   0.805   7.612  -4.234
  437    HB1  ALA  55           3HB      ALA  55   2.930   9.361  -3.365
  438    HB2  ALA  55           1HB      ALA  55   3.006   7.705  -3.970
  439    HB3  ALA  55           2HB      ALA  55   2.999   9.061  -5.100
  440    H    LYS  56           H        LYS  56   0.513  11.086  -3.898
  441    HA   LYS  56           HA       LYS  56   0.379  11.200  -1.084
  442    HB2  LYS  56           1HB      LYS  56  -0.900  13.049  -3.103
  443    HB3  LYS  56           2HB      LYS  56  -0.651  13.401  -1.401
  444    HG2  LYS  56           1HG      LYS  56   1.562  12.881  -3.380
  445    HG3  LYS  56           2HG      LYS  56   0.991  14.481  -2.914
  446    HD2  LYS  56           1HD      LYS  56   2.832  14.196  -1.543
  447    HD3  LYS  56           2HD      LYS  56   1.512  13.680  -0.496
  448    HE2  LYS  56           1HE      LYS  56   2.005  11.366  -0.921
  449    HE3  LYS  56           2HE      LYS  56   3.199  11.800  -2.143
  450    HZ1  LYS  56           3HZ      LYS  56   4.179  13.096  -0.046
  451    HZ2  LYS  56           1HZ      LYS  56   4.594  11.495  -0.422
  452    HZ3  LYS  56           2HZ      LYS  56   3.421  11.813   0.760
  453    H    ASN  57           H        ASN  57  -1.914  10.401  -3.547
  454    HA   ASN  57           HA       ASN  57  -4.217  10.504  -1.810
  455    HB2  ASN  57           1HB      ASN  57  -3.879   9.200  -4.520
  456    HB3  ASN  57           2HB      ASN  57  -5.404   9.418  -3.669
  457   HD21  ASN  57          1HD2      ASN  57  -3.468  10.613  -6.003
  458   HD22  ASN  57          2HD2      ASN  57  -4.088  12.230  -6.097
  459    H    CYS  58           H        CYS  58  -5.153   8.841  -0.783
  460    HA   CYS  58           HA       CYS  58  -3.679   6.748   0.245
  461    HB2  CYS  58           1HB      CYS  58  -5.648   7.443   1.338
  462    HB3  CYS  58           2HB      CYS  58  -6.624   7.205  -0.104
  463    H    ILE  59           H        ILE  59  -3.012   4.898  -0.504
  464    HA   ILE  59           HA       ILE  59  -3.337   4.242  -3.200
  465    HB   ILE  59           HB       ILE  59  -2.050   2.176  -2.644
  466   HG12  ILE  59          1HG1      ILE  59  -2.269   3.298   0.160
  467   HG13  ILE  59          2HG1      ILE  59  -2.867   1.740  -0.402
  468   HG21  ILE  59          1HG2      ILE  59  -1.283   4.894  -2.526
  469   HG22  ILE  59          2HG2      ILE  59  -0.348   4.024  -1.309
  470   HG23  ILE  59          3HG2      ILE  59  -0.307   3.501  -2.993
  471   HD11  ILE  59          3HD1      ILE  59  -0.066   1.936  -0.937
  472   HD12  ILE  59          1HD1      ILE  59  -0.380   2.325   0.758
  473   HD13  ILE  59          2HD1      ILE  59  -0.934   0.788   0.082
  474    H    ILE  60           H        ILE  60  -5.057   3.136  -0.391
  475    HA   ILE  60           HA       ILE  60  -6.029   0.743  -1.577
  476    HB   ILE  60           HB       ILE  60  -6.989   2.219   0.874
  477   HG12  ILE  60          1HG1      ILE  60  -5.203  -0.196   0.491
  478   HG13  ILE  60          2HG1      ILE  60  -4.698   1.394   1.052
  479   HG21  ILE  60          1HG2      ILE  60  -7.570  -0.663   0.364
  480   HG22  ILE  60          2HG2      ILE  60  -8.440   0.503   1.360
  481   HG23  ILE  60          3HG2      ILE  60  -8.586   0.561  -0.397
  482   HD11  ILE  60          3HD1      ILE  60  -6.826   0.082   2.608
  483   HD12  ILE  60          1HD1      ILE  60  -5.223  -0.653   2.680
  484   HD13  ILE  60          2HD1      ILE  60  -5.441   1.036   3.142
  485    H    CYS  61           H        CYS  61  -7.506   3.985  -1.169
  486    HA   CYS  61           HA       CYS  61  -9.759   2.957  -2.743
  487    HB2  CYS  61           1HB      CYS  61 -11.040   4.939  -2.005
  488    HB3  CYS  61           2HB      CYS  61 -10.547   3.890  -0.679
  489    H    ASN  62           H        ASN  62  -6.985   4.705  -3.121
  490    HA   ASN  62           HA       ASN  62  -6.207   6.261  -4.588
  491    HB2  ASN  62           1HB      ASN  62  -6.686   5.723  -6.966
  492    HB3  ASN  62           2HB      ASN  62  -6.180   4.338  -6.015
  493   HD21  ASN  62          1HD2      ASN  62  -8.666   5.737  -7.916
  494   HD22  ASN  62          2HD2      ASN  62  -9.739   4.387  -7.898
  495    H    LEU  63           H        LEU  63  -8.166   7.483  -3.212
  496    HA   LEU  63           HA       LEU  63  -9.232   9.330  -5.189
  497    HB2  LEU  63           1HB      LEU  63 -10.787   7.242  -4.303
  498    HB3  LEU  63           2HB      LEU  63 -11.240   8.529  -3.206
  499    HG   LEU  63           HG       LEU  63 -12.812   8.622  -4.938
  500   HD11  LEU  63          1HD1      LEU  63 -12.009  10.692  -6.325
  501   HD12  LEU  63          2HD1      LEU  63 -12.338  10.832  -4.598
  502   HD13  LEU  63          3HD1      LEU  63 -10.675  10.682  -5.169
  503   HD21  LEU  63          3HD2      LEU  63 -12.453   8.180  -7.152
  504   HD22  LEU  63          1HD2      LEU  63 -10.785   8.760  -7.113
  505   HD23  LEU  63          2HD2      LEU  63 -11.193   7.191  -6.412
  506    H    ASN  64           H        ASN  64  -9.686   8.489  -1.765
  507    HA   ASN  64           HA       ASN  64  -9.547  11.236  -0.931
  508    HB2  ASN  64           1HB      ASN  64  -9.545   8.672   0.681
  509    HB3  ASN  64           2HB      ASN  64  -9.670  10.290   1.365
  510   HD21  ASN  64          1HD2      ASN  64 -11.412   7.665   0.467
  511   HD22  ASN  64          2HD2      ASN  64 -12.950   8.414   0.182
  512    H    VAL  65           H        VAL  65  -7.842  12.272   0.097
  513    HA   VAL  65           HA       VAL  65  -5.262  11.412  -0.648
  514    HB   VAL  65           HB       VAL  65  -5.981  13.802  -0.370
  515   HG11  VAL  65          1HG1      VAL  65  -6.266  12.871   2.334
  516   HG12  VAL  65          2HG1      VAL  65  -5.227  14.294   2.245
  517   HG13  VAL  65          3HG1      VAL  65  -6.862  14.351   1.582
  518   HG21  VAL  65          3HG2      VAL  65  -3.477  13.199   1.179
  519   HG22  VAL  65          1HG2      VAL  65  -3.593  12.935  -0.562
  520   HG23  VAL  65          2HG2      VAL  65  -3.806  14.556   0.100
  521    H    GLY  66           H        GLY  66  -3.602  10.507   0.500
  522    HA2  GLY  66           2HA      GLY  66  -4.450   8.996   2.825
  523    HA3  GLY  66           1HA      GLY  66  -2.946   8.804   1.946
  524    H    VAL  67           H        VAL  67  -3.567   9.055   4.840
  525    HA   VAL  67           HA       VAL  67  -1.858  11.378   5.414
  526    HB   VAL  67           HB       VAL  67  -2.835  11.300   7.732
  527   HG11  VAL  67          1HG1      VAL  67  -5.235  11.970   6.417
  528   HG12  VAL  67          2HG1      VAL  67  -3.943  13.052   6.937
  529   HG13  VAL  67          3HG1      VAL  67  -3.919  12.367   5.312
  530   HG21  VAL  67          3HG2      VAL  67  -4.253   9.052   6.563
  531   HG22  VAL  67          1HG2      VAL  67  -4.057   9.511   8.255
  532   HG23  VAL  67          2HG2      VAL  67  -5.343  10.234   7.289
  533    H    ASN  68           H        ASN  68  -2.524   7.983   6.195
  534    HA   ASN  68           HA       ASN  68   0.030   7.918   7.669
  535    HB2  ASN  68           1HB      ASN  68  -2.270   5.957   7.694
  536    HB3  ASN  68           2HB      ASN  68  -0.752   5.734   8.560
  537   HD21  ASN  68          1HD2      ASN  68  -3.743   6.308   9.195
  538   HD22  ASN  68          2HD2      ASN  68  -3.646   7.519  10.440
  539    H    ASP  69           H        ASP  69   0.812   5.416   7.499
  540    HA   ASP  69           HA       ASP  69   1.275   5.007   4.606
  541    HB2  ASP  69           1HB      ASP  69   2.962   4.218   6.999
  542    HB3  ASP  69           2HB      ASP  69   3.292   3.701   5.352
  543    H    ALA  70           H        ALA  70   0.943   2.997   3.728
  544    HA   ALA  70           HA       ALA  70  -0.812   1.245   5.204
  545    HB1  ALA  70           3HB      ALA  70  -1.555   0.978   3.126
  546    HB2  ALA  70           1HB      ALA  70  -0.070   1.630   2.431
  547    HB3  ALA  70           2HB      ALA  70  -0.158  -0.075   2.883
  548    H    PHE  71           H        PHE  71  -0.426  -0.950   5.629
  549    HA   PHE  71           HA       PHE  71   2.398  -1.755   5.589
  550    HB2  PHE  71           1HB      PHE  71   0.417  -2.072   7.847
  551    HB3  PHE  71           2HB      PHE  71   1.891  -3.019   7.740
  552    HD1  PHE  71           HD1      PHE  71   0.864   0.581   7.595
  553    HD2  PHE  71           HD2      PHE  71   3.656  -2.312   8.984
  554    HE1  PHE  71           HE1      PHE  71   2.088   2.341   8.796
  555    HE2  PHE  71           HE2      PHE  71   4.880  -0.557  10.190
  556    HZ   PHE  71           HZ       PHE  71   4.097   1.775  10.098
  557    H    TYR  72           H        TYR  72   2.779  -3.770   4.905
  558    HA   TYR  72           HA       TYR  72   0.673  -5.435   3.855
  559    HB2  TYR  72           1HB      TYR  72   3.578  -6.101   4.421
  560    HB3  TYR  72           2HB      TYR  72   2.454  -7.125   3.539
  561    HD1  TYR  72           HD2      TYR  72   1.255  -5.747   1.504
  562    HD2  TYR  72           HD1      TYR  72   5.098  -4.969   3.145
  563    HE1  TYR  72           HE2      TYR  72   1.937  -4.679  -0.607
  564    HE2  TYR  72           HE1      TYR  72   5.793  -3.911   1.046
  565    HH   TYR  72           HH       TYR  72   3.990  -4.133  -1.833
  566    H    CYS  73           H        CYS  73  -0.491  -6.869   5.001
  567    HA   CYS  73           HA       CYS  73  -0.182  -7.007   7.807
  568    HB2  CYS  73           1HB      CYS  73  -2.136  -8.318   7.845
  569    HB3  CYS  73           2HB      CYS  73  -2.350  -7.232   6.477
  570    H    TRP  74           H        TRP  74  -0.010  -8.999   9.055
  571    HA   TRP  74           HA       TRP  74   2.361 -10.358   8.699
  572    HB2  TRP  74           1HB      TRP  74   1.156 -10.264  10.832
  573    HB3  TRP  74           2HB      TRP  74  -0.126 -11.269  10.167
  574    HD1  TRP  74           HD1      TRP  74   3.733 -11.783  10.246
  575    HE1  TRP  74           HE1      TRP  74   4.197 -14.142  11.181
  576    HE3  TRP  74           HE3      TRP  74  -1.082 -13.228  11.148
  577    HZ2  TRP  74           HZ2      TRP  74   2.690 -16.323  12.174
  578    HZ3  TRP  74           HZ3      TRP  74  -1.487 -15.462  12.094
  579    HH2  TRP  74           HH2      TRP  74   0.359 -16.979  12.594
  580    H    GLU  75           H        GLU  75  -0.895 -11.331   7.725
  581    HA   GLU  75           HA       GLU  75  -0.349 -13.930   6.871
  582    HB2  GLU  75           1HB      GLU  75  -2.348 -11.985   5.703
  583    HB3  GLU  75           2HB      GLU  75  -2.391 -13.735   5.544
  584    HG2  GLU  75           1HG      GLU  75  -2.515 -12.361   8.205
  585    HG3  GLU  75           2HG      GLU  75  -3.950 -12.689   7.236
  586    H    CYS  76           H        CYS  76  -0.550 -10.965   4.899
  587    HA   CYS  76           HA       CYS  76   0.307 -12.161   2.506
  588    HB2  CYS  76           1HB      CYS  76   0.354  -9.281   3.405
  589    HB3  CYS  76           2HB      CYS  76   0.813  -9.792   1.784
  590    H    CYS  77           H        CYS  77   2.113 -10.544   5.084
  591    HA   CYS  77           HA       CYS  77   4.588 -10.476   3.724
  592    HB2  CYS  77           1HB      CYS  77   4.013  -9.153   5.774
  593    HB3  CYS  77           2HB      CYS  77   4.168 -10.632   6.713
  594    HG   CYS  77           HG       CYS  77   6.813  -9.735   4.802
  595    H    ARG  78           H        ARG  78   3.117 -12.886   5.875
  596    HA   ARG  78           HA       ARG  78   5.342 -14.627   5.999
  597    HB2  ARG  78           1HB      ARG  78   3.416 -14.766   7.544
  598    HB3  ARG  78           2HB      ARG  78   2.400 -15.300   6.211
  599    HG2  ARG  78           1HG      ARG  78   3.862 -17.277   5.942
  600    HG3  ARG  78           2HG      ARG  78   4.767 -16.759   7.363
  601    HD2  ARG  78           1HD      ARG  78   3.184 -18.451   7.998
  602    HD3  ARG  78           2HD      ARG  78   2.692 -16.908   8.694
  603    HE   ARG  78           HE       ARG  78   1.382 -18.340   6.487
  604   HH11  ARG  78          2HH1      ARG  78   1.388 -15.716   8.811
  605   HH12  ARG  78          1HH1      ARG  78  -0.268 -15.274   8.507
  606   HH21  ARG  78          2HH2      ARG  78  -0.799 -17.764   6.107
  607   HH22  ARG  78          1HH2      ARG  78  -1.491 -16.422   6.974
  608    H    LEU  79           H        LEU  79   2.534 -14.475   3.848
  609    HA   LEU  79           HA       LEU  79   3.200 -16.755   2.304
  610    HB2  LEU  79           1HB      LEU  79   1.583 -14.334   1.498
  611    HB3  LEU  79           2HB      LEU  79   1.595 -15.883   0.675
  612    HG   LEU  79           HG       LEU  79   0.542 -15.341   3.451
  613   HD11  LEU  79          1HD1      LEU  79  -1.294 -16.513   1.573
  614   HD12  LEU  79          2HD1      LEU  79  -1.444 -15.032   2.522
  615   HD13  LEU  79          3HD1      LEU  79  -0.642 -14.997   0.951
  616   HD21  LEU  79          3HD2      LEU  79   1.098 -17.870   1.978
  617   HD22  LEU  79          1HD2      LEU  79   1.269 -17.501   3.695
  618   HD23  LEU  79          2HD2      LEU  79  -0.332 -17.780   3.007
  619    H    GLY  80           H        GLY  80   3.985 -13.343   2.058
  620    HA2  GLY  80           2HA      GLY  80   6.178 -12.742   1.222
  621    HA3  GLY  80           1HA      GLY  80   6.024 -14.038   0.044
  622    H    LYS  81           H        LYS  81   3.363 -11.898   0.750
  623    HA   LYS  81           HA       LYS  81   3.414 -10.965  -1.996
  624    HB2  LYS  81           1HB      LYS  81   1.384 -10.848   0.209
  625    HB3  LYS  81           2HB      LYS  81   1.214  -9.856  -1.236
  626    HG2  LYS  81           1HG      LYS  81   1.234 -11.845  -2.630
  627    HG3  LYS  81           2HG      LYS  81   1.462 -12.857  -1.202
  628    HD2  LYS  81           1HD      LYS  81  -0.688 -12.448  -0.421
  629    HD3  LYS  81           2HD      LYS  81  -0.872 -10.995  -1.405
  630    HE2  LYS  81           1HE      LYS  81  -0.703 -13.805  -2.481
  631    HE3  LYS  81           2HE      LYS  81  -2.197 -12.900  -2.243
  632    HZ1  LYS  81           3HZ      LYS  81  -1.319 -12.845  -4.547
  633    HZ2  LYS  81           1HZ      LYS  81   0.022 -11.967  -3.989
  634    HZ3  LYS  81           2HZ      LYS  81  -1.537 -11.313  -3.860
  635    H    ASP  82           H        ASP  82   4.753 -10.044   0.825
  636    HA   ASP  82           HA       ASP  82   4.565  -7.183   0.584
  637    HB2  ASP  82           1HB      ASP  82   6.615  -7.200   2.045
  638    HB3  ASP  82           2HB      ASP  82   5.222  -8.016   2.734
  639    H    LYS  83           H        LYS  83   6.410  -9.784  -0.742
  640    HA   LYS  83           HA       LYS  83   8.158  -7.974  -2.231
  641    HB2  LYS  83           1HB      LYS  83   8.102 -10.983  -1.960
  642    HB3  LYS  83           2HB      LYS  83   9.239 -10.109  -2.975
  643    HG2  LYS  83           1HG      LYS  83   8.999  -9.611  -0.027
  644    HG3  LYS  83           2HG      LYS  83  10.069 -10.837  -0.706
  645    HD2  LYS  83           1HD      LYS  83  10.167  -7.992  -1.652
  646    HD3  LYS  83           2HD      LYS  83  11.027  -8.494  -0.197
  647    HE2  LYS  83           1HE      LYS  83  12.569  -8.606  -2.007
  648    HE3  LYS  83           2HE      LYS  83  12.150 -10.259  -1.569
  649    HZ1  LYS  83           3HZ      LYS  83  10.819 -10.493  -3.474
  650    HZ2  LYS  83           1HZ      LYS  83  12.220  -9.708  -4.018
  651    HZ3  LYS  83           2HZ      LYS  83  10.794  -8.824  -3.782
  652    H    ASP  84           H        ASP  84   5.099  -8.876  -2.640
  653    HA   ASP  84           HA       ASP  84   5.109 -10.023  -5.252
  654    HB2  ASP  84           1HB      ASP  84   3.144  -9.452  -3.312
  655    HB3  ASP  84           2HB      ASP  84   2.687  -8.535  -4.745
  656    H    GLY  85           H        GLY  85   4.192  -6.737  -4.174
  657    HA2  GLY  85           2HA      GLY  85   5.885  -5.325  -5.750
  658    HA3  GLY  85           1HA      GLY  85   4.539  -5.666  -6.824
  659    H    CYS  86           H        CYS  86   4.307  -3.413  -6.969
  660    HA   CYS  86           HA       CYS  86   3.720  -1.675  -4.849
  661    HB2  CYS  86           1HB      CYS  86   4.493  -1.100  -7.164
  662    HB3  CYS  86           2HB      CYS  86   2.881  -1.483  -7.746
  663    HA   PRO  87           HA       PRO  87  -0.452  -3.170  -4.161
  664    HB2  PRO  87           1HB      PRO  87  -0.735  -2.222  -1.690
  665    HB3  PRO  87           2HB      PRO  87   0.379  -3.550  -2.037
  666    HG2  PRO  87           1HG      PRO  87   0.963  -0.647  -1.616
  667    HG3  PRO  87           2HG      PRO  87   1.845  -2.065  -1.022
  668    HD2  PRO  87           1HD      PRO  87   2.551  -0.583  -3.249
  669    HD3  PRO  87           2HD      PRO  87   3.049  -2.258  -2.947
  670    H    ARG  88           H        ARG  88  -0.229  -0.810  -5.782
  671    HA   ARG  88           HA       ARG  88  -2.115   1.066  -4.581
  672    HB2  ARG  88           1HB      ARG  88  -0.576   1.064  -7.157
  673    HB3  ARG  88           2HB      ARG  88  -1.947   2.139  -6.930
  674    HG2  ARG  88           1HG      ARG  88  -0.408   2.495  -4.651
  675    HG3  ARG  88           2HG      ARG  88   0.760   2.375  -5.972
  676    HD2  ARG  88           1HD      ARG  88   0.226   4.650  -5.885
  677    HD3  ARG  88           2HD      ARG  88  -0.752   4.025  -7.212
  678    HE   ARG  88           HE       ARG  88  -2.109   4.042  -4.680
  679   HH11  ARG  88          2HH1      ARG  88  -1.465   5.799  -7.626
  680   HH12  ARG  88          1HH1      ARG  88  -2.683   7.003  -7.325
  681   HH21  ARG  88          2HH2      ARG  88  -3.718   5.646  -4.274
  682   HH22  ARG  88          1HH2      ARG  88  -3.929   6.937  -5.419
  683    H    ILE  89           H        ILE  89  -4.242   1.046  -4.943
  684    HA   ILE  89           HA       ILE  89  -5.370  -0.996  -6.681
  685    HB   ILE  89           HB       ILE  89  -6.695   1.039  -4.878
  686   HG12  ILE  89          1HG1      ILE  89  -5.436  -0.700  -3.671
  687   HG13  ILE  89          2HG1      ILE  89  -7.170  -0.866  -3.421
  688   HG21  ILE  89          1HG2      ILE  89  -8.345   0.631  -6.427
  689   HG22  ILE  89          2HG2      ILE  89  -7.813  -1.025  -6.716
  690   HG23  ILE  89          3HG2      ILE  89  -8.666  -0.620  -5.226
  691   HD11  ILE  89          3HD1      ILE  89  -7.266  -2.712  -4.945
  692   HD12  ILE  89          1HD1      ILE  89  -5.572  -2.487  -5.385
  693   HD13  ILE  89          2HD1      ILE  89  -5.997  -3.011  -3.756
  694    H    LEU  90           H        LEU  90  -5.594  -0.553  -8.765
  695    HA   LEU  90           HA       LEU  90  -5.527   2.151  -9.701
  696    HB2  LEU  90           1HB      LEU  90  -5.869  -0.359 -11.329
  697    HB3  LEU  90           2HB      LEU  90  -5.402   1.218 -11.924
  698    HG   LEU  90           HG       LEU  90  -3.774  -0.702 -10.281
  699   HD11  LEU  90          1HD1      LEU  90  -3.037  -1.247 -12.300
  700   HD12  LEU  90          2HD1      LEU  90  -3.911   0.087 -13.051
  701   HD13  LEU  90          3HD1      LEU  90  -2.299   0.352 -12.384
  702   HD21  LEU  90          3HD2      LEU  90  -3.135   2.187 -10.857
  703   HD22  LEU  90          1HD2      LEU  90  -3.465   1.482  -9.274
  704   HD23  LEU  90          2HD2      LEU  90  -2.023   0.999 -10.170
  705    H    ASN  91           H        ASN  91  -7.938  -0.489  -9.899
  706    HA   ASN  91           HA       ASN  91  -9.738   0.875 -11.504
  707    HB2  ASN  91           1HB      ASN  91 -11.509  -0.694 -10.540
  708    HB3  ASN  91           2HB      ASN  91 -10.132  -1.432 -11.335
  709   HD21  ASN  91          1HD2      ASN  91 -10.395  -3.400 -10.296
  710   HD22  ASN  91          2HD2      ASN  91 -10.103  -3.614  -8.608
  711    H    LEU  92           H        LEU  92 -10.317   0.325  -8.038
  712    HA   LEU  92           HA       LEU  92 -10.665   2.951  -7.260
  713    HB2  LEU  92           1HB      LEU  92 -12.591   2.974  -8.810
  714    HB3  LEU  92           2HB      LEU  92 -13.293   1.619  -7.946
  715    HG   LEU  92           HG       LEU  92 -13.483   3.025  -5.925
  716   HD11  LEU  92          1HD1      LEU  92 -11.982   4.894  -7.634
  717   HD12  LEU  92          2HD1      LEU  92 -13.293   5.596  -6.688
  718   HD13  LEU  92          3HD1      LEU  92 -11.996   4.718  -5.879
  719   HD21  LEU  92          3HD2      LEU  92 -15.365   4.278  -6.649
  720   HD22  LEU  92          1HD2      LEU  92 -14.745   4.375  -8.296
  721   HD23  LEU  92          2HD2      LEU  92 -15.295   2.829  -7.652
  722    H    GLY  93           H        GLY  93 -10.762   2.980  -5.092
  723    HA2  GLY  93           2HA      GLY  93 -10.360   0.659  -3.632
  724    HA3  GLY  93           1HA      GLY  93 -10.802   2.209  -2.939
  725    H    SER  94           H        SER  94 -11.564  -0.459  -2.110
  726    HA   SER  94           HA       SER  94 -14.265  -0.970  -2.849
  727    HB2  SER  94           1HB      SER  94 -12.769  -1.923  -0.401
  728    HB3  SER  94           2HB      SER  94 -14.210  -2.653  -1.106
  729    HG   SER  94           HG       SER  94 -12.297  -2.401  -2.980
  730    H    ASN  95           H        ASN  95 -14.249   1.667  -2.239
  731    HA   ASN  95           HA       ASN  95 -15.100   2.290   0.413
  732    HB2  ASN  95           1HB      ASN  95 -15.730   3.720  -2.186
  733    HB3  ASN  95           2HB      ASN  95 -15.926   4.384  -0.569
  734   HD21  ASN  95          1HD2      ASN  95 -13.988   4.345  -3.202
  735   HD22  ASN  95          2HD2      ASN  95 -12.498   4.829  -2.475
  736    H    ARG  96           H        ARG  96 -16.657   1.382  -2.580
  737    HA   ARG  96           HA       ARG  96 -19.143   0.884  -1.110
  738    HB2  ARG  96           1HB      ARG  96 -20.191   0.864  -3.459
  739    HB3  ARG  96           2HB      ARG  96 -19.787   2.414  -2.740
  740    HG2  ARG  96           1HG      ARG  96 -19.068   2.625  -4.927
  741    HG3  ARG  96           2HG      ARG  96 -17.589   2.220  -4.052
  742    HD2  ARG  96           1HD      ARG  96 -17.764  -0.082  -4.744
  743    HD3  ARG  96           2HD      ARG  96 -19.317   0.230  -5.512
  744    HE   ARG  96           HE       ARG  96 -16.782   0.569  -6.688
  745   HH11  ARG  96          2HH1      ARG  96 -19.907   2.168  -6.482
  746   HH12  ARG  96          1HH1      ARG  96 -19.711   3.026  -7.982
  747   HH21  ARG  96          2HH2      ARG  96 -16.536   1.682  -8.669
  748   HH22  ARG  96          1HH2      ARG  96 -17.782   2.774  -9.207
  749    H    LEU  97           H        LEU  97 -20.148  -0.768  -3.352
  750    HA   LEU  97           HA       LEU  97 -20.222  -2.961  -3.961
  751    HB2  LEU  97           1HB      LEU  97 -17.262  -2.925  -3.340
  752    HB3  LEU  97           2HB      LEU  97 -18.111  -4.299  -4.021
  753    HG   LEU  97           HG       LEU  97 -17.871  -1.602  -5.358
  754   HD11  LEU  97          1HD1      LEU  97 -16.534  -3.624  -6.794
  755   HD12  LEU  97          2HD1      LEU  97 -15.840  -2.210  -6.001
  756   HD13  LEU  97          3HD1      LEU  97 -15.986  -3.732  -5.121
  757   HD21  LEU  97          3HD2      LEU  97 -19.341  -2.335  -6.850
  758   HD22  LEU  97          1HD2      LEU  97 -18.440  -3.835  -7.071
  759   HD23  LEU  97          2HD2      LEU  97 -19.652  -3.715  -5.796
  760    H    ASP  98           H        ASP  98 -20.743  -1.995  -1.335
  761    HA   ASP  98           HA       ASP  98 -19.792  -4.031   0.498
  762    HB2  ASP  98           1HB      ASP  98 -20.791  -2.763   2.230
  763    HB3  ASP  98           2HB      ASP  98 -20.122  -1.576   1.119
  764    H    ARG  99           H        ARG  99 -22.602  -3.240  -1.360
  765    HA   ARG  99           HA       ARG  99 -24.445  -4.893  -0.033
  766    HB2  ARG  99           1HB      ARG  99 -25.810  -4.696  -2.089
  767    HB3  ARG  99           2HB      ARG  99 -25.254  -3.152  -1.463
  768    HG2  ARG  99           1HG      ARG  99 -23.471  -3.129  -3.132
  769    HG3  ARG  99           2HG      ARG  99 -24.061  -4.663  -3.765
  770    HD2  ARG  99           1HD      ARG  99 -26.230  -3.585  -4.261
  771    HD3  ARG  99           2HD      ARG  99 -25.567  -2.050  -3.701
  772    HE   ARG  99           HE       ARG  99 -23.877  -3.074  -5.686
  773   HH11  ARG  99          2HH1      ARG  99 -27.064  -1.655  -5.333
  774   HH12  ARG  99          1HH1      ARG  99 -27.152  -1.143  -6.996
  775   HH21  ARG  99          2HH2      ARG  99 -23.983  -2.378  -7.851
  776   HH22  ARG  99          1HH2      ARG  99 -25.396  -1.536  -8.415
  777    H    HIS 100           H        HIS 100 -24.626  -7.004   0.040
  778    HA   HIS 100           HA       HIS 100 -22.899  -8.665  -1.556
  779    HB2  HIS 100           1HB      HIS 100 -24.943  -9.252   0.584
  780    HB3  HIS 100           2HB      HIS 100 -24.101 -10.529  -0.288
  781    HD1  HIS 100           HD1      HIS 100 -21.389 -10.448  -0.047
  782    HD2  HIS 100           HD2      HIS 100 -23.597  -8.278   2.738
  783    HE1  HIS 100           HE1      HIS 100 -19.810  -9.966   1.852
  784    HE2  HIS 100           HE2      HIS 100 -21.138  -8.584   3.491
  785    H    PHE 101           H        PHE 101 -23.819  -8.002  -3.616
  786    HA   PHE 101           HA       PHE 101 -26.502  -8.750  -4.283
  787    HB2  PHE 101           1HB      PHE 101 -25.581  -8.279  -6.679
  788    HB3  PHE 101           2HB      PHE 101 -25.778  -6.949  -5.546
  789    HD1  PHE 101           HD2      PHE 101 -23.073  -9.495  -6.033
  790    HD2  PHE 101           HD1      PHE 101 -24.153  -5.381  -5.886
  791    HE1  PHE 101           HE2      PHE 101 -20.716  -8.869  -6.347
  792    HE2  PHE 101           HE1      PHE 101 -21.795  -4.749  -6.191
  793    HZ   PHE 101           HZ       PHE 101 -20.073  -6.494  -6.428
  794    H    GLU 102           H        GLU 102 -25.350 -10.952  -3.222
  795    HA   GLU 102           HA       GLU 102 -24.173 -12.735  -5.080
  796    HB2  GLU 102           1HB      GLU 102 -23.996 -12.985  -2.633
  797    HB3  GLU 102           2HB      GLU 102 -25.718 -13.318  -2.545
  798    HG2  GLU 102           1HG      GLU 102 -25.351 -15.323  -3.952
  799    HG3  GLU 102           2HG      GLU 102 -23.617 -15.008  -3.876
  800    H    LYS 103           H        LYS 103 -27.470 -12.090  -4.083
  801    HA   LYS 103           HA       LYS 103 -28.744 -14.291  -5.136
  802    HB2  LYS 103           1HB      LYS 103 -30.743 -12.622  -5.353
  803    HB3  LYS 103           2HB      LYS 103 -30.103 -13.042  -3.772
  804    HG2  LYS 103           1HG      LYS 103 -30.360 -10.755  -3.625
  805    HG3  LYS 103           2HG      LYS 103 -28.655 -10.919  -4.044
  806    HD2  LYS 103           1HD      LYS 103 -29.236 -10.502  -6.410
  807    HD3  LYS 103           2HD      LYS 103 -30.917 -10.263  -5.931
  808    HE2  LYS 103           1HE      LYS 103 -28.562  -8.622  -5.009
  809    HE3  LYS 103           2HE      LYS 103 -29.760  -8.129  -6.203
  810    HZ1  LYS 103           3HZ      LYS 103 -30.922  -7.296  -4.528
  811    HZ2  LYS 103           1HZ      LYS 103 -29.883  -7.975  -3.372
  812    HZ3  LYS 103           2HZ      LYS 103 -31.195  -8.872  -3.968
  813    H    LYS 104           H        LYS 104 -29.502 -14.939  -7.022
  814    HA   LYS 104           HA       LYS 104 -29.895 -15.153  -9.218
  815    HB2  LYS 104           1HB      LYS 104 -29.973 -12.160  -9.056
  816    HB3  LYS 104           2HB      LYS 104 -30.153 -12.997 -10.592
  817    HG2  LYS 104           1HG      LYS 104 -32.049 -14.271  -9.588
  818    HG3  LYS 104           2HG      LYS 104 -31.919 -13.228  -8.169
  819    HD2  LYS 104           1HD      LYS 104 -32.446 -11.287  -9.456
  820    HD3  LYS 104           2HD      LYS 104 -32.328 -12.191 -10.968
  821    HE2  LYS 104           1HE      LYS 104 -34.651 -11.843 -10.404
  822    HE3  LYS 104           2HE      LYS 104 -34.257 -13.556 -10.276
  823    HZ1  LYS 104           3HZ      LYS 104 -35.629 -12.454  -8.427
  824    HZ2  LYS 104           1HZ      LYS 104 -34.151 -11.812  -7.899
  825    HZ3  LYS 104           2HZ      LYS 104 -34.364 -13.496  -7.979
  826    H    LYS 105           H        LYS 105 -27.505 -12.503  -8.941
  827    HA   LYS 105           HA       LYS 105 -25.440 -14.002 -10.231
  828    HB2  LYS 105           1HB      LYS 105 -26.898 -13.575 -12.172
  829    HB3  LYS 105           2HB      LYS 105 -26.856 -11.853 -11.829
  830    HG2  LYS 105           1HG      LYS 105 -24.458 -11.819 -12.289
  831    HG3  LYS 105           2HG      LYS 105 -24.505 -13.550 -12.637
  832    HD2  LYS 105           1HD      LYS 105 -26.057 -13.152 -14.477
  833    HD3  LYS 105           2HD      LYS 105 -26.059 -11.425 -14.113
  834    HE2  LYS 105           1HE      LYS 105 -23.673 -11.312 -14.619
  835    HE3  LYS 105           2HE      LYS 105 -23.659 -13.043 -14.959
  836    HZ1  LYS 105           3HZ      LYS 105 -25.678 -11.859 -16.502
  837    HZ2  LYS 105           1HZ      LYS 105 -24.252 -12.610 -17.027
  838    HZ3  LYS 105           2HZ      LYS 105 -24.260 -10.945 -16.706
  839    H    LYS 106           H        LYS 106 -23.738 -13.246  -9.144
  840    HA   LYS 106           HA       LYS 106 -23.808 -10.669  -7.943
  841    HB2  LYS 106           1HB      LYS 106 -21.797 -11.238  -6.804
  842    HB3  LYS 106           2HB      LYS 106 -22.803 -12.675  -6.835
  843    HG2  LYS 106           1HG      LYS 106 -20.545 -12.172  -8.760
  844    HG3  LYS 106           2HG      LYS 106 -20.374 -13.066  -7.250
  845    HD2  LYS 106           1HD      LYS 106 -22.061 -14.674  -8.033
  846    HD3  LYS 106           2HD      LYS 106 -22.181 -13.789  -9.557
  847    HE2  LYS 106           1HE      LYS 106 -19.790 -14.218  -9.959
  848    HE3  LYS 106           2HE      LYS 106 -19.723 -15.160  -8.471
  849    HZ1  LYS 106           3HZ      LYS 106 -21.351 -16.683  -9.415
  850    HZ2  LYS 106           1HZ      LYS 106 -19.967 -16.582 -10.394
  851    HZ3  LYS 106           2HZ      LYS 106 -21.389 -15.778 -10.850
  852    H    VAL 107           H        VAL 107 -22.292 -12.002 -10.698
  853    HA   VAL 107           HA       VAL 107 -21.582  -9.371 -11.642
  854    HB   VAL 107           HB       VAL 107 -19.267 -10.082 -12.342
  855   HG11  VAL 107          1HG1      VAL 107 -18.315  -9.862  -9.933
  856   HG12  VAL 107          2HG1      VAL 107 -19.205  -8.519 -10.655
  857   HG13  VAL 107          3HG1      VAL 107 -20.002  -9.583  -9.495
  858   HG21  VAL 107          3HG2      VAL 107 -18.576 -11.889 -10.350
  859   HG22  VAL 107          1HG2      VAL 107 -20.091 -12.510 -11.009
  860   HG23  VAL 107          2HG2      VAL 107 -18.716 -12.219 -12.077
  Start of MODEL    6
    1    H1   GLY  -1           1H       GLY  -1  -9.570  -4.061  -3.881
    2    H2   GLY  -1           2H       GLY  -1 -10.552  -3.599  -2.580
    3    H3   GLY  -1           3H       GLY  -1 -10.911  -3.053  -4.145
    4    HA2  GLY  -1           1HA      GLY  -1 -11.149  -5.485  -4.769
    5    HA3  GLY  -1           2HA      GLY  -1 -11.188  -5.778  -3.038
    6    H    GLY   0           H        GLY   0 -13.239  -6.341  -2.666
    7    HA2  GLY   0           2HA      GLY   0 -15.288  -4.367  -2.755
    8    HA3  GLY   0           1HA      GLY   0 -15.500  -5.561  -4.029
    9    H    SER   1           H        SER   1 -17.344  -5.192  -1.975
   10    HA   SER   1           HA       SER   1 -16.947  -7.053   0.149
   11    HB2  SER   1           1HB      SER   1 -19.515  -5.775  -0.818
   12    HB3  SER   1           2HB      SER   1 -19.250  -6.530   0.755
   13    HG   SER   1           HG       SER   1 -17.336  -4.768   0.488
   14    H    SER   2           H        SER   2 -16.441  -8.455  -2.131
   15    HA   SER   2           HA       SER   2 -18.242 -10.660  -1.848
   16    HB2  SER   2           1HB      SER   2 -18.032  -9.323  -4.567
   17    HB3  SER   2           2HB      SER   2 -18.812 -10.872  -4.249
   18    HG   SER   2           HG       SER   2 -19.721  -8.884  -2.616
   19    H    ARG   3           H        ARG   3 -15.841  -9.259  -4.041
   20    HA   ARG   3           HA       ARG   3 -13.997 -10.146  -5.051
   21    HB2  ARG   3           1HB      ARG   3 -12.218 -10.535  -3.429
   22    HB3  ARG   3           2HB      ARG   3 -13.193  -9.136  -3.013
   23    HG2  ARG   3           1HG      ARG   3 -14.413 -10.603  -1.379
   24    HG3  ARG   3           2HG      ARG   3 -13.190 -11.839  -1.698
   25    HD2  ARG   3           1HD      ARG   3 -11.453 -10.146  -1.085
   26    HD3  ARG   3           2HD      ARG   3 -12.757  -9.077  -0.575
   27    HE   ARG   3           HE       ARG   3 -12.922 -11.632   0.690
   28   HH11  ARG   3          2HH1      ARG   3 -11.360  -8.501   0.801
   29   HH12  ARG   3          1HH1      ARG   3 -10.845  -8.659   2.448
   30   HH21  ARG   3          2HH2      ARG   3 -12.268 -11.840   2.899
   31   HH22  ARG   3          1HH2      ARG   3 -11.389 -10.538   3.651
   32    H    HIS   4           H        HIS   4 -15.448 -11.930  -5.918
   33    HA   HIS   4           HA       HIS   4 -14.554 -14.589  -5.065
   34    HB2  HIS   4           1HB      HIS   4 -15.855 -15.344  -7.150
   35    HB3  HIS   4           2HB      HIS   4 -16.789 -14.740  -5.790
   36    HD1  HIS   4           HD1      HIS   4 -17.829 -12.325  -6.065
   37    HD2  HIS   4           HD2      HIS   4 -16.204 -13.981  -9.519
   38    HE1  HIS   4           HE1      HIS   4 -18.679 -10.905  -7.965
   39    HE2  HIS   4           HE2      HIS   4 -17.633 -11.885 -10.042
   40    H    GLN   5           H        GLN   5 -12.499 -13.078  -5.531
   41    HA   GLN   5           HA       GLN   5 -11.081 -14.251  -7.696
   42    HB2  GLN   5           1HB      GLN   5 -12.471 -12.558  -8.908
   43    HB3  GLN   5           2HB      GLN   5 -11.737 -11.296  -7.933
   44    HG2  GLN   5           1HG      GLN   5 -10.668 -11.331 -10.064
   45    HG3  GLN   5           2HG      GLN   5  -9.528 -11.943  -8.864
   46   HE21  GLN   5          1HE2      GLN   5  -8.605 -13.866  -9.210
   47   HE22  GLN   5          2HE2      GLN   5  -9.074 -14.985 -10.445
   48    H    PHE   6           H        PHE   6  -9.885 -11.198  -7.427
   49    HA   PHE   6           HA       PHE   6  -8.748 -11.101  -4.853
   50    HB2  PHE   6           1HB      PHE   6  -7.457 -13.049  -5.879
   51    HB3  PHE   6           2HB      PHE   6  -6.817 -11.903  -7.049
   52    HD1  PHE   6           HD2      PHE   6  -7.267 -11.993  -3.340
   53    HD2  PHE   6           HD1      PHE   6  -4.674 -11.251  -6.631
   54    HE1  PHE   6           HE2      PHE   6  -5.453 -11.424  -1.777
   55    HE2  PHE   6           HE1      PHE   6  -2.857 -10.683  -5.077
   56    HZ   PHE   6           HZ       PHE   6  -3.244 -10.767  -2.646
   57    H    ASP   7           H        ASP   7  -7.180  -9.223  -4.780
   58    HA   ASP   7           HA       ASP   7  -8.113  -7.142  -6.508
   59    HB2  ASP   7           1HB      ASP   7  -6.203  -7.258  -4.212
   60    HB3  ASP   7           2HB      ASP   7  -6.181  -5.851  -5.272
   61    H    LEU   8           H        LEU   8  -7.268  -8.694  -8.318
   62    HA   LEU   8           HA       LEU   8  -4.496  -8.358  -9.057
   63    HB2  LEU   8           1HB      LEU   8  -6.848  -9.354 -10.673
   64    HB3  LEU   8           2HB      LEU   8  -5.159  -9.496 -11.122
   65    HG   LEU   8           HG       LEU   8  -6.366 -10.792  -8.678
   66   HD11  LEU   8          1HD1      LEU   8  -7.207 -12.354  -9.998
   67   HD12  LEU   8          2HD1      LEU   8  -6.595 -11.513 -11.424
   68   HD13  LEU   8          3HD1      LEU   8  -5.582 -12.699 -10.597
   69   HD21  LEU   8          3HD2      LEU   8  -3.783 -11.464 -10.053
   70   HD22  LEU   8          1HD2      LEU   8  -3.874 -10.263  -8.763
   71   HD23  LEU   8          2HD2      LEU   8  -4.330 -11.937  -8.445
   72    H    ILE   9           H        ILE   9  -5.720  -5.921  -8.546
   73    HA   ILE   9           HA       ILE   9  -5.499  -4.657 -11.158
   74    HB   ILE   9           HB       ILE   9  -7.602  -3.990  -9.088
   75   HG12  ILE   9          1HG1      ILE   9  -9.137  -4.241 -11.145
   76   HG13  ILE   9          2HG1      ILE   9  -7.776  -5.083 -11.875
   77   HG21  ILE   9          1HG2      ILE   9  -7.769  -2.505 -11.590
   78   HG22  ILE   9          2HG2      ILE   9  -7.982  -1.959  -9.926
   79   HG23  ILE   9          3HG2      ILE   9  -6.362  -2.105 -10.605
   80   HD11  ILE   9          3HD1      ILE   9  -7.836  -6.756 -10.170
   81   HD12  ILE   9          1HD1      ILE   9  -9.089  -5.878  -9.293
   82   HD13  ILE   9          2HD1      ILE   9  -9.445  -6.584 -10.872
   83    H    MET  10           H        MET  10  -3.841  -5.333  -8.997
   84    HA   MET  10           HA       MET  10  -3.124  -2.704  -7.932
   85    HB2  MET  10           1HB      MET  10  -3.015  -3.728  -5.960
   86    HB3  MET  10           2HB      MET  10  -3.385  -5.268  -6.715
   87    HG2  MET  10           1HG      MET  10  -0.966  -5.527  -7.197
   88    HG3  MET  10           2HG      MET  10  -0.686  -4.096  -6.200
   89    HE1  MET  10           3HE      MET  10  -2.656  -5.496  -2.938
   90    HE2  MET  10           1HE      MET  10  -1.952  -4.029  -3.627
   91    HE3  MET  10           2HE      MET  10  -3.370  -4.766  -4.377
   92    H    CYS  11           H        CYS  11  -1.195  -1.905  -8.212
   93    HA   CYS  11           HA       CYS  11   0.141  -2.029 -10.476
   94    HB2  CYS  11           1HB      CYS  11   0.446  -0.754  -8.106
   95    HB3  CYS  11           2HB      CYS  11   1.933  -1.689  -8.168
   96    H    LEU  12           H        LEU  12   1.522  -3.643  -7.599
   97    HA   LEU  12           HA       LEU  12   3.111  -5.202  -7.357
   98    HB2  LEU  12           1HB      LEU  12   1.069  -6.234  -9.170
   99    HB3  LEU  12           2HB      LEU  12   2.571  -7.145  -9.159
  100    HG   LEU  12           HG       LEU  12   2.178  -7.975  -7.128
  101   HD11  LEU  12          1HD1      LEU  12   2.578  -6.343  -5.644
  102   HD12  LEU  12          2HD1      LEU  12   1.456  -5.226  -6.421
  103   HD13  LEU  12          3HD1      LEU  12   0.840  -6.516  -5.391
  104   HD21  LEU  12          3HD2      LEU  12  -0.443  -7.499  -6.569
  105   HD22  LEU  12          1HD2      LEU  12  -0.350  -7.293  -8.318
  106   HD23  LEU  12          2HD2      LEU  12   0.185  -8.802  -7.577
  107    H    LYS  13           H        LYS  13   4.031  -3.117  -8.977
  108    HA   LYS  13           HA       LYS  13   6.036  -4.583 -10.561
  109    HB2  LYS  13           1HB      LYS  13   6.471  -1.790 -10.818
  110    HB3  LYS  13           2HB      LYS  13   6.010  -2.929 -12.071
  111    HG2  LYS  13           1HG      LYS  13   3.655  -2.536 -11.559
  112    HG3  LYS  13           2HG      LYS  13   4.126  -1.392 -10.302
  113    HD2  LYS  13           1HD      LYS  13   4.617  -1.122 -13.267
  114    HD3  LYS  13           2HD      LYS  13   3.514  -0.169 -12.280
  115    HE2  LYS  13           1HE      LYS  13   5.224   1.279 -12.223
  116    HE3  LYS  13           2HE      LYS  13   5.823   0.220 -10.952
  117    HZ1  LYS  13           3HZ      LYS  13   7.468  -0.573 -12.263
  118    HZ2  LYS  13           1HZ      LYS  13   7.261   0.899 -13.074
  119    HZ3  LYS  13           2HZ      LYS  13   6.540  -0.508 -13.682
  120    H    GLN  14           H        GLN  14   8.277  -3.505 -10.263
  121    HA   GLN  14           HA       GLN  14   9.067  -3.819  -7.614
  122    HB2  GLN  14           1HB      GLN  14  10.477  -3.886  -9.742
  123    HB3  GLN  14           2HB      GLN  14  10.544  -2.133  -9.631
  124    HG2  GLN  14           1HG      GLN  14  12.523  -2.916  -8.657
  125    HG3  GLN  14           2HG      GLN  14  11.481  -2.442  -7.315
  126   HE21  GLN  14          1HE2      GLN  14  13.483  -4.789  -8.476
  127   HE22  GLN  14          2HE2      GLN  14  12.966  -6.113  -7.488
  128    HA   PRO  15           HA       PRO  15   7.607   0.062  -5.982
  129    HB2  PRO  15           1HB      PRO  15   8.971  -0.693  -3.524
  130    HB3  PRO  15           2HB      PRO  15   7.245  -0.499  -3.826
  131    HG2  PRO  15           1HG      PRO  15   8.381  -2.921  -3.398
  132    HG3  PRO  15           2HG      PRO  15   6.967  -2.693  -4.444
  133    HD2  PRO  15           1HD      PRO  15   9.842  -3.056  -5.194
  134    HD3  PRO  15           2HD      PRO  15   8.381  -3.719  -5.960
  135    H    GLY  16           H        GLY  16   8.416   2.040  -5.351
  136    HA2  GLY  16           2HA      GLY  16  11.231   2.469  -5.965
  137    HA3  GLY  16           1HA      GLY  16  10.000   3.708  -5.780
  138    H    VAL  17           H        VAL  17  10.472   4.987  -4.157
  139    HA   VAL  17           HA       VAL  17  11.899   3.899  -1.842
  140    HB   VAL  17           HB       VAL  17  11.653   6.700  -2.894
  141   HG11  VAL  17          1HG1      VAL  17  13.204   5.798  -0.477
  142   HG12  VAL  17          2HG1      VAL  17  13.104   7.439  -1.121
  143   HG13  VAL  17          3HG1      VAL  17  11.674   6.675  -0.424
  144   HG21  VAL  17          3HG2      VAL  17  13.827   6.516  -3.631
  145   HG22  VAL  17          1HG2      VAL  17  14.207   5.214  -2.501
  146   HG23  VAL  17          2HG2      VAL  17  13.212   4.889  -3.920
  147    H    GLN  18           H        GLN  18   9.249   6.128  -2.624
  148    HA   GLN  18           HA       GLN  18   8.613   6.803  -0.007
  149    HB2  GLN  18           1HB      GLN  18   6.926   6.842  -2.498
  150    HB3  GLN  18           2HB      GLN  18   6.391   7.506  -0.960
  151    HG2  GLN  18           1HG      GLN  18   8.297   9.044  -0.970
  152    HG3  GLN  18           2HG      GLN  18   8.802   8.385  -2.528
  153   HE21  GLN  18          1HE2      GLN  18   8.203   9.546  -4.207
  154   HE22  GLN  18          2HE2      GLN  18   6.788  10.546  -4.307
  155    H    THR  19           H        THR  19   6.913   6.319   1.346
  156    HA   THR  19           HA       THR  19   6.117   3.529   1.409
  157    HB   THR  19           HB       THR  19   5.560   5.831   3.294
  158    HG1  THR  19           HG1      THR  19   7.745   4.413   2.927
  159   HG21  THR  19          1HG2      THR  19   3.933   4.533   4.111
  160   HG22  THR  19          2HG2      THR  19   5.221   3.476   4.692
  161   HG23  THR  19          3HG2      THR  19   4.442   3.151   3.144
  162    H    GLY  20           H        GLY  20   4.000   2.799   1.212
  163    HA2  GLY  20           2HA      GLY  20   2.214   4.418  -0.371
  164    HA3  GLY  20           1HA      GLY  20   1.911   2.785   0.206
  165    H    LEU  21           H        LEU  21   0.677   5.735   0.341
  166    HA   LEU  21           HA       LEU  21   0.154   5.826   3.200
  167    HB2  LEU  21           1HB      LEU  21  -0.508   7.722   0.958
  168    HB3  LEU  21           2HB      LEU  21  -0.983   7.982   2.625
  169    HG   LEU  21           HG       LEU  21   1.861   7.798   1.630
  170   HD11  LEU  21          1HD1      LEU  21   1.880  10.221   2.280
  171   HD12  LEU  21          2HD1      LEU  21   0.909   9.833   0.859
  172   HD13  LEU  21          3HD1      LEU  21   0.123  10.126   2.411
  173   HD21  LEU  21          3HD2      LEU  21   2.473   7.548   3.748
  174   HD22  LEU  21          1HD2      LEU  21   1.572   8.995   4.200
  175   HD23  LEU  21          2HD2      LEU  21   0.776   7.422   4.212
  176    H    LEU  22           H        LEU  22  -1.732   5.464   4.154
  177    HA   LEU  22           HA       LEU  22  -4.028   4.612   2.519
  178    HB2  LEU  22           1HB      LEU  22  -3.538   4.329   5.490
  179    HB3  LEU  22           2HB      LEU  22  -4.969   3.776   4.639
  180    HG   LEU  22           HG       LEU  22  -2.172   2.717   4.276
  181   HD11  LEU  22          1HD1      LEU  22  -3.407   0.623   5.174
  182   HD12  LEU  22          2HD1      LEU  22  -2.887   1.864   6.313
  183   HD13  LEU  22          3HD1      LEU  22  -4.573   1.785   5.803
  184   HD21  LEU  22          3HD2      LEU  22  -4.296   1.091   3.217
  185   HD22  LEU  22          1HD2      LEU  22  -4.316   2.694   2.483
  186   HD23  LEU  22          2HD2      LEU  22  -2.853   1.711   2.417
  187    H    CYS  23           H        CYS  23  -6.042   5.579   2.891
  188    HA   CYS  23           HA       CYS  23  -5.937   8.209   4.165
  189    HB2  CYS  23           1HB      CYS  23  -7.930   8.766   3.063
  190    HB3  CYS  23           2HB      CYS  23  -7.062   7.816   1.866
  191    H    GLU  24           H        GLU  24  -7.512   8.705   5.803
  192    HA   GLU  24           HA       GLU  24  -7.630   6.895   7.865
  193    HB2  GLU  24           1HB      GLU  24  -9.520   9.174   7.280
  194    HB3  GLU  24           2HB      GLU  24  -9.404   8.345   8.827
  195    HG2  GLU  24           1HG      GLU  24  -7.065   9.708   7.529
  196    HG3  GLU  24           2HG      GLU  24  -8.167  10.530   8.633
  197    H    LYS  25           H        LYS  25  -9.859   7.189   5.185
  198    HA   LYS  25           HA       LYS  25 -11.964   5.669   6.338
  199    HB2  LYS  25           1HB      LYS  25 -11.325   6.106   3.416
  200    HB3  LYS  25           2HB      LYS  25 -12.856   5.535   4.066
  201    HG2  LYS  25           1HG      LYS  25 -11.624   8.241   4.541
  202    HG3  LYS  25           2HG      LYS  25 -12.986   7.883   3.478
  203    HD2  LYS  25           1HD      LYS  25 -14.316   7.172   5.377
  204    HD3  LYS  25           2HD      LYS  25 -12.945   7.413   6.458
  205    HE2  LYS  25           1HE      LYS  25 -14.429   9.287   6.662
  206    HE3  LYS  25           2HE      LYS  25 -12.954   9.816   5.855
  207    HZ1  LYS  25           3HZ      LYS  25 -15.618   9.333   4.660
  208    HZ2  LYS  25           1HZ      LYS  25 -14.215   9.462   3.713
  209    HZ3  LYS  25           2HZ      LYS  25 -14.712  10.767   4.671
  210    H    CYS  26           H        CYS  26  -9.085   4.822   4.496
  211    HA   CYS  26           HA       CYS  26  -9.838   1.980   4.645
  212    HB2  CYS  26           1HB      CYS  26  -7.483   3.141   3.146
  213    HB3  CYS  26           2HB      CYS  26  -8.133   1.513   3.017
  214    H    ASP  27           H        ASP  27  -9.077   3.551   6.919
  215    HA   ASP  27           HA       ASP  27  -6.378   3.368   7.569
  216    HB2  ASP  27           1HB      ASP  27  -7.721   4.862   8.818
  217    HB3  ASP  27           2HB      ASP  27  -8.856   3.594   9.264
  218    H    GLY  28           H        GLY  28  -5.150   1.713   7.913
  219    HA2  GLY  28           2HA      GLY  28  -4.336  -0.219   8.843
  220    HA3  GLY  28           1HA      GLY  28  -5.787  -0.274   9.828
  221    H    LYS  29           H        LYS  29  -5.820  -0.286   6.323
  222    HA   LYS  29           HA       LYS  29  -6.768  -3.071   6.420
  223    HB2  LYS  29           1HB      LYS  29  -7.109  -1.026   4.214
  224    HB3  LYS  29           2HB      LYS  29  -7.708  -2.675   4.179
  225    HG2  LYS  29           1HG      LYS  29  -9.341  -2.252   5.788
  226    HG3  LYS  29           2HG      LYS  29  -8.556  -0.764   6.324
  227    HD2  LYS  29           1HD      LYS  29 -10.548  -0.277   5.005
  228    HD3  LYS  29           2HD      LYS  29  -9.095   0.295   4.189
  229    HE2  LYS  29           1HE      LYS  29 -10.460  -0.714   2.538
  230    HE3  LYS  29           2HE      LYS  29  -9.136  -1.835   2.857
  231    HZ1  LYS  29           3HZ      LYS  29 -10.605  -3.129   4.260
  232    HZ2  LYS  29           1HZ      LYS  29 -11.269  -2.964   2.710
  233    HZ3  LYS  29           2HZ      LYS  29 -11.872  -2.037   3.997
  234    H    CYS  30           H        CYS  30  -5.376  -4.562   5.772
  235    HA   CYS  30           HA       CYS  30  -2.821  -3.995   4.740
  236    HB2  CYS  30           1HB      CYS  30  -3.178  -6.037   5.922
  237    HB3  CYS  30           2HB      CYS  30  -4.480  -6.514   4.842
  238    HA   PRO  31           HA       PRO  31  -4.173  -3.148   0.544
  239    HB2  PRO  31           1HB      PRO  31  -1.359  -2.643  -0.015
  240    HB3  PRO  31           2HB      PRO  31  -2.714  -1.513  -0.010
  241    HG2  PRO  31           1HG      PRO  31  -0.752  -1.468   1.855
  242    HG3  PRO  31           2HG      PRO  31  -2.416  -0.958   2.184
  243    HD2  PRO  31           1HD      PRO  31  -1.049  -3.527   2.877
  244    HD3  PRO  31           2HD      PRO  31  -2.196  -2.566   3.835
  245    H    ILE  32           H        ILE  32  -3.970  -5.807   1.072
  246    HA   ILE  32           HA       ILE  32  -2.900  -6.796  -1.431
  247    HB   ILE  32           HB       ILE  32  -2.063  -8.054   1.197
  248   HG12  ILE  32          1HG1      ILE  32  -0.780  -5.997   0.216
  249   HG13  ILE  32          2HG1      ILE  32   0.127  -7.386   0.796
  250   HG21  ILE  32          1HG2      ILE  32  -0.991  -9.779  -0.091
  251   HG22  ILE  32          2HG2      ILE  32  -2.690  -9.690  -0.555
  252   HG23  ILE  32          3HG2      ILE  32  -1.453  -8.993  -1.601
  253   HD11  ILE  32          3HD1      ILE  32   0.728  -8.048  -1.325
  254   HD12  ILE  32          1HD1      ILE  32  -0.629  -7.209  -2.084
  255   HD13  ILE  32          2HD1      ILE  32   0.742  -6.288  -1.465
  256    H    CYS  33           H        CYS  33  -4.407  -7.648   1.677
  257    HA   CYS  33           HA       CYS  33  -6.160  -9.500   0.220
  258    HB2  CYS  33           1HB      CYS  33  -6.428 -10.704   2.335
  259    HB3  CYS  33           2HB      CYS  33  -4.732 -10.582   1.880
  260    H    ASP  34           H        ASP  34  -6.153  -6.569   1.954
  261    HA   ASP  34           HA       ASP  34  -7.780  -5.155   2.648
  262    HB2  ASP  34           1HB      ASP  34  -8.901  -5.714   0.495
  263    HB3  ASP  34           2HB      ASP  34  -9.740  -7.032   1.303
  264    H    SER  35           H        SER  35  -7.171  -5.797   4.735
  265    HA   SER  35           HA       SER  35  -9.303  -6.808   6.348
  266    HB2  SER  35           1HB      SER  35  -8.365  -8.939   5.541
  267    HB3  SER  35           2HB      SER  35  -6.767  -8.450   6.103
  268    HG   SER  35           HG       SER  35  -8.186  -9.866   7.501
  269    H    TYR  36           H        TYR  36  -8.991  -6.340   8.539
  270    HA   TYR  36           HA       TYR  36  -6.856  -4.424   9.067
  271    HB2  TYR  36           1HB      TYR  36  -9.228  -5.257  10.752
  272    HB3  TYR  36           2HB      TYR  36  -8.085  -3.994  11.181
  273    HD1  TYR  36           HD1      TYR  36 -10.307  -4.900   8.301
  274    HD2  TYR  36           HD2      TYR  36  -8.740  -1.833  10.794
  275    HE1  TYR  36           HE1      TYR  36 -11.702  -3.250   7.134
  276    HE2  TYR  36           HE2      TYR  36 -10.131  -0.174   9.633
  277    HH   TYR  36           HH       TYR  36 -11.487   0.215   7.910
  278    H    VAL  37           H        VAL  37  -6.718  -7.517   8.960
  279    HA   VAL  37           HA       VAL  37  -6.084  -8.426  11.547
  280    HB   VAL  37           HB       VAL  37  -6.669  -9.931   9.682
  281   HG11  VAL  37          1HG1      VAL  37  -5.692  -9.632   7.719
  282   HG12  VAL  37          2HG1      VAL  37  -4.404  -8.656   8.425
  283   HG13  VAL  37          3HG1      VAL  37  -4.264 -10.415   8.395
  284   HG21  VAL  37          3HG2      VAL  37  -3.973 -10.882  10.437
  285   HG22  VAL  37          1HG2      VAL  37  -5.082 -10.492  11.751
  286   HG23  VAL  37          2HG2      VAL  37  -5.537 -11.691  10.538
  287    H    ARG  38           H        ARG  38  -4.113  -8.888  12.492
  288    HA   ARG  38           HA       ARG  38  -2.388  -6.947  12.927
  289    HB2  ARG  38           1HB      ARG  38  -0.710  -8.632  13.642
  290    HB3  ARG  38           2HB      ARG  38  -2.340  -8.989  14.201
  291    HG2  ARG  38           1HG      ARG  38  -2.587 -10.587  12.326
  292    HG3  ARG  38           2HG      ARG  38  -0.910 -10.275  11.882
  293    HD2  ARG  38           1HD      ARG  38  -1.818 -11.350  14.546
  294    HD3  ARG  38           2HD      ARG  38  -1.217 -12.335  13.214
  295    HE   ARG  38           HE       ARG  38   0.653 -10.306  13.894
  296   HH11  ARG  38          2HH1      ARG  38  -0.596 -13.419  14.902
  297   HH12  ARG  38          1HH1      ARG  38   0.820 -13.834  15.816
  298   HH21  ARG  38          2HH2      ARG  38   2.532 -10.856  15.076
  299   HH22  ARG  38          1HH2      ARG  38   2.617 -12.382  15.905
  300    HA   PRO  39           HA       PRO  39  -0.044  -6.195   9.211
  301    HB2  PRO  39           1HB      PRO  39   1.534  -4.382  10.880
  302    HB3  PRO  39           2HB      PRO  39   0.474  -4.008   9.520
  303    HG2  PRO  39           1HG      PRO  39  -0.164  -3.350  12.054
  304    HG3  PRO  39           2HG      PRO  39  -1.392  -3.805  10.857
  305    HD2  PRO  39           1HD      PRO  39  -0.171  -5.458  13.041
  306    HD3  PRO  39           2HD      PRO  39  -1.873  -5.337  12.538
  307    H    LYS  40           H        LYS  40   2.604  -5.480   9.171
  308    HA   LYS  40           HA       LYS  40   4.257  -7.112  10.811
  309    HB2  LYS  40           1HB      LYS  40   3.185  -8.853   9.383
  310    HB3  LYS  40           2HB      LYS  40   3.865  -8.061   7.969
  311    HG2  LYS  40           1HG      LYS  40   5.191  -9.986   8.615
  312    HG3  LYS  40           2HG      LYS  40   6.116  -8.492   8.796
  313    HD2  LYS  40           1HD      LYS  40   5.637  -8.493  11.198
  314    HD3  LYS  40           2HD      LYS  40   4.721  -9.991  11.015
  315    HE2  LYS  40           1HE      LYS  40   6.703 -11.173  10.322
  316    HE3  LYS  40           2HE      LYS  40   7.639  -9.680  10.318
  317    HZ1  LYS  40           3HZ      LYS  40   6.675  -9.725  12.820
  318    HZ2  LYS  40           1HZ      LYS  40   8.200 -10.312  12.371
  319    HZ3  LYS  40           2HZ      LYS  40   6.893 -11.382  12.528
  320    H    ARG  41           H        ARG  41   4.072  -5.779   7.491
  321    HA   ARG  41           HA       ARG  41   6.515  -4.267   8.068
  322    HB2  ARG  41           1HB      ARG  41   6.128  -6.116   5.718
  323    HB3  ARG  41           2HB      ARG  41   7.342  -4.842   5.736
  324    HG2  ARG  41           1HG      ARG  41   8.286  -5.871   7.801
  325    HG3  ARG  41           2HG      ARG  41   7.162  -7.211   7.580
  326    HD2  ARG  41           1HD      ARG  41   9.244  -6.331   5.589
  327    HD3  ARG  41           2HD      ARG  41   9.402  -7.696   6.692
  328    HE   ARG  41           HE       ARG  41   7.051  -7.933   5.118
  329   HH11  ARG  41          2HH1      ARG  41  10.532  -8.264   4.953
  330   HH12  ARG  41          1HH1      ARG  41  10.481  -9.461   3.688
  331   HH21  ARG  41          2HH2      ARG  41   6.974  -9.460   3.448
  332   HH22  ARG  41          1HH2      ARG  41   8.459 -10.144   2.843
  333    H    LYS  42           H        LYS  42   6.704  -2.340   7.081
  334    HA   LYS  42           HA       LYS  42   4.311  -1.072   6.258
  335    HB2  LYS  42           1HB      LYS  42   6.238  -0.012   7.479
  336    HB3  LYS  42           2HB      LYS  42   7.136  -0.043   5.968
  337    HG2  LYS  42           1HG      LYS  42   5.447   1.390   4.938
  338    HG3  LYS  42           2HG      LYS  42   4.559   1.429   6.463
  339    HD2  LYS  42           1HD      LYS  42   7.407   2.354   6.144
  340    HD3  LYS  42           2HD      LYS  42   6.008   3.424   6.045
  341    HE2  LYS  42           1HE      LYS  42   5.379   2.811   8.326
  342    HE3  LYS  42           2HE      LYS  42   6.772   1.732   8.423
  343    HZ1  LYS  42           3HZ      LYS  42   7.016   4.031   9.426
  344    HZ2  LYS  42           1HZ      LYS  42   7.073   4.612   7.835
  345    HZ3  LYS  42           2HZ      LYS  42   8.248   3.520   8.379
  346    H    VAL  43           H        VAL  43   3.597  -0.413   4.276
  347    HA   VAL  43           HA       VAL  43   4.530  -1.935   2.034
  348    HB   VAL  43           HB       VAL  43   2.685  -1.027   0.807
  349   HG11  VAL  43          1HG1      VAL  43   0.990  -1.999   1.979
  350   HG12  VAL  43          2HG1      VAL  43   2.374  -2.612   2.883
  351   HG13  VAL  43          3HG1      VAL  43   1.458  -1.239   3.502
  352   HG21  VAL  43          3HG2      VAL  43   1.449   0.695   2.717
  353   HG22  VAL  43          1HG2      VAL  43   3.090   1.260   2.401
  354   HG23  VAL  43          2HG2      VAL  43   1.958   1.049   1.066
  355    H    ARG  44           H        ARG  44   5.315  -1.183   0.071
  356    HA   ARG  44           HA       ARG  44   6.365   1.570   0.063
  357    HB2  ARG  44           1HB      ARG  44   7.773  -0.985  -0.348
  358    HB3  ARG  44           2HB      ARG  44   8.087   0.218  -1.587
  359    HG2  ARG  44           1HG      ARG  44   9.761   0.318   0.153
  360    HG3  ARG  44           2HG      ARG  44   8.807   1.800   0.125
  361    HD2  ARG  44           1HD      ARG  44   9.252   1.012   2.411
  362    HD3  ARG  44           2HD      ARG  44   7.532   1.062   2.040
  363    HE   ARG  44           HE       ARG  44   7.456  -1.145   2.547
  364   HH11  ARG  44          2HH1      ARG  44  10.742  -0.435   1.524
  365   HH12  ARG  44          1HH1      ARG  44  11.287  -2.077   1.718
  366   HH21  ARG  44          2HH2      ARG  44   8.185  -3.275   2.847
  367   HH22  ARG  44          1HH2      ARG  44   9.844  -3.684   2.525
  368    H    VAL  45           H        VAL  45   5.807   2.734  -1.690
  369    HA   VAL  45           HA       VAL  45   4.328   1.351  -3.807
  370    HB   VAL  45           HB       VAL  45   3.786   3.704  -4.593
  371   HG11  VAL  45          1HG1      VAL  45   2.782   2.233  -2.288
  372   HG12  VAL  45          2HG1      VAL  45   2.374   3.948  -2.265
  373   HG13  VAL  45          3HG1      VAL  45   1.916   2.955  -3.646
  374   HG21  VAL  45          3HG2      VAL  45   4.159   4.841  -1.954
  375   HG22  VAL  45          1HG2      VAL  45   5.694   4.413  -2.708
  376   HG23  VAL  45          2HG2      VAL  45   4.576   5.502  -3.534
  377    H    CYS  46           H        CYS  46   4.822   1.539  -5.960
  378    HA   CYS  46           HA       CYS  46   7.582   1.678  -6.585
  379    HB2  CYS  46           1HB      CYS  46   6.999   0.986  -8.734
  380    HB3  CYS  46           2HB      CYS  46   5.715   0.305  -7.742
  381    H    GLU  47           H        GLU  47   8.423   2.998  -8.391
  382    HA   GLU  47           HA       GLU  47   8.198   5.774  -7.906
  383    HB2  GLU  47           1HB      GLU  47  10.197   4.796  -8.913
  384    HB3  GLU  47           2HB      GLU  47   9.266   4.278 -10.312
  385    HG2  GLU  47           1HG      GLU  47   8.735   6.779 -10.607
  386    HG3  GLU  47           2HG      GLU  47  10.100   7.035  -9.521
  387    H    ASN  48           H        ASN  48   6.764   3.626 -10.308
  388    HA   ASN  48           HA       ASN  48   5.430   5.699 -11.754
  389    HB2  ASN  48           1HB      ASN  48   5.217   2.692 -11.769
  390    HB3  ASN  48           2HB      ASN  48   4.171   3.712 -12.736
  391   HD21  ASN  48          1HD2      ASN  48   7.000   5.339 -12.528
  392   HD22  ASN  48          2HD2      ASN  48   7.780   4.760 -13.957
  393    H    CYS  49           H        CYS  49   4.820   5.952  -9.048
  394    HA   CYS  49           HA       CYS  49   1.948   6.046  -9.251
  395    HB2  CYS  49           1HB      CYS  49   3.328   4.364  -7.181
  396    HB3  CYS  49           2HB      CYS  49   1.812   5.170  -6.790
  397    H    SER  50           H        SER  50   4.685   6.455  -7.045
  398    HA   SER  50           HA       SER  50   3.581   9.037  -6.220
  399    HB2  SER  50           1HB      SER  50   5.789   7.374  -4.986
  400    HB3  SER  50           2HB      SER  50   5.206   8.918  -4.362
  401    HG   SER  50           HG       SER  50   3.100   7.881  -4.222
  402    H    PHE  51           H        PHE  51   4.514   8.913  -8.742
  403    HA   PHE  51           HA       PHE  51   7.243   9.632  -8.998
  404    HB2  PHE  51           1HB      PHE  51   6.374  10.405 -11.334
  405    HB3  PHE  51           2HB      PHE  51   6.408   8.695 -10.937
  406    HD1  PHE  51           HD2      PHE  51   4.092  11.625 -10.785
  407    HD2  PHE  51           HD1      PHE  51   4.545   7.435 -11.348
  408    HE1  PHE  51           HE2      PHE  51   1.701  11.443 -11.329
  409    HE2  PHE  51           HE1      PHE  51   2.155   7.245 -11.895
  410    HZ   PHE  51           HZ       PHE  51   0.729   9.253 -11.886
  411    H    GLY  52           H        GLY  52   4.273  11.436  -8.595
  412    HA2  GLY  52           2HA      GLY  52   5.450  13.663  -7.485
  413    HA3  GLY  52           1HA      GLY  52   5.364  13.999  -9.207
  414    H    LYS  53           H        LYS  53   3.148  13.548 -10.191
  415    HA   LYS  53           HA       LYS  53   1.200  15.046  -8.691
  416    HB2  LYS  53           1HB      LYS  53   1.066  13.718 -11.401
  417    HB3  LYS  53           2HB      LYS  53  -0.234  14.681 -10.709
  418    HG2  LYS  53           1HG      LYS  53   1.280  16.618 -10.622
  419    HG3  LYS  53           2HG      LYS  53   2.535  15.644 -11.394
  420    HD2  LYS  53           1HD      LYS  53   1.108  15.336 -13.347
  421    HD3  LYS  53           2HD      LYS  53  -0.175  16.267 -12.570
  422    HE2  LYS  53           1HE      LYS  53   1.377  18.207 -12.477
  423    HE3  LYS  53           2HE      LYS  53   2.545  17.263 -13.402
  424    HZ1  LYS  53           3HZ      LYS  53   1.121  18.810 -14.728
  425    HZ2  LYS  53           1HZ      LYS  53  -0.203  17.818 -14.360
  426    HZ3  LYS  53           2HZ      LYS  53   1.100  17.198 -15.251
  427    H    GLN  54           H        GLN  54  -0.725  14.352  -7.871
  428    HA   GLN  54           HA       GLN  54  -1.891  12.964  -6.506
  429    HB2  GLN  54           1HB      GLN  54  -3.229  11.292  -7.683
  430    HB3  GLN  54           2HB      GLN  54  -3.164  12.806  -8.563
  431    HG2  GLN  54           1HG      GLN  54  -1.129  10.896  -9.393
  432    HG3  GLN  54           2HG      GLN  54  -2.781  10.317  -9.611
  433   HE21  GLN  54          1HE2      GLN  54  -0.383  11.701 -11.190
  434   HE22  GLN  54          2HE2      GLN  54  -1.254  12.683 -12.323
  435    H    ALA  55           H        ALA  55   0.589  12.546  -5.879
  436    HA   ALA  55           HA       ALA  55   1.225   9.709  -6.012
  437    HB1  ALA  55           3HB      ALA  55   3.301  10.481  -4.778
  438    HB2  ALA  55           1HB      ALA  55   3.079  11.117  -6.408
  439    HB3  ALA  55           2HB      ALA  55   2.709  12.125  -5.009
  440    H    LYS  56           H        LYS  56   0.448  12.208  -3.641
  441    HA   LYS  56           HA       LYS  56   0.667  10.314  -1.464
  442    HB2  LYS  56           1HB      LYS  56  -0.002  13.251  -1.515
  443    HB3  LYS  56           2HB      LYS  56   0.101  12.291  -0.045
  444    HG2  LYS  56           1HG      LYS  56   2.458  11.755  -0.645
  445    HG3  LYS  56           2HG      LYS  56   2.320  12.896  -1.985
  446    HD2  LYS  56           1HD      LYS  56   1.936  13.543   0.936
  447    HD3  LYS  56           2HD      LYS  56   3.358  13.936  -0.032
  448    HE2  LYS  56           1HE      LYS  56   2.024  15.375  -1.458
  449    HE3  LYS  56           2HE      LYS  56   0.562  14.931  -0.577
  450    HZ1  LYS  56           3HZ      LYS  56   1.343  16.021   1.353
  451    HZ2  LYS  56           1HZ      LYS  56   1.583  17.103   0.070
  452    HZ3  LYS  56           2HZ      LYS  56   2.895  16.239   0.703
  453    H    ASN  57           H        ASN  57  -1.556   9.971  -3.411
  454    HA   ASN  57           HA       ASN  57  -3.783  10.362  -1.552
  455    HB2  ASN  57           1HB      ASN  57  -5.301   9.610  -3.318
  456    HB3  ASN  57           2HB      ASN  57  -4.370  11.007  -3.820
  457   HD21  ASN  57          1HD2      ASN  57  -3.697  10.929  -5.796
  458   HD22  ASN  57          2HD2      ASN  57  -3.336   9.499  -6.710
  459    H    CYS  58           H        CYS  58  -5.017   8.662  -0.880
  460    HA   CYS  58           HA       CYS  58  -3.705   6.578   0.249
  461    HB2  CYS  58           1HB      CYS  58  -5.852   7.240   0.985
  462    HB3  CYS  58           2HB      CYS  58  -6.571   6.902  -0.580
  463    H    ILE  59           H        ILE  59  -2.923   4.706  -0.347
  464    HA   ILE  59           HA       ILE  59  -2.705   4.020  -3.045
  465    HB   ILE  59           HB       ILE  59  -1.628   1.928  -2.203
  466   HG12  ILE  59          1HG1      ILE  59  -2.432   3.105   0.473
  467   HG13  ILE  59          2HG1      ILE  59  -2.887   1.531  -0.170
  468   HG21  ILE  59          1HG2      ILE  59  -0.861   4.630  -1.986
  469   HG22  ILE  59          2HG2      ILE  59  -0.230   3.802  -0.563
  470   HG23  ILE  59          3HG2      ILE  59   0.179   3.217  -2.177
  471   HD11  ILE  59          3HD1      ILE  59  -1.198   0.730   1.026
  472   HD12  ILE  59          1HD1      ILE  59  -0.139   1.446  -0.188
  473   HD13  ILE  59          2HD1      ILE  59  -0.512   2.337   1.299
  474    H    ILE  60           H        ILE  60  -4.946   2.892  -0.605
  475    HA   ILE  60           HA       ILE  60  -5.801   0.624  -2.113
  476    HB   ILE  60           HB       ILE  60  -7.032   1.962   0.299
  477   HG12  ILE  60          1HG1      ILE  60  -5.399  -0.563  -0.056
  478   HG13  ILE  60          2HG1      ILE  60  -4.871   0.923   0.729
  479   HG21  ILE  60          1HG2      ILE  60  -8.864   0.731   0.044
  480   HG22  ILE  60          2HG2      ILE  60  -8.246   0.141  -1.498
  481   HG23  ILE  60          3HG2      ILE  60  -7.889  -0.738  -0.011
  482   HD11  ILE  60          3HD1      ILE  60  -6.497  -1.281   1.754
  483   HD12  ILE  60          1HD1      ILE  60  -5.445  -0.148   2.604
  484   HD13  ILE  60          2HD1      ILE  60  -7.087   0.328   2.167
  485    H    CYS  61           H        CYS  61  -7.283   3.849  -1.508
  486    HA   CYS  61           HA       CYS  61  -9.239   3.090  -3.551
  487    HB2  CYS  61           1HB      CYS  61 -10.799   4.655  -2.578
  488    HB3  CYS  61           2HB      CYS  61 -10.199   3.555  -1.342
  489    H    ASN  62           H        ASN  62  -6.519   4.951  -3.289
  490    HA   ASN  62           HA       ASN  62  -5.680   6.788  -4.360
  491    HB2  ASN  62           1HB      ASN  62  -5.891   6.598  -6.854
  492    HB3  ASN  62           2HB      ASN  62  -5.297   5.167  -6.033
  493   HD21  ASN  62          1HD2      ASN  62  -7.831   6.551  -7.915
  494   HD22  ASN  62          2HD2      ASN  62  -8.702   5.082  -8.211
  495    H    LEU  63           H        LEU  63  -7.816   7.749  -3.106
  496    HA   LEU  63           HA       LEU  63  -8.821   9.730  -5.003
  497    HB2  LEU  63           1HB      LEU  63 -10.296   7.528  -4.279
  498    HB3  LEU  63           2HB      LEU  63 -10.856   8.741  -3.146
  499    HG   LEU  63           HG       LEU  63 -12.363   8.848  -4.931
  500   HD11  LEU  63          1HD1      LEU  63 -11.466  10.987  -6.255
  501   HD12  LEU  63          2HD1      LEU  63 -12.093  11.063  -4.608
  502   HD13  LEU  63          3HD1      LEU  63 -10.352  11.006  -4.887
  503   HD21  LEU  63          3HD2      LEU  63 -11.924   8.448  -7.123
  504   HD22  LEU  63          1HD2      LEU  63 -10.316   9.170  -7.051
  505   HD23  LEU  63          2HD2      LEU  63 -10.588   7.554  -6.395
  506    H    ASN  64           H        ASN  64  -9.159   8.642  -1.635
  507    HA   ASN  64           HA       ASN  64  -9.162  11.342  -0.618
  508    HB2  ASN  64           1HB      ASN  64  -8.956   8.677   0.796
  509    HB3  ASN  64           2HB      ASN  64  -9.058  10.230   1.614
  510   HD21  ASN  64          1HD2      ASN  64 -10.779   7.635   0.809
  511   HD22  ASN  64          2HD2      ASN  64 -12.359   8.321   0.686
  512    H    VAL  65           H        VAL  65  -7.479  12.328   0.536
  513    HA   VAL  65           HA       VAL  65  -4.850  11.741  -0.356
  514    HB   VAL  65           HB       VAL  65  -5.713  13.490   1.957
  515   HG11  VAL  65          1HG1      VAL  65  -3.293  12.758   1.907
  516   HG12  VAL  65          2HG1      VAL  65  -3.146  13.654   0.395
  517   HG13  VAL  65          3HG1      VAL  65  -3.573  14.499   1.884
  518   HG21  VAL  65          3HG2      VAL  65  -5.202  15.296   0.180
  519   HG22  VAL  65          1HG2      VAL  65  -5.425  13.985  -0.980
  520   HG23  VAL  65          2HG2      VAL  65  -6.741  14.436   0.105
  521    H    GLY  66           H        GLY  66  -3.286  10.508   0.502
  522    HA2  GLY  66           2HA      GLY  66  -3.980   8.667   2.600
  523    HA3  GLY  66           1HA      GLY  66  -2.455   8.742   1.733
  524    H    VAL  67           H        VAL  67  -3.280   8.599   4.659
  525    HA   VAL  67           HA       VAL  67  -1.502  10.759   5.556
  526    HB   VAL  67           HB       VAL  67  -2.900  10.931   7.640
  527   HG11  VAL  67          1HG1      VAL  67  -3.748  12.753   6.688
  528   HG12  VAL  67          2HG1      VAL  67  -3.264  12.111   5.117
  529   HG13  VAL  67          3HG1      VAL  67  -4.878  11.777   5.746
  530   HG21  VAL  67          3HG2      VAL  67  -4.185   8.705   6.607
  531   HG22  VAL  67          1HG2      VAL  67  -4.712   9.682   7.978
  532   HG23  VAL  67          2HG2      VAL  67  -5.332  10.023   6.364
  533    H    ASN  68           H        ASN  68  -2.874   7.558   6.256
  534    HA   ASN  68           HA       ASN  68  -0.804   7.119   8.282
  535    HB2  ASN  68           1HB      ASN  68  -2.661   4.911   7.628
  536    HB3  ASN  68           2HB      ASN  68  -2.136   5.511   9.194
  537   HD21  ASN  68          1HD2      ASN  68  -3.484   6.756  10.330
  538   HD22  ASN  68          2HD2      ASN  68  -4.995   7.372   9.748
  539    H    ASP  69           H        ASP  69   0.846   5.646   8.042
  540    HA   ASP  69           HA       ASP  69   1.460   4.692   5.374
  541    HB2  ASP  69           1HB      ASP  69   2.755   4.193   8.075
  542    HB3  ASP  69           2HB      ASP  69   3.335   3.462   6.588
  543    H    ALA  70           H        ALA  70   0.935   2.808   4.511
  544    HA   ALA  70           HA       ALA  70  -0.777   1.015   5.980
  545    HB1  ALA  70           3HB      ALA  70  -0.145   1.514   3.209
  546    HB2  ALA  70           1HB      ALA  70  -0.153  -0.212   3.575
  547    HB3  ALA  70           2HB      ALA  70  -1.576   0.770   3.927
  548    H    PHE  71           H        PHE  71  -0.404  -1.157   6.410
  549    HA   PHE  71           HA       PHE  71   2.368  -2.087   6.147
  550    HB2  PHE  71           1HB      PHE  71   0.612  -2.142   8.581
  551    HB3  PHE  71           2HB      PHE  71   1.828  -3.389   8.347
  552    HD1  PHE  71           HD2      PHE  71   1.711   0.345   8.020
  553    HD2  PHE  71           HD1      PHE  71   3.705  -3.077   9.577
  554    HE1  PHE  71           HE2      PHE  71   3.404   1.802   9.048
  555    HE2  PHE  71           HE1      PHE  71   5.399  -1.626  10.611
  556    HZ   PHE  71           HZ       PHE  71   5.250   0.817  10.346
  557    H    TYR  72           H        TYR  72   2.562  -4.096   5.338
  558    HA   TYR  72           HA       TYR  72   0.261  -5.536   4.401
  559    HB2  TYR  72           1HB      TYR  72   3.083  -6.585   4.712
  560    HB3  TYR  72           2HB      TYR  72   1.816  -7.241   3.685
  561    HD1  TYR  72           HD2      TYR  72   0.985  -5.747   1.763
  562    HD2  TYR  72           HD1      TYR  72   4.617  -5.071   3.865
  563    HE1  TYR  72           HE2      TYR  72   1.820  -4.419  -0.128
  564    HE2  TYR  72           HE1      TYR  72   5.470  -3.741   1.986
  565    HH   TYR  72           HH       TYR  72   4.741  -3.780  -0.798
  566    H    CYS  73           H        CYS  73  -0.849  -7.107   5.460
  567    HA   CYS  73           HA       CYS  73  -0.409  -7.496   8.231
  568    HB2  CYS  73           1HB      CYS  73  -2.343  -8.788   8.251
  569    HB3  CYS  73           2HB      CYS  73  -2.620  -7.695   6.902
  570    H    TRP  74           H        TRP  74   0.111  -9.428   9.324
  571    HA   TRP  74           HA       TRP  74   2.472 -10.605   8.539
  572    HB2  TRP  74           1HB      TRP  74   1.675 -10.603  10.850
  573    HB3  TRP  74           2HB      TRP  74   0.385 -11.723  10.423
  574    HD1  TRP  74           HD1      TRP  74   4.247 -11.815   9.918
  575    HE1  TRP  74           HE1      TRP  74   5.080 -14.143  10.637
  576    HE3  TRP  74           HE3      TRP  74  -0.222 -13.848  11.336
  577    HZ2  TRP  74           HZ2      TRP  74   3.972 -16.528  11.678
  578    HZ3  TRP  74           HZ3      TRP  74  -0.249 -16.160  12.183
  579    HH2  TRP  74           HH2      TRP  74   1.803 -17.474  12.341
  580    H    GLU  75           H        GLU  75  -0.816 -11.783   7.994
  581    HA   GLU  75           HA       GLU  75  -0.167 -14.367   7.139
  582    HB2  GLU  75           1HB      GLU  75  -2.489 -12.642   6.276
  583    HB3  GLU  75           2HB      GLU  75  -2.376 -14.385   6.071
  584    HG2  GLU  75           1HG      GLU  75  -2.194 -14.583   8.555
  585    HG3  GLU  75           2HG      GLU  75  -2.542 -12.858   8.656
  586    H    CYS  76           H        CYS  76  -0.541 -11.377   5.255
  587    HA   CYS  76           HA       CYS  76   0.029 -12.594   2.743
  588    HB2  CYS  76           1HB      CYS  76   0.113  -9.720   3.653
  589    HB3  CYS  76           2HB      CYS  76   0.471 -10.214   2.002
  590    H    CYS  77           H        CYS  77   1.982 -11.028   5.213
  591    HA   CYS  77           HA       CYS  77   4.405 -10.878   3.787
  592    HB2  CYS  77           1HB      CYS  77   4.011  -9.679   5.897
  593    HB3  CYS  77           2HB      CYS  77   3.948 -11.210   6.761
  594    HG   CYS  77           HG       CYS  77   6.710 -11.761   5.835
  595    H    ARG  78           H        ARG  78   3.011 -13.396   5.829
  596    HA   ARG  78           HA       ARG  78   5.135 -15.202   5.895
  597    HB2  ARG  78           1HB      ARG  78   3.146 -15.428   7.287
  598    HB3  ARG  78           2HB      ARG  78   2.150 -15.708   5.868
  599    HG2  ARG  78           1HG      ARG  78   2.442 -17.827   6.744
  600    HG3  ARG  78           2HG      ARG  78   3.661 -17.751   5.471
  601    HD2  ARG  78           1HD      ARG  78   4.196 -17.202   8.388
  602    HD3  ARG  78           2HD      ARG  78   4.472 -18.751   7.596
  603    HE   ARG  78           HE       ARG  78   6.125 -16.404   7.461
  604   HH11  ARG  78          2HH1      ARG  78   5.241 -19.380   5.812
  605   HH12  ARG  78          1HH1      ARG  78   6.677 -19.398   4.829
  606   HH21  ARG  78          2HH2      ARG  78   7.975 -16.426   6.185
  607   HH22  ARG  78          1HH2      ARG  78   8.233 -17.695   5.025
  608    H    LEU  79           H        LEU  79   2.419 -15.012   3.622
  609    HA   LEU  79           HA       LEU  79   3.345 -17.163   2.007
  610    HB2  LEU  79           1HB      LEU  79   1.204 -15.101   1.754
  611    HB3  LEU  79           2HB      LEU  79   1.654 -16.038   0.343
  612    HG   LEU  79           HG       LEU  79  -0.278 -17.027   1.423
  613   HD11  LEU  79          1HD1      LEU  79   1.985 -18.862   2.088
  614   HD12  LEU  79          2HD1      LEU  79   0.425 -19.226   1.348
  615   HD13  LEU  79          3HD1      LEU  79   1.671 -18.395   0.415
  616   HD21  LEU  79          3HD2      LEU  79   1.477 -17.330   3.858
  617   HD22  LEU  79          1HD2      LEU  79   0.111 -16.224   3.699
  618   HD23  LEU  79          2HD2      LEU  79  -0.156 -17.968   3.666
  619    H    GLY  80           H        GLY  80   3.930 -13.745   2.026
  620    HA2  GLY  80           2HA      GLY  80   5.638 -12.631   0.867
  621    HA3  GLY  80           1HA      GLY  80   5.845 -14.051  -0.149
  622    H    LYS  81           H        LYS  81   2.755 -12.603   0.514
  623    HA   LYS  81           HA       LYS  81   2.264 -12.113  -2.301
  624    HB2  LYS  81           1HB      LYS  81   0.506 -11.279   0.006
  625    HB3  LYS  81           2HB      LYS  81   0.032 -11.622  -1.652
  626    HG2  LYS  81           1HG      LYS  81   0.424 -13.974  -1.332
  627    HG3  LYS  81           2HG      LYS  81   1.058 -13.679   0.290
  628    HD2  LYS  81           1HD      LYS  81  -1.155 -14.389   0.621
  629    HD3  LYS  81           2HD      LYS  81  -1.202 -12.637   0.810
  630    HE2  LYS  81           1HE      LYS  81  -3.078 -13.265  -0.517
  631    HE3  LYS  81           2HE      LYS  81  -1.912 -12.484  -1.585
  632    HZ1  LYS  81           3HZ      LYS  81  -1.270 -14.548  -2.483
  633    HZ2  LYS  81           1HZ      LYS  81  -2.968 -14.587  -2.438
  634    HZ3  LYS  81           2HZ      LYS  81  -2.066 -15.426  -1.270
  635    H    ASP  82           H        ASP  82   3.231 -10.510   0.561
  636    HA   ASP  82           HA       ASP  82   2.680  -7.830  -0.185
  637    HB2  ASP  82           1HB      ASP  82   4.239  -7.251   1.654
  638    HB3  ASP  82           2HB      ASP  82   2.992  -8.385   2.145
  639    H    LYS  83           H        LYS  83   5.493  -9.937  -0.464
  640    HA   LYS  83           HA       LYS  83   7.058  -7.829  -1.678
  641    HB2  LYS  83           1HB      LYS  83   7.678 -10.753  -1.241
  642    HB3  LYS  83           2HB      LYS  83   8.814  -9.576  -1.885
  643    HG2  LYS  83           1HG      LYS  83   7.552  -9.485   0.849
  644    HG3  LYS  83           2HG      LYS  83   9.192 -10.016   0.486
  645    HD2  LYS  83           1HD      LYS  83   8.108  -7.253  -0.062
  646    HD3  LYS  83           2HD      LYS  83   9.092  -7.695   1.331
  647    HE2  LYS  83           1HE      LYS  83  10.946  -8.261  -0.098
  648    HE3  LYS  83           2HE      LYS  83   9.964  -8.000  -1.539
  649    HZ1  LYS  83           3HZ      LYS  83   9.778  -5.663  -0.114
  650    HZ2  LYS  83           1HZ      LYS  83  10.701  -5.927  -1.509
  651    HZ3  LYS  83           2HZ      LYS  83  11.412  -6.105   0.020
  652    H    ASP  84           H        ASP  84   4.595  -8.782  -3.026
  653    HA   ASP  84           HA       ASP  84   5.591  -9.996  -5.470
  654    HB2  ASP  84           1HB      ASP  84   3.236 -10.372  -4.584
  655    HB3  ASP  84           2HB      ASP  84   2.886  -8.711  -5.051
  656    H    GLY  85           H        GLY  85   4.149  -6.873  -4.507
  657    HA2  GLY  85           2HA      GLY  85   6.203  -5.378  -5.632
  658    HA3  GLY  85           1HA      GLY  85   4.937  -5.471  -6.843
  659    H    CYS  86           H        CYS  86   4.582  -3.309  -6.787
  660    HA   CYS  86           HA       CYS  86   4.112  -1.733  -4.514
  661    HB2  CYS  86           1HB      CYS  86   4.854  -0.794  -6.587
  662    HB3  CYS  86           2HB      CYS  86   3.467  -1.433  -7.446
  663    HA   PRO  87           HA       PRO  87  -0.070  -3.122  -3.665
  664    HB2  PRO  87           1HB      PRO  87  -0.356  -1.883  -1.306
  665    HB3  PRO  87           2HB      PRO  87   0.740  -3.260  -1.503
  666    HG2  PRO  87           1HG      PRO  87   1.367  -0.333  -1.473
  667    HG3  PRO  87           2HG      PRO  87   2.205  -1.660  -0.649
  668    HD2  PRO  87           1HD      PRO  87   3.064  -0.573  -3.003
  669    HD3  PRO  87           2HD      PRO  87   3.377  -2.254  -2.529
  670    H    ARG  88           H        ARG  88   0.129  -1.006  -5.544
  671    HA   ARG  88           HA       ARG  88  -1.831   0.961  -4.584
  672    HB2  ARG  88           1HB      ARG  88   0.105   0.924  -6.880
  673    HB3  ARG  88           2HB      ARG  88  -1.262   2.029  -6.872
  674    HG2  ARG  88           1HG      ARG  88   0.616   1.915  -4.552
  675    HG3  ARG  88           2HG      ARG  88   1.014   2.843  -6.000
  676    HD2  ARG  88           1HD      ARG  88  -1.480   3.169  -4.344
  677    HD3  ARG  88           2HD      ARG  88  -0.065   4.217  -4.271
  678    HE   ARG  88           HE       ARG  88  -0.992   4.091  -6.927
  679   HH11  ARG  88          2HH1      ARG  88  -1.900   5.390  -3.810
  680   HH12  ARG  88          1HH1      ARG  88  -2.816   6.702  -4.481
  681   HH21  ARG  88          2HH2      ARG  88  -2.165   5.811  -7.818
  682   HH22  ARG  88          1HH2      ARG  88  -2.959   6.949  -6.769
  683    H    ILE  89           H        ILE  89  -3.811   1.227  -5.595
  684    HA   ILE  89           HA       ILE  89  -4.613  -0.923  -7.435
  685    HB   ILE  89           HB       ILE  89  -6.328   1.145  -6.046
  686   HG12  ILE  89          1HG1      ILE  89  -5.359  -0.386  -4.427
  687   HG13  ILE  89          2HG1      ILE  89  -7.069  -0.751  -4.631
  688   HG21  ILE  89          1HG2      ILE  89  -8.162   0.287  -7.062
  689   HG22  ILE  89          2HG2      ILE  89  -6.984  -0.124  -8.311
  690   HG23  ILE  89          3HG2      ILE  89  -7.491  -1.343  -7.140
  691   HD11  ILE  89          3HD1      ILE  89  -6.640  -2.735  -5.745
  692   HD12  ILE  89          1HD1      ILE  89  -4.999  -2.253  -6.179
  693   HD13  ILE  89          2HD1      ILE  89  -5.378  -2.686  -4.511
  694    H    LEU  90           H        LEU  90  -4.682  -0.507  -9.560
  695    HA   LEU  90           HA       LEU  90  -5.405   2.038 -10.666
  696    HB2  LEU  90           1HB      LEU  90  -3.279   2.572 -11.657
  697    HB3  LEU  90           2HB      LEU  90  -3.130   2.523  -9.916
  698    HG   LEU  90           HG       LEU  90  -2.401   0.082 -11.476
  699   HD11  LEU  90          1HD1      LEU  90  -1.261   1.810 -12.714
  700   HD12  LEU  90          2HD1      LEU  90  -0.693   2.557 -11.220
  701   HD13  LEU  90          3HD1      LEU  90  -0.092   0.969 -11.696
  702   HD21  LEU  90          3HD2      LEU  90  -1.846   1.277  -8.840
  703   HD22  LEU  90          1HD2      LEU  90  -2.095  -0.410  -9.302
  704   HD23  LEU  90          2HD2      LEU  90  -0.538   0.372  -9.601
  705    H    ASN  91           H        ASN  91  -4.092  -1.172 -11.113
  706    HA   ASN  91           HA       ASN  91  -3.447  -1.773 -13.497
  707    HB2  ASN  91           1HB      ASN  91  -4.517  -3.285 -11.634
  708    HB3  ASN  91           2HB      ASN  91  -5.906  -3.280 -12.707
  709   HD21  ASN  91          1HD2      ASN  91  -4.033  -5.364 -11.822
  710   HD22  ASN  91          2HD2      ASN  91  -3.492  -6.111 -13.267
  711    H    LEU  92           H        LEU  92  -6.985  -1.623 -13.067
  712    HA   LEU  92           HA       LEU  92  -7.381  -0.071 -15.407
  713    HB2  LEU  92           1HB      LEU  92  -8.910  -2.127 -16.282
  714    HB3  LEU  92           2HB      LEU  92  -7.343  -1.693 -16.922
  715    HG   LEU  92           HG       LEU  92  -6.278  -3.435 -15.598
  716   HD11  LEU  92          1HD1      LEU  92  -7.797  -5.115 -14.456
  717   HD12  LEU  92          2HD1      LEU  92  -7.542  -3.585 -13.615
  718   HD13  LEU  92          3HD1      LEU  92  -9.043  -3.867 -14.497
  719   HD21  LEU  92          3HD2      LEU  92  -8.706  -4.381 -17.094
  720   HD22  LEU  92          1HD2      LEU  92  -7.145  -3.952 -17.800
  721   HD23  LEU  92          2HD2      LEU  92  -7.274  -5.350 -16.729
  722    H    GLY  93           H        GLY  93  -9.409   0.767 -15.536
  723    HA2  GLY  93           2HA      GLY  93 -11.200   0.086 -13.294
  724    HA3  GLY  93           1HA      GLY  93 -11.204   1.609 -14.174
  725    H    SER  94           H        SER  94 -12.908  -1.077 -13.699
  726    HA   SER  94           HA       SER  94 -14.719  -1.993 -14.674
  727    HB2  SER  94           1HB      SER  94 -14.338   0.049 -16.872
  728    HB3  SER  94           2HB      SER  94 -15.762  -0.964 -16.649
  729    HG   SER  94           HG       SER  94 -15.317   1.393 -15.588
  730    H    ASN  95           H        ASN  95 -12.203  -1.290 -17.062
  731    HA   ASN  95           HA       ASN  95 -12.572  -3.716 -18.527
  732    HB2  ASN  95           1HB      ASN  95 -10.297  -1.758 -18.262
  733    HB3  ASN  95           2HB      ASN  95 -10.093  -3.275 -19.131
  734   HD21  ASN  95          1HD2      ASN  95 -10.299  -3.069 -21.212
  735   HD22  ASN  95          2HD2      ASN  95 -11.343  -1.966 -22.041
  736    H    ARG  96           H        ARG  96 -11.763  -5.709 -18.100
  737    HA   ARG  96           HA       ARG  96 -10.186  -5.955 -15.627
  738    HB2  ARG  96           1HB      ARG  96 -12.717  -7.225 -16.417
  739    HB3  ARG  96           2HB      ARG  96 -11.518  -8.330 -15.758
  740    HG2  ARG  96           1HG      ARG  96 -12.601  -5.859 -14.431
  741    HG3  ARG  96           2HG      ARG  96 -12.964  -7.533 -14.005
  742    HD2  ARG  96           1HD      ARG  96 -10.476  -7.826 -13.587
  743    HD3  ARG  96           2HD      ARG  96 -10.344  -6.071 -13.727
  744    HE   ARG  96           HE       ARG  96 -11.268  -5.852 -11.653
  745   HH11  ARG  96          2HH1      ARG  96 -11.720  -9.151 -12.751
  746   HH12  ARG  96          1HH1      ARG  96 -12.528  -9.659 -11.292
  747   HH21  ARG  96          2HH2      ARG  96 -12.266  -6.535  -9.700
  748   HH22  ARG  96          1HH2      ARG  96 -12.797  -8.182  -9.553
  749    H    LEU  97           H        LEU  97 -10.112  -8.822 -15.859
  750    HA   LEU  97           HA       LEU  97  -7.848  -8.979 -17.659
  751    HB2  LEU  97           1HB      LEU  97  -8.945 -11.121 -15.842
  752    HB3  LEU  97           2HB      LEU  97  -7.337 -11.037 -16.541
  753    HG   LEU  97           HG       LEU  97  -8.466  -9.189 -14.427
  754   HD11  LEU  97          1HD1      LEU  97  -7.680 -11.648 -13.940
  755   HD12  LEU  97          2HD1      LEU  97  -6.074 -10.929 -14.066
  756   HD13  LEU  97          3HD1      LEU  97  -7.220 -10.321 -12.872
  757   HD21  LEU  97          3HD2      LEU  97  -5.588  -9.159 -15.084
  758   HD22  LEU  97          1HD2      LEU  97  -6.664  -8.434 -16.279
  759   HD23  LEU  97          2HD2      LEU  97  -6.665  -7.842 -14.618
  760    H    ASP  98           H        ASP  98 -10.521  -8.761 -18.750
  761    HA   ASP  98           HA       ASP  98 -11.155 -11.320 -19.922
  762    HB2  ASP  98           1HB      ASP  98 -12.998  -9.798 -19.581
  763    HB3  ASP  98           2HB      ASP  98 -12.165  -8.523 -20.464
  764    H    ARG  99           H        ARG  99 -10.528 -12.044 -21.879
  765    HA   ARG  99           HA       ARG  99  -9.219 -12.296 -23.719
  766    HB2  ARG  99           1HB      ARG  99 -10.491 -10.221 -24.429
  767    HB3  ARG  99           2HB      ARG  99  -9.118  -9.280 -23.866
  768    HG2  ARG  99           1HG      ARG  99  -7.701 -10.601 -25.478
  769    HG3  ARG  99           2HG      ARG  99  -9.207 -11.244 -26.137
  770    HD2  ARG  99           1HD      ARG  99  -8.555  -9.383 -27.489
  771    HD3  ARG  99           2HD      ARG  99  -9.953  -8.895 -26.533
  772    HE   ARG  99           HE       ARG  99  -7.210  -7.932 -26.275
  773   HH11  ARG  99          2HH1      ARG  99 -10.512  -7.873 -25.045
  774   HH12  ARG  99          1HH1      ARG  99 -10.224  -6.518 -23.993
  775   HH21  ARG  99          2HH2      ARG  99  -6.852  -6.141 -24.902
  776   HH22  ARG  99          1HH2      ARG  99  -8.161  -5.519 -23.942
  777    H    HIS 100           H        HIS 100  -8.097 -12.279 -21.145
  778    HA   HIS 100           HA       HIS 100  -5.375 -11.297 -21.724
  779    HB2  HIS 100           1HB      HIS 100  -6.923 -11.187 -19.150
  780    HB3  HIS 100           2HB      HIS 100  -5.168 -11.282 -19.124
  781    HD1  HIS 100           HD1      HIS 100  -7.729  -9.088 -20.938
  782    HD2  HIS 100           HD2      HIS 100  -4.090  -8.844 -18.936
  783    HE1  HIS 100           HE1      HIS 100  -7.126  -6.650 -20.923
  784    HE2  HIS 100           HE2      HIS 100  -4.984  -6.509 -19.600
  785    H    PHE 101           H        PHE 101  -7.353 -13.645 -19.999
  786    HA   PHE 101           HA       PHE 101  -7.077 -15.817 -19.465
  787    HB2  PHE 101           1HB      PHE 101  -5.089 -15.629 -21.723
  788    HB3  PHE 101           2HB      PHE 101  -5.403 -17.138 -20.877
  789    HD1  PHE 101           HD1      PHE 101  -7.503 -14.386 -22.305
  790    HD2  PHE 101           HD2      PHE 101  -6.746 -18.566 -22.046
  791    HE1  PHE 101           HE1      PHE 101  -9.424 -14.821 -23.775
  792    HE2  PHE 101           HE2      PHE 101  -8.661 -19.006 -23.526
  793    HZ   PHE 101           HZ       PHE 101 -10.006 -17.133 -24.388
  794    H    GLU 102           H        GLU 102  -3.695 -15.709 -20.305
  795    HA   GLU 102           HA       GLU 102  -1.804 -16.042 -19.116
  796    HB2  GLU 102           1HB      GLU 102  -3.265 -14.432 -17.018
  797    HB3  GLU 102           2HB      GLU 102  -1.543 -14.793 -17.002
  798    HG2  GLU 102           1HG      GLU 102  -1.294 -13.585 -19.134
  799    HG3  GLU 102           2HG      GLU 102  -3.008 -13.179 -19.080
  800    H    LYS 103           H        LYS 103  -3.735 -18.000 -19.111
  801    HA   LYS 103           HA       LYS 103  -2.878 -19.556 -16.810
  802    HB2  LYS 103           1HB      LYS 103  -5.790 -19.523 -17.655
  803    HB3  LYS 103           2HB      LYS 103  -5.085 -20.420 -16.319
  804    HG2  LYS 103           1HG      LYS 103  -4.607 -18.317 -15.161
  805    HG3  LYS 103           2HG      LYS 103  -5.332 -17.424 -16.500
  806    HD2  LYS 103           1HD      LYS 103  -7.453 -18.692 -16.082
  807    HD3  LYS 103           2HD      LYS 103  -6.701 -19.349 -14.627
  808    HE2  LYS 103           1HE      LYS 103  -7.246 -16.446 -15.230
  809    HE3  LYS 103           2HE      LYS 103  -8.069 -17.452 -14.038
  810    HZ1  LYS 103           3HZ      LYS 103  -6.582 -16.537 -12.648
  811    HZ2  LYS 103           1HZ      LYS 103  -5.502 -16.124 -13.886
  812    HZ3  LYS 103           2HZ      LYS 103  -5.518 -17.703 -13.265
  813    H    LYS 104           H        LYS 104  -4.821 -19.413 -19.724
  814    HA   LYS 104           HA       LYS 104  -3.312 -21.677 -20.819
  815    HB2  LYS 104           1HB      LYS 104  -6.246 -21.064 -21.257
  816    HB3  LYS 104           2HB      LYS 104  -5.324 -22.222 -22.209
  817    HG2  LYS 104           1HG      LYS 104  -4.908 -23.544 -20.202
  818    HG3  LYS 104           2HG      LYS 104  -5.824 -22.381 -19.245
  819    HD2  LYS 104           1HD      LYS 104  -7.021 -23.819 -21.598
  820    HD3  LYS 104           2HD      LYS 104  -7.029 -24.509 -19.976
  821    HE2  LYS 104           1HE      LYS 104  -9.095 -23.458 -20.113
  822    HE3  LYS 104           2HE      LYS 104  -8.103 -22.272 -19.271
  823    HZ1  LYS 104           3HZ      LYS 104  -9.383 -22.106 -21.843
  824    HZ2  LYS 104           1HZ      LYS 104  -7.767 -21.600 -21.872
  825    HZ3  LYS 104           2HZ      LYS 104  -8.867 -20.868 -20.810
  826    H    LYS 105           H        LYS 105  -2.892 -21.432 -23.125
  827    HA   LYS 105           HA       LYS 105  -2.140 -18.786 -23.716
  828    HB2  LYS 105           1HB      LYS 105  -2.223 -21.241 -25.477
  829    HB3  LYS 105           2HB      LYS 105  -1.559 -19.703 -26.000
  830    HG2  LYS 105           1HG      LYS 105   0.281 -21.010 -25.343
  831    HG3  LYS 105           2HG      LYS 105   0.021 -19.859 -24.030
  832    HD2  LYS 105           1HD      LYS 105  -1.145 -21.568 -22.745
  833    HD3  LYS 105           2HD      LYS 105  -0.946 -22.719 -24.068
  834    HE2  LYS 105           1HE      LYS 105   1.476 -22.608 -23.802
  835    HE3  LYS 105           2HE      LYS 105   1.288 -21.431 -22.501
  836    HZ1  LYS 105           3HZ      LYS 105   1.634 -23.794 -21.780
  837    HZ2  LYS 105           1HZ      LYS 105   0.094 -24.146 -22.400
  838    HZ3  LYS 105           2HZ      LYS 105   0.265 -23.036 -21.130
  839    H    LYS 106           H        LYS 106  -3.207 -17.167 -24.593
  840    HA   LYS 106           HA       LYS 106  -5.888 -17.575 -25.599
  841    HB2  LYS 106           1HB      LYS 106  -5.969 -15.122 -25.783
  842    HB3  LYS 106           2HB      LYS 106  -5.469 -15.644 -24.182
  843    HG2  LYS 106           1HG      LYS 106  -3.190 -15.079 -24.634
  844    HG3  LYS 106           2HG      LYS 106  -3.556 -14.750 -26.329
  845    HD2  LYS 106           1HD      LYS 106  -4.973 -12.879 -25.671
  846    HD3  LYS 106           2HD      LYS 106  -4.668 -13.230 -23.969
  847    HE2  LYS 106           1HE      LYS 106  -3.286 -11.378 -24.763
  848    HE3  LYS 106           2HE      LYS 106  -2.301 -12.760 -24.282
  849    HZ1  LYS 106           3HZ      LYS 106  -1.407 -12.808 -26.287
  850    HZ2  LYS 106           1HZ      LYS 106  -2.296 -11.430 -26.722
  851    HZ3  LYS 106           2HZ      LYS 106  -2.928 -12.972 -27.020
  852    H    VAL 107           H        VAL 107  -6.574 -17.332 -27.682
  853    HA   VAL 107           HA       VAL 107  -4.604 -17.726 -29.731
  854    HB   VAL 107           HB       VAL 107  -7.583 -17.261 -29.994
  855   HG11  VAL 107          1HG1      VAL 107  -6.555 -18.795 -32.128
  856   HG12  VAL 107          2HG1      VAL 107  -7.245 -17.174 -32.186
  857   HG13  VAL 107          3HG1      VAL 107  -5.510 -17.384 -31.955
  858   HG21  VAL 107          3HG2      VAL 107  -5.947 -19.779 -29.764
  859   HG22  VAL 107          1HG2      VAL 107  -7.272 -19.242 -28.730
  860   HG23  VAL 107          2HG2      VAL 107  -7.598 -19.758 -30.385
  Start of MODEL    7
    1    H1   GLY  -1           1H       GLY  -1   2.332 -15.377 -12.379
    2    H2   GLY  -1           2H       GLY  -1   3.131 -16.338 -11.232
    3    H3   GLY  -1           3H       GLY  -1   2.657 -17.007 -12.716
    4    HA2  GLY  -1           1HA      GLY  -1   4.903 -15.230 -12.105
    5    HA3  GLY  -1           2HA      GLY  -1   4.863 -16.666 -13.119
    6    H    GLY   0           H        GLY   0   2.671 -16.051 -14.738
    7    HA2  GLY   0           2HA      GLY   0   3.917 -14.359 -16.656
    8    HA3  GLY   0           1HA      GLY   0   2.302 -15.038 -16.767
    9    H    SER   1           H        SER   1   3.692 -12.269 -17.086
   10    HA   SER   1           HA       SER   1   2.256 -10.606 -15.230
   11    HB2  SER   1           1HB      SER   1   3.219  -8.764 -16.735
   12    HB3  SER   1           2HB      SER   1   4.372  -9.788 -15.877
   13    HG   SER   1           HG       SER   1   4.712 -10.954 -17.764
   14    H    SER   2           H        SER   2   0.424 -12.175 -16.589
   15    HA   SER   2           HA       SER   2  -0.784 -10.703 -18.739
   16    HB2  SER   2           1HB      SER   2  -2.728 -12.338 -18.156
   17    HB3  SER   2           2HB      SER   2  -1.244 -12.987 -18.856
   18    HG   SER   2           HG       SER   2  -1.989 -14.169 -17.012
   19    H    ARG   3           H        ARG   3  -0.972 -10.815 -15.302
   20    HA   ARG   3           HA       ARG   3  -1.998  -9.552 -13.742
   21    HB2  ARG   3           1HB      ARG   3  -2.696  -7.800 -16.100
   22    HB3  ARG   3           2HB      ARG   3  -3.086  -7.393 -14.434
   23    HG2  ARG   3           1HG      ARG   3  -0.662  -7.531 -13.898
   24    HG3  ARG   3           2HG      ARG   3  -0.344  -7.758 -15.618
   25    HD2  ARG   3           1HD      ARG   3  -1.808  -5.391 -14.468
   26    HD3  ARG   3           2HD      ARG   3  -0.079  -5.409 -14.807
   27    HE   ARG   3           HE       ARG   3  -1.357  -6.164 -17.148
   28   HH11  ARG   3          2HH1      ARG   3  -1.296  -3.382 -15.041
   29   HH12  ARG   3          1HH1      ARG   3  -1.561  -2.237 -16.324
   30   HH21  ARG   3          2HH2      ARG   3  -1.671  -4.681 -18.856
   31   HH22  ARG   3          1HH2      ARG   3  -1.765  -2.974 -18.504
   32    H    HIS   4           H        HIS   4  -3.186 -11.799 -14.620
   33    HA   HIS   4           HA       HIS   4  -5.986 -11.211 -14.053
   34    HB2  HIS   4           1HB      HIS   4  -5.832 -11.296 -16.522
   35    HB3  HIS   4           2HB      HIS   4  -5.127 -12.904 -16.419
   36    HD1  HIS   4           HD1      HIS   4  -8.234 -11.543 -14.676
   37    HD2  HIS   4           HD2      HIS   4  -7.085 -14.525 -17.340
   38    HE1  HIS   4           HE1      HIS   4 -10.317 -12.867 -15.153
   39    HE2  HIS   4           HE2      HIS   4  -9.559 -14.772 -16.615
   40    H    GLN   5           H        GLN   5  -3.343 -12.659 -13.131
   41    HA   GLN   5           HA       GLN   5  -3.976 -15.371 -12.702
   42    HB2  GLN   5           1HB      GLN   5  -1.716 -14.635 -12.429
   43    HB3  GLN   5           2HB      GLN   5  -2.182 -13.437 -11.231
   44    HG2  GLN   5           1HG      GLN   5  -2.766 -15.191  -9.677
   45    HG3  GLN   5           2HG      GLN   5  -2.332 -16.416 -10.871
   46   HE21  GLN   5          1HE2      GLN   5  -0.335 -17.161 -10.830
   47   HE22  GLN   5          2HE2      GLN   5   1.002 -16.429 -10.003
   48    H    PHE   6           H        PHE   6  -3.870 -12.852 -10.202
   49    HA   PHE   6           HA       PHE   6  -6.181 -14.116  -8.889
   50    HB2  PHE   6           1HB      PHE   6  -3.874 -12.498  -7.894
   51    HB3  PHE   6           2HB      PHE   6  -5.402 -12.389  -7.033
   52    HD1  PHE   6           HD2      PHE   6  -3.776 -15.335  -8.628
   53    HD2  PHE   6           HD1      PHE   6  -5.055 -13.446  -5.037
   54    HE1  PHE   6           HE2      PHE   6  -3.214 -17.370  -7.366
   55    HE2  PHE   6           HE1      PHE   6  -4.497 -15.484  -3.763
   56    HZ   PHE   6           HZ       PHE   6  -3.576 -17.448  -4.930
   57    H    ASP   7           H        ASP   7  -5.727 -11.995 -11.153
   58    HA   ASP   7           HA       ASP   7  -6.592 -10.029 -11.891
   59    HB2  ASP   7           1HB      ASP   7  -8.772 -11.226 -10.309
   60    HB3  ASP   7           2HB      ASP   7  -8.915  -9.490 -10.598
   61    H    LEU   8           H        LEU   8  -4.664  -9.766 -10.140
   62    HA   LEU   8           HA       LEU   8  -5.139  -8.466  -7.743
   63    HB2  LEU   8           1HB      LEU   8  -2.736  -8.193  -9.519
   64    HB3  LEU   8           2HB      LEU   8  -2.799  -7.958  -7.779
   65    HG   LEU   8           HG       LEU   8  -3.769 -10.473  -7.980
   66   HD11  LEU   8          1HD1      LEU   8  -2.291  -9.935 -10.436
   67   HD12  LEU   8          2HD1      LEU   8  -1.695 -11.331  -9.540
   68   HD13  LEU   8          3HD1      LEU   8  -3.389 -11.257 -10.035
   69   HD21  LEU   8          3HD2      LEU   8  -1.988  -9.402  -6.582
   70   HD22  LEU   8          1HD2      LEU   8  -1.769 -11.105  -6.987
   71   HD23  LEU   8          2HD2      LEU   8  -0.854  -9.867  -7.848
   72    H    ILE   9           H        ILE   9  -5.831  -6.505  -7.265
   73    HA   ILE   9           HA       ILE   9  -5.977  -4.495  -9.359
   74    HB   ILE   9           HB       ILE   9  -7.145  -4.226  -6.580
   75   HG12  ILE   9          1HG1      ILE   9  -9.337  -4.788  -7.689
   76   HG13  ILE   9          2HG1      ILE   9  -8.419  -5.334  -9.088
   77   HG21  ILE   9          1HG2      ILE   9  -8.451  -2.936  -8.839
   78   HG22  ILE   9          2HG2      ILE   9  -7.969  -2.266  -7.279
   79   HG23  ILE   9          3HG2      ILE   9  -6.787  -2.392  -8.589
   80   HD11  ILE   9          3HD1      ILE   9  -8.094  -7.287  -8.180
   81   HD12  ILE   9          1HD1      ILE   9  -7.414  -6.561  -6.719
   82   HD13  ILE   9          2HD1      ILE   9  -9.162  -6.812  -6.856
   83    H    MET  10           H        MET  10  -3.525  -4.910  -8.777
   84    HA   MET  10           HA       MET  10  -2.736  -2.434  -7.471
   85    HB2  MET  10           1HB      MET  10  -0.756  -3.874  -6.497
   86    HB3  MET  10           2HB      MET  10  -2.272  -3.689  -5.627
   87    HG2  MET  10           1HG      MET  10  -2.982  -5.858  -6.759
   88    HG3  MET  10           2HG      MET  10  -1.280  -6.051  -7.177
   89    HE1  MET  10           3HE      MET  10  -2.919  -5.750  -2.903
   90    HE2  MET  10           1HE      MET  10  -2.399  -4.299  -3.761
   91    HE3  MET  10           2HE      MET  10  -3.749  -5.262  -4.384
   92    H    CYS  11           H        CYS  11  -1.113  -1.445  -8.389
   93    HA   CYS  11           HA       CYS  11  -0.530  -1.981 -11.014
   94    HB2  CYS  11           1HB      CYS  11  -0.086   0.195 -10.688
   95    HB3  CYS  11           2HB      CYS  11   0.251  -0.047  -8.982
   96    H    LEU  12           H        LEU  12   1.218  -2.795  -8.125
   97    HA   LEU  12           HA       LEU  12   2.914  -4.157  -7.608
   98    HB2  LEU  12           1HB      LEU  12   1.667  -5.552  -9.942
   99    HB3  LEU  12           2HB      LEU  12   2.923  -6.288  -8.959
  100    HG   LEU  12           HG       LEU  12   0.209  -5.378  -8.006
  101   HD11  LEU  12          1HD1      LEU  12  -0.369  -7.609  -7.853
  102   HD12  LEU  12          2HD1      LEU  12   0.507  -7.522  -9.380
  103   HD13  LEU  12          3HD1      LEU  12   1.306  -8.151  -7.938
  104   HD21  LEU  12          3HD2      LEU  12   0.850  -6.338  -5.854
  105   HD22  LEU  12          1HD2      LEU  12   2.470  -6.656  -6.474
  106   HD23  LEU  12          2HD2      LEU  12   1.904  -4.995  -6.295
  107    H    LYS  13           H        LYS  13   3.863  -2.019  -9.304
  108    HA   LYS  13           HA       LYS  13   5.999  -3.232 -10.838
  109    HB2  LYS  13           1HB      LYS  13   5.401  -0.420  -9.984
  110    HB3  LYS  13           2HB      LYS  13   6.934  -0.858 -10.723
  111    HG2  LYS  13           1HG      LYS  13   5.627  -1.776 -12.645
  112    HG3  LYS  13           2HG      LYS  13   4.197  -1.028 -11.924
  113    HD2  LYS  13           1HD      LYS  13   5.402   1.126 -11.918
  114    HD3  LYS  13           2HD      LYS  13   6.709   0.341 -12.813
  115    HE2  LYS  13           1HE      LYS  13   3.857   0.380 -13.717
  116    HE3  LYS  13           2HE      LYS  13   5.047   1.570 -14.178
  117    HZ1  LYS  13           3HZ      LYS  13   6.413  -0.364 -15.000
  118    HZ2  LYS  13           1HZ      LYS  13   5.029   0.009 -15.906
  119    HZ3  LYS  13           2HZ      LYS  13   5.014  -1.307 -14.836
  120    H    GLN  14           H        GLN  14   8.185  -1.839 -10.081
  121    HA   GLN  14           HA       GLN  14   8.900  -3.266  -7.649
  122    HB2  GLN  14           1HB      GLN  14  10.366  -3.096  -9.704
  123    HB3  GLN  14           2HB      GLN  14  10.635  -1.413  -9.280
  124    HG2  GLN  14           1HG      GLN  14  12.481  -2.714  -8.512
  125    HG3  GLN  14           2HG      GLN  14  11.567  -2.142  -7.118
  126   HE21  GLN  14          1HE2      GLN  14  13.051  -4.751  -8.489
  127   HE22  GLN  14          2HE2      GLN  14  12.295  -6.020  -7.570
  128    HA   PRO  15           HA       PRO  15   7.727   0.283  -5.160
  129    HB2  PRO  15           1HB      PRO  15   8.940  -1.329  -3.024
  130    HB3  PRO  15           2HB      PRO  15   7.306  -0.672  -3.144
  131    HG2  PRO  15           1HG      PRO  15   7.773  -3.290  -3.446
  132    HG3  PRO  15           2HG      PRO  15   6.541  -2.453  -4.409
  133    HD2  PRO  15           1HD      PRO  15   9.300  -3.309  -5.182
  134    HD3  PRO  15           2HD      PRO  15   7.794  -3.369  -6.123
  135    H    GLY  16           H        GLY  16   8.794   2.031  -4.289
  136    HA2  GLY  16           2HA      GLY  16  11.738   1.847  -4.306
  137    HA3  GLY  16           1HA      GLY  16  10.823   3.325  -4.553
  138    H    VAL  17           H        VAL  17  11.688   4.523  -2.951
  139    HA   VAL  17           HA       VAL  17  11.916   3.518  -0.254
  140    HB   VAL  17           HB       VAL  17  13.616   5.059  -1.100
  141   HG11  VAL  17          1HG1      VAL  17  12.375   7.576  -0.958
  142   HG12  VAL  17          2HG1      VAL  17  13.057   6.784  -2.377
  143   HG13  VAL  17          3HG1      VAL  17  11.348   6.576  -1.987
  144   HG21  VAL  17          3HG2      VAL  17  13.171   4.997   1.304
  145   HG22  VAL  17          1HG2      VAL  17  13.692   6.599   0.785
  146   HG23  VAL  17          2HG2      VAL  17  11.988   6.292   1.120
  147    H    GLN  18           H        GLN  18   9.819   5.627  -2.087
  148    HA   GLN  18           HA       GLN  18   8.451   6.875  -0.031
  149    HB2  GLN  18           1HB      GLN  18   7.294   6.116  -2.709
  150    HB3  GLN  18           2HB      GLN  18   6.876   7.505  -1.714
  151    HG2  GLN  18           1HG      GLN  18   8.245   8.573  -3.137
  152    HG3  GLN  18           2HG      GLN  18   9.489   7.981  -2.059
  153   HE21  GLN  18          1HE2      GLN  18   8.552   8.246  -5.202
  154   HE22  GLN  18          2HE2      GLN  18   9.555   7.011  -5.905
  155    H    THR  19           H        THR  19   6.982   6.267   1.360
  156    HA   THR  19           HA       THR  19   5.958   3.554   1.332
  157    HB   THR  19           HB       THR  19   5.164   5.603   3.370
  158    HG1  THR  19           HG1      THR  19   7.378   5.950   3.202
  159   HG21  THR  19          1HG2      THR  19   4.838   2.861   3.112
  160   HG22  THR  19          2HG2      THR  19   4.595   3.810   4.578
  161   HG23  THR  19          3HG2      THR  19   6.147   3.027   4.282
  162    H    GLY  20           H        GLY  20   3.812   2.984   1.053
  163    HA2  GLY  20           2HA      GLY  20   2.190   4.754  -0.498
  164    HA3  GLY  20           1HA      GLY  20   1.726   3.161   0.084
  165    H    LEU  21           H        LEU  21   0.906   6.293   0.183
  166    HA   LEU  21           HA       LEU  21   0.361   6.594   2.963
  167    HB2  LEU  21           1HB      LEU  21  -0.349   8.223   0.543
  168    HB3  LEU  21           2HB      LEU  21  -0.996   8.607   2.125
  169    HG   LEU  21           HG       LEU  21   1.911   8.603   1.328
  170   HD11  LEU  21          1HD1      LEU  21   1.814  10.913   1.455
  171   HD12  LEU  21          2HD1      LEU  21   0.286  10.495   0.676
  172   HD13  LEU  21          3HD1      LEU  21   0.318  10.897   2.394
  173   HD21  LEU  21          3HD2      LEU  21   2.395   8.284   3.472
  174   HD22  LEU  21          1HD2      LEU  21   1.566   9.798   3.838
  175   HD23  LEU  21          2HD2      LEU  21   0.686   8.271   3.907
  176    H    LEU  22           H        LEU  22  -1.607   6.875   3.949
  177    HA   LEU  22           HA       LEU  22  -3.843   5.352   2.776
  178    HB2  LEU  22           1HB      LEU  22  -2.069   4.736   4.924
  179    HB3  LEU  22           2HB      LEU  22  -3.674   4.982   5.581
  180    HG   LEU  22           HG       LEU  22  -3.186   2.643   5.066
  181   HD11  LEU  22          1HD1      LEU  22  -5.494   3.887   4.796
  182   HD12  LEU  22          2HD1      LEU  22  -5.269   3.414   3.111
  183   HD13  LEU  22          3HD1      LEU  22  -5.308   2.184   4.373
  184   HD21  LEU  22          3HD2      LEU  22  -2.131   3.700   2.705
  185   HD22  LEU  22          1HD2      LEU  22  -2.271   1.999   3.153
  186   HD23  LEU  22          2HD2      LEU  22  -3.555   2.776   2.226
  187    H    CYS  23           H        CYS  23  -5.761   6.319   2.978
  188    HA   CYS  23           HA       CYS  23  -6.123   8.612   4.732
  189    HB2  CYS  23           1HB      CYS  23  -8.129   9.020   3.632
  190    HB3  CYS  23           2HB      CYS  23  -7.183   8.274   2.351
  191    H    GLU  24           H        GLU  24  -7.459   8.560   6.560
  192    HA   GLU  24           HA       GLU  24  -7.190   6.345   8.147
  193    HB2  GLU  24           1HB      GLU  24  -9.228   8.550   8.393
  194    HB3  GLU  24           2HB      GLU  24  -8.832   7.410   9.673
  195    HG2  GLU  24           1HG      GLU  24  -6.522   8.202   9.660
  196    HG3  GLU  24           2HG      GLU  24  -6.929   9.352   8.389
  197    H    LYS  25           H        LYS  25  -9.739   6.975   5.885
  198    HA   LYS  25           HA       LYS  25 -11.710   5.268   6.952
  199    HB2  LYS  25           1HB      LYS  25 -11.262   6.025   4.068
  200    HB3  LYS  25           2HB      LYS  25 -12.744   5.370   4.738
  201    HG2  LYS  25           1HG      LYS  25 -11.509   8.016   5.440
  202    HG3  LYS  25           2HG      LYS  25 -12.890   7.773   4.378
  203    HD2  LYS  25           1HD      LYS  25 -12.785   6.973   7.274
  204    HD3  LYS  25           2HD      LYS  25 -13.505   8.465   6.672
  205    HE2  LYS  25           1HE      LYS  25 -15.075   7.189   5.344
  206    HE3  LYS  25           2HE      LYS  25 -14.337   5.684   5.885
  207    HZ1  LYS  25           3HZ      LYS  25 -16.240   6.002   7.211
  208    HZ2  LYS  25           1HZ      LYS  25 -15.887   7.638   7.491
  209    HZ3  LYS  25           2HZ      LYS  25 -14.934   6.426   8.202
  210    H    CYS  26           H        CYS  26  -8.960   4.647   4.838
  211    HA   CYS  26           HA       CYS  26  -9.756   1.832   4.576
  212    HB2  CYS  26           1HB      CYS  26  -7.374   3.219   3.334
  213    HB3  CYS  26           2HB      CYS  26  -7.982   1.620   2.942
  214    H    ASP  27           H        ASP  27  -7.805   3.976   6.323
  215    HA   ASP  27           HA       ASP  27  -5.482   2.668   6.823
  216    HB2  ASP  27           1HB      ASP  27  -6.059   4.946   7.637
  217    HB3  ASP  27           2HB      ASP  27  -7.041   4.213   8.900
  218    H    GLY  28           H        GLY  28  -4.971   0.815   7.604
  219    HA2  GLY  28           2HA      GLY  28  -4.988  -0.665   9.593
  220    HA3  GLY  28           1HA      GLY  28  -6.737  -0.474   9.594
  221    H    LYS  29           H        LYS  29  -6.945  -0.591   6.718
  222    HA   LYS  29           HA       LYS  29  -7.177  -3.418   6.397
  223    HB2  LYS  29           1HB      LYS  29  -7.456  -1.157   4.409
  224    HB3  LYS  29           2HB      LYS  29  -7.864  -2.833   4.077
  225    HG2  LYS  29           1HG      LYS  29  -9.641  -2.799   5.639
  226    HG3  LYS  29           2HG      LYS  29  -9.134  -1.235   6.277
  227    HD2  LYS  29           1HD      LYS  29 -11.103  -1.096   4.779
  228    HD3  LYS  29           2HD      LYS  29  -9.727  -0.147   4.213
  229    HE2  LYS  29           1HE      LYS  29  -9.184  -1.767   2.565
  230    HE3  LYS  29           2HE      LYS  29 -10.323  -2.933   3.240
  231    HZ1  LYS  29           3HZ      LYS  29 -11.013  -1.638   1.168
  232    HZ2  LYS  29           1HZ      LYS  29 -11.247  -0.319   2.213
  233    HZ3  LYS  29           2HZ      LYS  29 -12.129  -1.749   2.437
  234    H    CYS  30           H        CYS  30  -5.743  -4.795   5.618
  235    HA   CYS  30           HA       CYS  30  -3.182  -3.938   4.607
  236    HB2  CYS  30           1HB      CYS  30  -3.135  -5.956   5.843
  237    HB3  CYS  30           2HB      CYS  30  -4.541  -6.597   5.006
  238    HA   PRO  31           HA       PRO  31  -4.871  -3.067   0.583
  239    HB2  PRO  31           1HB      PRO  31  -2.392  -3.247  -0.726
  240    HB3  PRO  31           2HB      PRO  31  -3.117  -1.791  -0.041
  241    HG2  PRO  31           1HG      PRO  31  -1.059  -3.610   1.118
  242    HG3  PRO  31           2HG      PRO  31  -1.228  -1.851   1.273
  243    HD2  PRO  31           1HD      PRO  31  -1.898  -3.484   3.278
  244    HD3  PRO  31           2HD      PRO  31  -2.853  -2.030   2.923
  245    H    ILE  32           H        ILE  32  -2.606  -5.740   1.012
  246    HA   ILE  32           HA       ILE  32  -3.026  -6.965  -1.472
  247    HB   ILE  32           HB       ILE  32  -2.194  -8.310   1.100
  248   HG12  ILE  32          1HG1      ILE  32  -0.824  -6.292   0.267
  249   HG13  ILE  32          2HG1      ILE  32   0.041  -7.785   0.611
  250   HG21  ILE  32          1HG2      ILE  32  -1.422 -10.107  -0.157
  251   HG22  ILE  32          2HG2      ILE  32  -2.964  -9.711  -0.918
  252   HG23  ILE  32          3HG2      ILE  32  -1.452  -9.193  -1.664
  253   HD11  ILE  32          3HD1      ILE  32   0.603  -8.115  -1.552
  254   HD12  ILE  32          1HD1      ILE  32  -0.883  -7.385  -2.169
  255   HD13  ILE  32          2HD1      ILE  32   0.433  -6.360  -1.598
  256    H    CYS  33           H        CYS  33  -4.609  -7.582   1.674
  257    HA   CYS  33           HA       CYS  33  -6.384  -9.432   0.234
  258    HB2  CYS  33           1HB      CYS  33  -6.519 -10.764   2.271
  259    HB3  CYS  33           2HB      CYS  33  -4.846 -10.562   1.766
  260    H    ASP  34           H        ASP  34  -6.379  -6.549   1.980
  261    HA   ASP  34           HA       ASP  34  -7.996  -5.186   2.780
  262    HB2  ASP  34           1HB      ASP  34  -9.689  -7.025   1.106
  263    HB3  ASP  34           2HB      ASP  34 -10.413  -5.734   2.058
  264    H    SER  35           H        SER  35  -7.286  -6.125   4.850
  265    HA   SER  35           HA       SER  35  -9.544  -6.927   6.415
  266    HB2  SER  35           1HB      SER  35  -8.691  -9.093   5.381
  267    HB3  SER  35           2HB      SER  35  -7.218  -8.858   6.317
  268    HG   SER  35           HG       SER  35  -9.656  -9.782   7.105
  269    H    TYR  36           H        TYR  36  -9.253  -6.440   8.558
  270    HA   TYR  36           HA       TYR  36  -6.968  -4.775   9.181
  271    HB2  TYR  36           1HB      TYR  36  -9.439  -5.497  10.768
  272    HB3  TYR  36           2HB      TYR  36  -8.182  -4.418  11.357
  273    HD1  TYR  36           HD1      TYR  36 -10.290  -4.799   8.279
  274    HD2  TYR  36           HD2      TYR  36  -8.607  -2.175  11.170
  275    HE1  TYR  36           HE1      TYR  36 -11.419  -2.904   7.204
  276    HE2  TYR  36           HE2      TYR  36  -9.734  -0.270  10.104
  277    HH   TYR  36           HH       TYR  36 -11.751  -0.702   7.205
  278    H    VAL  37           H        VAL  37  -6.056  -7.310   8.823
  279    HA   VAL  37           HA       VAL  37  -5.704  -8.487  11.471
  280    HB   VAL  37           HB       VAL  37  -6.239 -10.061   9.727
  281   HG11  VAL  37          1HG1      VAL  37  -4.385 -10.412   7.934
  282   HG12  VAL  37          2HG1      VAL  37  -5.638  -9.190   7.709
  283   HG13  VAL  37          3HG1      VAL  37  -4.033  -8.715   8.263
  284   HG21  VAL  37          3HG2      VAL  37  -4.956 -11.309  11.090
  285   HG22  VAL  37          1HG2      VAL  37  -3.863 -11.317   9.707
  286   HG23  VAL  37          2HG2      VAL  37  -3.602 -10.182  11.032
  287    H    ARG  38           H        ARG  38  -3.606  -8.960  12.271
  288    HA   ARG  38           HA       ARG  38  -2.018  -6.967  12.878
  289    HB2  ARG  38           1HB      ARG  38  -1.014  -9.745  12.264
  290    HB3  ARG  38           2HB      ARG  38  -0.167  -8.559  13.247
  291    HG2  ARG  38           1HG      ARG  38  -1.726  -8.699  14.969
  292    HG3  ARG  38           2HG      ARG  38  -2.934  -9.462  13.931
  293    HD2  ARG  38           1HD      ARG  38  -1.698 -11.496  13.859
  294    HD3  ARG  38           2HD      ARG  38  -0.309 -10.747  14.646
  295    HE   ARG  38           HE       ARG  38  -2.338 -10.452  16.446
  296   HH11  ARG  38          2HH1      ARG  38  -1.072 -13.193  14.690
  297   HH12  ARG  38          1HH1      ARG  38  -1.234 -14.302  16.019
  298   HH21  ARG  38          2HH2      ARG  38  -2.583 -11.893  18.208
  299   HH22  ARG  38          1HH2      ARG  38  -2.114 -13.561  18.026
  300    HA   PRO  39           HA       PRO  39   0.162  -5.656   9.176
  301    HB2  PRO  39           1HB      PRO  39   1.437  -3.586  10.321
  302    HB3  PRO  39           2HB      PRO  39  -0.284  -3.515   9.921
  303    HG2  PRO  39           1HG      PRO  39   1.027  -4.001  12.560
  304    HG3  PRO  39           2HG      PRO  39  -0.403  -3.026  12.182
  305    HD2  PRO  39           1HD      PRO  39  -0.501  -5.571  13.208
  306    HD3  PRO  39           2HD      PRO  39  -1.798  -4.833  12.247
  307    H    LYS  40           H        LYS  40   2.236  -5.954   8.428
  308    HA   LYS  40           HA       LYS  40   4.173  -7.018  10.377
  309    HB2  LYS  40           1HB      LYS  40   3.090  -8.806   9.088
  310    HB3  LYS  40           2HB      LYS  40   3.593  -8.034   7.590
  311    HG2  LYS  40           1HG      LYS  40   5.042  -9.895   8.100
  312    HG3  LYS  40           2HG      LYS  40   5.940  -8.381   8.214
  313    HD2  LYS  40           1HD      LYS  40   5.699  -8.411  10.641
  314    HD3  LYS  40           2HD      LYS  40   4.782  -9.913  10.537
  315    HE2  LYS  40           1HE      LYS  40   6.724 -11.031   9.563
  316    HE3  LYS  40           2HE      LYS  40   7.639  -9.528   9.656
  317    HZ1  LYS  40           3HZ      LYS  40   6.978 -11.424  11.738
  318    HZ2  LYS  40           1HZ      LYS  40   6.803  -9.795  12.179
  319    HZ3  LYS  40           2HZ      LYS  40   8.296 -10.362  11.613
  320    H    ARG  41           H        ARG  41   3.885  -5.655   7.081
  321    HA   ARG  41           HA       ARG  41   6.490  -4.363   7.517
  322    HB2  ARG  41           1HB      ARG  41   6.585  -6.552   6.159
  323    HB3  ARG  41           2HB      ARG  41   5.777  -5.646   4.888
  324    HG2  ARG  41           1HG      ARG  41   8.137  -5.661   4.469
  325    HG3  ARG  41           2HG      ARG  41   7.643  -4.025   4.913
  326    HD2  ARG  41           1HD      ARG  41   8.416  -4.418   7.201
  327    HD3  ARG  41           2HD      ARG  41   8.916  -6.047   6.753
  328    HE   ARG  41           HE       ARG  41  10.200  -4.294   5.018
  329   HH11  ARG  41          2HH1      ARG  41  10.139  -4.991   8.455
  330   HH12  ARG  41          1HH1      ARG  41  11.788  -4.487   8.714
  331   HH21  ARG  41          2HH2      ARG  41  12.369  -3.629   5.365
  332   HH22  ARG  41          1HH2      ARG  41  13.048  -3.733   6.961
  333    H    LYS  42           H        LYS  42   6.697  -2.335   6.678
  334    HA   LYS  42           HA       LYS  42   4.348  -0.916   5.992
  335    HB2  LYS  42           1HB      LYS  42   7.212  -0.055   5.550
  336    HB3  LYS  42           2HB      LYS  42   5.802   0.992   5.573
  337    HG2  LYS  42           1HG      LYS  42   5.474   0.105   7.976
  338    HG3  LYS  42           2HG      LYS  42   7.163  -0.392   7.844
  339    HD2  LYS  42           1HD      LYS  42   7.166   1.767   8.831
  340    HD3  LYS  42           2HD      LYS  42   7.682   1.982   7.156
  341    HE2  LYS  42           1HE      LYS  42   5.344   2.587   6.572
  342    HE3  LYS  42           2HE      LYS  42   4.930   2.488   8.279
  343    HZ1  LYS  42           3HZ      LYS  42   6.923   4.349   7.100
  344    HZ2  LYS  42           1HZ      LYS  42   6.502   4.256   8.742
  345    HZ3  LYS  42           2HZ      LYS  42   5.354   4.767   7.597
  346    H    VAL  43           H        VAL  43   3.485  -0.327   4.144
  347    HA   VAL  43           HA       VAL  43   4.285  -1.702   1.752
  348    HB   VAL  43           HB       VAL  43   2.036   0.163   2.460
  349   HG11  VAL  43          1HG1      VAL  43   2.965   0.389   0.063
  350   HG12  VAL  43          2HG1      VAL  43   2.199  -1.177  -0.195
  351   HG13  VAL  43          3HG1      VAL  43   1.229   0.208   0.309
  352   HG21  VAL  43          3HG2      VAL  43   1.249  -2.336   1.336
  353   HG22  VAL  43          1HG2      VAL  43   2.423  -2.624   2.621
  354   HG23  VAL  43          2HG2      VAL  43   0.956  -1.705   2.958
  355    H    ARG  44           H        ARG  44   5.589  -0.925   0.227
  356    HA   ARG  44           HA       ARG  44   6.082   1.977   0.134
  357    HB2  ARG  44           1HB      ARG  44   7.772  -0.343  -0.811
  358    HB3  ARG  44           2HB      ARG  44   8.136   1.338  -1.170
  359    HG2  ARG  44           1HG      ARG  44   8.657   1.830   1.038
  360    HG3  ARG  44           2HG      ARG  44   7.806   0.410   1.653
  361    HD2  ARG  44           1HD      ARG  44   9.486  -1.050   0.717
  362    HD3  ARG  44           2HD      ARG  44  10.303   0.320  -0.034
  363    HE   ARG  44           HE       ARG  44  10.339  -0.424   2.790
  364   HH11  ARG  44          2HH1      ARG  44  11.245   1.883   0.303
  365   HH12  ARG  44          1HH1      ARG  44  12.434   2.669   1.302
  366   HH21  ARG  44          2HH2      ARG  44  11.909   0.625   4.092
  367   HH22  ARG  44          1HH2      ARG  44  12.802   1.967   3.433
  368    H    VAL  45           H        VAL  45   5.561   3.076  -1.679
  369    HA   VAL  45           HA       VAL  45   4.136   1.666  -3.780
  370    HB   VAL  45           HB       VAL  45   3.838   3.934  -4.802
  371   HG11  VAL  45          1HG1      VAL  45   2.879   3.222  -2.076
  372   HG12  VAL  45          2HG1      VAL  45   2.453   4.795  -2.748
  373   HG13  VAL  45          3HG1      VAL  45   1.990   3.320  -3.594
  374   HG21  VAL  45          3HG2      VAL  45   4.284   5.850  -3.151
  375   HG22  VAL  45          1HG2      VAL  45   5.420   4.738  -2.386
  376   HG23  VAL  45          2HG2      VAL  45   5.646   5.209  -4.071
  377    H    CYS  46           H        CYS  46   4.774   1.612  -5.935
  378    HA   CYS  46           HA       CYS  46   7.576   1.389  -6.358
  379    HB2  CYS  46           1HB      CYS  46   7.068   0.611  -8.486
  380    HB3  CYS  46           2HB      CYS  46   5.629   0.168  -7.579
  381    H    GLU  47           H        GLU  47   8.870   2.641  -7.708
  382    HA   GLU  47           HA       GLU  47   8.941   5.320  -7.294
  383    HB2  GLU  47           1HB      GLU  47  10.779   3.999  -8.254
  384    HB3  GLU  47           2HB      GLU  47   9.906   3.885  -9.774
  385    HG2  GLU  47           1HG      GLU  47  11.477   5.555 -10.129
  386    HG3  GLU  47           2HG      GLU  47   9.977   6.426  -9.818
  387    H    ASN  48           H        ASN  48   7.361   3.706 -10.044
  388    HA   ASN  48           HA       ASN  48   6.702   5.986 -11.515
  389    HB2  ASN  48           1HB      ASN  48   5.346   3.296 -11.356
  390    HB3  ASN  48           2HB      ASN  48   4.877   4.543 -12.506
  391   HD21  ASN  48          1HD2      ASN  48   5.673   4.174 -14.442
  392   HD22  ASN  48          2HD2      ASN  48   7.233   3.510 -14.797
  393    H    CYS  49           H        CYS  49   4.925   4.400  -8.909
  394    HA   CYS  49           HA       CYS  49   2.711   6.272  -9.154
  395    HB2  CYS  49           1HB      CYS  49   3.226   4.085  -7.156
  396    HB3  CYS  49           2HB      CYS  49   1.761   5.052  -7.223
  397    H    SER  50           H        SER  50   4.834   7.745  -8.734
  398    HA   SER  50           HA       SER  50   4.299   8.959  -6.193
  399    HB2  SER  50           1HB      SER  50   5.907   7.244  -5.512
  400    HB3  SER  50           2HB      SER  50   7.056   7.829  -6.713
  401    HG   SER  50           HG       SER  50   6.099   9.747  -4.972
  402    H    PHE  51           H        PHE  51   6.557   8.904  -8.973
  403    HA   PHE  51           HA       PHE  51   7.157  11.667  -8.634
  404    HB2  PHE  51           1HB      PHE  51   8.311  11.491 -10.840
  405    HB3  PHE  51           2HB      PHE  51   8.854  10.339  -9.636
  406    HD1  PHE  51           HD2      PHE  51   6.163  10.382 -12.252
  407    HD2  PHE  51           HD1      PHE  51   9.478   8.354 -10.529
  408    HE1  PHE  51           HE2      PHE  51   5.904   8.573 -13.895
  409    HE2  PHE  51           HE1      PHE  51   9.239   6.550 -12.181
  410    HZ   PHE  51           HZ       PHE  51   7.446   6.655 -13.864
  411    H    GLY  52           H        GLY  52   6.365  13.456  -9.568
  412    HA2  GLY  52           2HA      GLY  52   5.039  14.804 -10.870
  413    HA3  GLY  52           1HA      GLY  52   4.662  13.407 -11.859
  414    H    LYS  53           H        LYS  53   3.449  11.762  -9.923
  415    HA   LYS  53           HA       LYS  53   1.266  13.176  -8.687
  416    HB2  LYS  53           1HB      LYS  53  -0.469  12.658 -10.185
  417    HB3  LYS  53           2HB      LYS  53   0.831  13.220 -11.222
  418    HG2  LYS  53           1HG      LYS  53   0.067  10.344 -10.739
  419    HG3  LYS  53           2HG      LYS  53  -0.309  11.291 -12.174
  420    HD2  LYS  53           1HD      LYS  53   2.468  10.583 -11.221
  421    HD3  LYS  53           2HD      LYS  53   1.592   9.770 -12.519
  422    HE2  LYS  53           1HE      LYS  53   2.370  12.684 -12.494
  423    HE3  LYS  53           2HE      LYS  53   3.231  11.409 -13.354
  424    HZ1  LYS  53           3HZ      LYS  53   0.663  12.666 -13.967
  425    HZ2  LYS  53           1HZ      LYS  53   0.845  11.024 -14.361
  426    HZ3  LYS  53           2HZ      LYS  53   1.912  12.173 -15.009
  427    H    GLN  54           H        GLN  54  -0.511  11.555  -8.072
  428    HA   GLN  54           HA       GLN  54  -1.174   9.695  -6.947
  429    HB2  GLN  54           1HB      GLN  54   0.843   8.320  -8.729
  430    HB3  GLN  54           2HB      GLN  54  -0.418   7.517  -7.801
  431    HG2  GLN  54           1HG      GLN  54  -2.122   8.471  -9.109
  432    HG3  GLN  54           2HG      GLN  54  -1.003   9.610  -9.855
  433   HE21  GLN  54          1HE2      GLN  54   0.761   6.939  -9.740
  434   HE22  GLN  54          2HE2      GLN  54   0.350   6.215 -11.251
  435    H    ALA  55           H        ALA  55   0.590  11.203  -5.579
  436    HA   ALA  55           HA       ALA  55   2.356   9.235  -4.284
  437    HB1  ALA  55           3HB      ALA  55   3.968  10.838  -4.021
  438    HB2  ALA  55           1HB      ALA  55   3.238  11.353  -5.542
  439    HB3  ALA  55           2HB      ALA  55   2.804  12.164  -4.036
  440    H    LYS  56           H        LYS  56   0.221  12.003  -3.737
  441    HA   LYS  56           HA       LYS  56   0.367  11.696  -0.878
  442    HB2  LYS  56           1HB      LYS  56  -1.286  13.519  -2.621
  443    HB3  LYS  56           2HB      LYS  56  -1.313  13.555  -0.865
  444    HG2  LYS  56           1HG      LYS  56   1.066  14.105  -0.834
  445    HG3  LYS  56           2HG      LYS  56   1.097  14.070  -2.599
  446    HD2  LYS  56           1HD      LYS  56  -0.697  15.887  -1.000
  447    HD3  LYS  56           2HD      LYS  56   0.908  16.356  -1.566
  448    HE2  LYS  56           1HE      LYS  56  -1.249  15.348  -3.404
  449    HE3  LYS  56           2HE      LYS  56  -1.043  17.056  -3.019
  450    HZ1  LYS  56           3HZ      LYS  56   1.411  15.834  -3.822
  451    HZ2  LYS  56           1HZ      LYS  56   0.644  17.217  -4.429
  452    HZ3  LYS  56           2HZ      LYS  56   0.219  15.687  -5.018
  453    H    ASN  57           H        ASN  57  -1.951  10.914  -3.413
  454    HA   ASN  57           HA       ASN  57  -4.146  10.517  -1.723
  455    HB2  ASN  57           1HB      ASN  57  -5.314   9.720  -3.568
  456    HB3  ASN  57           2HB      ASN  57  -4.082  10.732  -4.304
  457   HD21  ASN  57          1HD2      ASN  57  -2.712   9.863  -5.725
  458   HD22  ASN  57          2HD2      ASN  57  -2.689   8.191  -6.169
  459    H    CYS  58           H        CYS  58  -5.081   8.790  -0.811
  460    HA   CYS  58           HA       CYS  58  -3.434   6.786   0.293
  461    HB2  CYS  58           1HB      CYS  58  -5.273   7.466   1.562
  462    HB3  CYS  58           2HB      CYS  58  -6.373   7.351   0.199
  463    H    ILE  59           H        ILE  59  -2.840   4.905  -0.478
  464    HA   ILE  59           HA       ILE  59  -3.267   4.214  -3.128
  465    HB   ILE  59           HB       ILE  59  -2.081   2.115  -2.613
  466   HG12  ILE  59          1HG1      ILE  59  -2.319   3.103   0.240
  467   HG13  ILE  59          2HG1      ILE  59  -3.016   1.626  -0.419
  468   HG21  ILE  59          1HG2      ILE  59  -0.213   3.311  -2.749
  469   HG22  ILE  59          2HG2      ILE  59  -1.175   4.751  -2.411
  470   HG23  ILE  59          3HG2      ILE  59  -0.398   3.880  -1.089
  471   HD11  ILE  59          3HD1      ILE  59  -1.209   0.606   0.355
  472   HD12  ILE  59          1HD1      ILE  59  -0.331   1.368  -0.970
  473   HD13  ILE  59          2HD1      ILE  59  -0.363   2.134   0.628
  474    H    ILE  60           H        ILE  60  -4.968   3.051  -0.277
  475    HA   ILE  60           HA       ILE  60  -6.016   0.749  -1.528
  476    HB   ILE  60           HB       ILE  60  -6.940   2.149   0.976
  477   HG12  ILE  60          1HG1      ILE  60  -5.144  -0.238   0.483
  478   HG13  ILE  60          2HG1      ILE  60  -4.650   1.333   1.104
  479   HG21  ILE  60          1HG2      ILE  60  -8.689   0.779   1.014
  480   HG22  ILE  60          2HG2      ILE  60  -8.189   0.064  -0.516
  481   HG23  ILE  60          3HG2      ILE  60  -7.593  -0.602   1.003
  482   HD11  ILE  60          3HD1      ILE  60  -4.753  -0.216   2.913
  483   HD12  ILE  60          1HD1      ILE  60  -6.079   0.932   3.087
  484   HD13  ILE  60          2HD1      ILE  60  -6.393  -0.694   2.476
  485    H    CYS  61           H        CYS  61  -7.444   3.992  -1.063
  486    HA   CYS  61           HA       CYS  61  -9.749   3.061  -2.608
  487    HB2  CYS  61           1HB      CYS  61 -10.690   5.383  -2.187
  488    HB3  CYS  61           2HB      CYS  61 -10.557   4.320  -0.788
  489    H    ASN  62           H        ASN  62  -6.869   4.921  -2.834
  490    HA   ASN  62           HA       ASN  62  -5.753   5.859  -4.531
  491    HB2  ASN  62           1HB      ASN  62  -6.284   3.622  -5.539
  492    HB3  ASN  62           2HB      ASN  62  -7.691   4.357  -6.300
  493   HD21  ASN  62          1HD2      ASN  62  -7.454   5.217  -8.197
  494   HD22  ASN  62          2HD2      ASN  62  -5.942   5.593  -8.953
  495    H    LEU  63           H        LEU  63  -7.607   7.420  -3.344
  496    HA   LEU  63           HA       LEU  63  -8.345   9.267  -5.422
  497    HB2  LEU  63           1HB      LEU  63 -10.067   7.334  -5.280
  498    HB3  LEU  63           2HB      LEU  63 -10.576   8.089  -3.789
  499    HG   LEU  63           HG       LEU  63 -11.954   8.665  -5.791
  500   HD11  LEU  63          1HD1      LEU  63 -11.466  10.132  -3.671
  501   HD12  LEU  63          2HD1      LEU  63 -10.695  11.189  -4.856
  502   HD13  LEU  63          3HD1      LEU  63 -12.401  10.770  -5.027
  503   HD21  LEU  63          3HD2      LEU  63 -11.073   9.541  -7.650
  504   HD22  LEU  63          1HD2      LEU  63 -10.003  10.616  -6.751
  505   HD23  LEU  63          2HD2      LEU  63  -9.537   8.935  -7.027
  506    H    ASN  64           H        ASN  64  -9.287   8.381  -2.090
  507    HA   ASN  64           HA       ASN  64  -9.339  11.103  -1.206
  508    HB2  ASN  64           1HB      ASN  64  -9.345   8.501   0.340
  509    HB3  ASN  64           2HB      ASN  64  -9.542  10.087   1.076
  510   HD21  ASN  64          1HD2      ASN  64 -11.184   7.467   0.028
  511   HD22  ASN  64          2HD2      ASN  64 -12.713   8.196  -0.323
  512    H    VAL  65           H        VAL  65  -7.850  12.174   0.127
  513    HA   VAL  65           HA       VAL  65  -5.154  11.645  -0.497
  514    HB   VAL  65           HB       VAL  65  -5.971  13.917  -0.109
  515   HG11  VAL  65          1HG1      VAL  65  -5.828  13.891   2.761
  516   HG12  VAL  65          2HG1      VAL  65  -7.094  14.507   1.697
  517   HG13  VAL  65          3HG1      VAL  65  -7.081  12.806   2.161
  518   HG21  VAL  65          3HG2      VAL  65  -3.527  13.074   0.339
  519   HG22  VAL  65          1HG2      VAL  65  -3.998  14.725   0.741
  520   HG23  VAL  65          2HG2      VAL  65  -3.914  13.500   2.007
  521    H    GLY  66           H        GLY  66  -3.517  10.699   0.607
  522    HA2  GLY  66           2HA      GLY  66  -4.326   8.990   2.819
  523    HA3  GLY  66           1HA      GLY  66  -2.817   8.903   1.933
  524    H    VAL  67           H        VAL  67  -3.524   9.016   4.848
  525    HA   VAL  67           HA       VAL  67  -1.842  11.325   5.554
  526    HB   VAL  67           HB       VAL  67  -2.908  11.194   7.824
  527   HG11  VAL  67          1HG1      VAL  67  -5.271  11.851   6.442
  528   HG12  VAL  67          2HG1      VAL  67  -4.007  12.944   7.005
  529   HG13  VAL  67          3HG1      VAL  67  -3.930  12.269   5.377
  530   HG21  VAL  67          3HG2      VAL  67  -3.984   8.820   6.875
  531   HG22  VAL  67          1HG2      VAL  67  -4.430   9.653   8.363
  532   HG23  VAL  67          2HG2      VAL  67  -5.345   9.941   6.885
  533    H    ASN  68           H        ASN  68  -2.520   7.918   6.200
  534    HA   ASN  68           HA       ASN  68  -0.011   7.763   7.747
  535    HB2  ASN  68           1HB      ASN  68  -2.400   5.909   7.782
  536    HB3  ASN  68           2HB      ASN  68  -0.935   5.705   8.736
  537   HD21  ASN  68          1HD2      ASN  68  -3.956   6.419   9.193
  538   HD22  ASN  68          2HD2      ASN  68  -3.863   7.689  10.367
  539    H    ASP  69           H        ASP  69   0.489   5.113   7.590
  540    HA   ASP  69           HA       ASP  69   0.983   4.728   4.695
  541    HB2  ASP  69           1HB      ASP  69   2.613   3.688   7.032
  542    HB3  ASP  69           2HB      ASP  69   2.986   3.461   5.329
  543    H    ALA  70           H        ALA  70   0.720   2.755   3.794
  544    HA   ALA  70           HA       ALA  70  -1.123   0.952   5.089
  545    HB1  ALA  70           3HB      ALA  70  -0.380   1.479   2.443
  546    HB2  ALA  70           1HB      ALA  70   0.097  -0.189   2.759
  547    HB3  ALA  70           2HB      ALA  70  -1.574   0.313   3.015
  548    H    PHE  71           H        PHE  71  -0.733  -1.244   5.566
  549    HA   PHE  71           HA       PHE  71   2.090  -2.032   5.720
  550    HB2  PHE  71           1HB      PHE  71   0.055  -2.213   7.940
  551    HB3  PHE  71           2HB      PHE  71   1.494  -3.220   7.905
  552    HD1  PHE  71           HD1      PHE  71   0.453   0.355   7.786
  553    HD2  PHE  71           HD2      PHE  71   3.430  -2.477   8.897
  554    HE1  PHE  71           HE1      PHE  71   1.737   2.141   8.883
  555    HE2  PHE  71           HE2      PHE  71   4.716  -0.692   9.999
  556    HZ   PHE  71           HZ       PHE  71   3.873   1.620   9.987
  557    H    TYR  72           H        TYR  72   2.464  -4.024   4.988
  558    HA   TYR  72           HA       TYR  72   0.314  -5.670   3.981
  559    HB2  TYR  72           1HB      TYR  72   3.243  -6.344   4.376
  560    HB3  TYR  72           2HB      TYR  72   2.080  -7.298   3.465
  561    HD1  TYR  72           HD2      TYR  72   1.044  -6.219   1.386
  562    HD2  TYR  72           HD1      TYR  72   4.509  -4.689   3.324
  563    HE1  TYR  72           HE2      TYR  72   1.670  -5.041  -0.678
  564    HE2  TYR  72           HE1      TYR  72   5.142  -3.501   1.265
  565    HH   TYR  72           HH       TYR  72   3.626  -4.115  -1.752
  566    H    CYS  73           H        CYS  73  -0.751  -7.187   5.145
  567    HA   CYS  73           HA       CYS  73  -0.244  -7.359   7.924
  568    HB2  CYS  73           1HB      CYS  73  -2.208  -8.613   8.099
  569    HB3  CYS  73           2HB      CYS  73  -2.501  -7.570   6.713
  570    H    TRP  74           H        TRP  74   0.074  -9.296   9.140
  571    HA   TRP  74           HA       TRP  74   2.454 -10.503   8.700
  572    HB2  TRP  74           1HB      TRP  74   1.258 -10.532  10.852
  573    HB3  TRP  74           2HB      TRP  74   0.113 -11.700  10.199
  574    HD1  TRP  74           HD1      TRP  74   4.004 -11.621  10.397
  575    HE1  TRP  74           HE1      TRP  74   4.791 -13.924  11.227
  576    HE3  TRP  74           HE3      TRP  74  -0.553 -13.870  10.928
  577    HZ2  TRP  74           HZ2      TRP  74   3.622 -16.379  12.006
  578    HZ3  TRP  74           HZ3      TRP  74  -0.636 -16.199  11.717
  579    HH2  TRP  74           HH2      TRP  74   1.412 -17.427  12.246
  580    H    GLU  75           H        GLU  75  -0.699 -11.991   7.920
  581    HA   GLU  75           HA       GLU  75   0.471 -14.386   7.025
  582    HB2  GLU  75           1HB      GLU  75  -1.834 -14.753   5.940
  583    HB3  GLU  75           2HB      GLU  75  -1.712 -14.684   7.690
  584    HG2  GLU  75           1HG      GLU  75  -2.525 -12.407   7.683
  585    HG3  GLU  75           2HG      GLU  75  -2.572 -12.411   5.919
  586    H    CYS  76           H        CYS  76  -0.446 -11.459   5.278
  587    HA   CYS  76           HA       CYS  76  -0.033 -12.527   2.675
  588    HB2  CYS  76           1HB      CYS  76   0.011  -9.722   3.755
  589    HB3  CYS  76           2HB      CYS  76   0.475 -10.059   2.091
  590    H    CYS  77           H        CYS  77   2.099 -10.950   5.017
  591    HA   CYS  77           HA       CYS  77   4.401 -10.983   3.334
  592    HB2  CYS  77           1HB      CYS  77   4.085 -10.754   6.327
  593    HB3  CYS  77           2HB      CYS  77   5.644 -10.665   5.514
  594    HG   CYS  77           HG       CYS  77   5.058  -8.377   4.069
  595    H    ARG  78           H        ARG  78   3.122 -13.161   5.785
  596    HA   ARG  78           HA       ARG  78   5.251 -14.999   5.837
  597    HB2  ARG  78           1HB      ARG  78   3.555 -14.935   7.569
  598    HB3  ARG  78           2HB      ARG  78   2.303 -15.346   6.408
  599    HG2  ARG  78           1HG      ARG  78   3.199 -17.550   6.133
  600    HG3  ARG  78           2HG      ARG  78   4.595 -17.153   7.140
  601    HD2  ARG  78           1HD      ARG  78   3.182 -16.878   9.072
  602    HD3  ARG  78           2HD      ARG  78   1.733 -17.089   8.090
  603    HE   ARG  78           HE       ARG  78   3.374 -19.138   9.198
  604   HH11  ARG  78          2HH1      ARG  78   1.301 -18.369   6.486
  605   HH12  ARG  78          1HH1      ARG  78   0.963 -20.031   6.100
  606   HH21  ARG  78          2HH2      ARG  78   2.897 -21.330   8.717
  607   HH22  ARG  78          1HH2      ARG  78   1.837 -21.701   7.391
  608    H    LEU  79           H        LEU  79   2.312 -14.850   3.861
  609    HA   LEU  79           HA       LEU  79   2.754 -17.293   2.495
  610    HB2  LEU  79           1HB      LEU  79   0.762 -15.327   2.759
  611    HB3  LEU  79           2HB      LEU  79   1.158 -15.394   1.068
  612    HG   LEU  79           HG       LEU  79  -0.730 -16.849   1.602
  613   HD11  LEU  79          1HD1      LEU  79   1.620 -18.624   1.014
  614   HD12  LEU  79          2HD1      LEU  79  -0.040 -18.767   0.433
  615   HD13  LEU  79          3HD1      LEU  79   0.993 -17.465  -0.158
  616   HD21  LEU  79          3HD2      LEU  79   0.310 -19.012   2.937
  617   HD22  LEU  79          1HD2      LEU  79   1.030 -17.642   3.782
  618   HD23  LEU  79          2HD2      LEU  79  -0.724 -17.765   3.635
  619    H    GLY  80           H        GLY  80   3.713 -13.976   2.013
  620    HA2  GLY  80           2HA      GLY  80   5.530 -13.296   0.667
  621    HA3  GLY  80           1HA      GLY  80   5.394 -14.800  -0.234
  622    H    LYS  81           H        LYS  81   2.895 -12.427   0.545
  623    HA   LYS  81           HA       LYS  81   2.277 -12.198  -2.307
  624    HB2  LYS  81           1HB      LYS  81   0.751 -11.270   0.134
  625    HB3  LYS  81           2HB      LYS  81   0.196 -11.111  -1.526
  626    HG2  LYS  81           1HG      LYS  81  -0.015 -13.468  -1.765
  627    HG3  LYS  81           2HG      LYS  81   0.809 -13.755  -0.230
  628    HD2  LYS  81           1HD      LYS  81  -1.022 -12.696   0.968
  629    HD3  LYS  81           2HD      LYS  81  -1.834 -12.339  -0.556
  630    HE2  LYS  81           1HE      LYS  81  -1.183 -15.110   0.441
  631    HE3  LYS  81           2HE      LYS  81  -2.751 -14.324   0.617
  632    HZ1  LYS  81           3HZ      LYS  81  -1.543 -15.543  -1.717
  633    HZ2  LYS  81           1HZ      LYS  81  -2.327 -14.069  -2.009
  634    HZ3  LYS  81           2HZ      LYS  81  -3.181 -15.355  -1.310
  635    H    ASP  82           H        ASP  82   3.384 -10.402   0.459
  636    HA   ASP  82           HA       ASP  82   3.073  -7.797  -0.556
  637    HB2  ASP  82           1HB      ASP  82   4.633  -7.104   1.196
  638    HB3  ASP  82           2HB      ASP  82   3.429  -8.218   1.825
  639    H    LYS  83           H        LYS  83   5.629 -10.159  -0.862
  640    HA   LYS  83           HA       LYS  83   7.544  -8.360  -1.926
  641    HB2  LYS  83           1HB      LYS  83   8.746 -10.488  -2.612
  642    HB3  LYS  83           2HB      LYS  83   8.417 -10.289  -0.899
  643    HG2  LYS  83           1HG      LYS  83   7.925 -12.519  -1.321
  644    HG3  LYS  83           2HG      LYS  83   6.348 -11.734  -1.315
  645    HD2  LYS  83           1HD      LYS  83   6.438 -13.275  -3.155
  646    HD3  LYS  83           2HD      LYS  83   6.445 -11.631  -3.793
  647    HE2  LYS  83           1HE      LYS  83   8.848 -11.745  -4.126
  648    HE3  LYS  83           2HE      LYS  83   8.891 -13.359  -3.416
  649    HZ1  LYS  83           3HZ      LYS  83   8.841 -13.087  -5.973
  650    HZ2  LYS  83           1HZ      LYS  83   7.178 -12.830  -5.757
  651    HZ3  LYS  83           2HZ      LYS  83   7.886 -14.288  -5.253
  652    H    ASP  84           H        ASP  84   4.749  -9.033  -3.301
  653    HA   ASP  84           HA       ASP  84   5.595  -9.719  -5.964
  654    HB2  ASP  84           1HB      ASP  84   3.243 -10.042  -4.803
  655    HB3  ASP  84           2HB      ASP  84   2.957  -8.419  -5.425
  656    H    GLY  85           H        GLY  85   4.210  -6.752  -4.493
  657    HA2  GLY  85           2HA      GLY  85   6.159  -5.041  -5.246
  658    HA3  GLY  85           1HA      GLY  85   5.168  -5.135  -6.689
  659    H    CYS  86           H        CYS  86   4.609  -3.074  -6.663
  660    HA   CYS  86           HA       CYS  86   3.683  -1.587  -4.462
  661    HB2  CYS  86           1HB      CYS  86   4.736  -0.425  -6.180
  662    HB3  CYS  86           2HB      CYS  86   3.842  -1.263  -7.433
  663    HA   PRO  87           HA       PRO  87  -0.494  -3.113  -4.693
  664    HB2  PRO  87           1HB      PRO  87  -1.133  -2.740  -2.145
  665    HB3  PRO  87           2HB      PRO  87   0.035  -3.972  -2.635
  666    HG2  PRO  87           1HG      PRO  87   0.494  -1.314  -1.389
  667    HG3  PRO  87           2HG      PRO  87   1.393  -2.827  -1.184
  668    HD2  PRO  87           1HD      PRO  87   2.096  -0.666  -2.855
  669    HD3  PRO  87           2HD      PRO  87   2.829  -2.281  -2.847
  670    H    ARG  88           H        ARG  88  -0.137  -0.430  -5.704
  671    HA   ARG  88           HA       ARG  88  -2.185   1.180  -4.459
  672    HB2  ARG  88           1HB      ARG  88  -0.524   1.417  -6.924
  673    HB3  ARG  88           2HB      ARG  88  -2.039   2.310  -6.846
  674    HG2  ARG  88           1HG      ARG  88  -1.202   3.186  -4.611
  675    HG3  ARG  88           2HG      ARG  88   0.374   2.558  -5.100
  676    HD2  ARG  88           1HD      ARG  88   0.465   3.988  -6.974
  677    HD3  ARG  88           2HD      ARG  88  -1.243   4.405  -6.833
  678    HE   ARG  88           HE       ARG  88   0.954   5.554  -5.365
  679   HH11  ARG  88          2HH1      ARG  88  -2.508   5.091  -5.541
  680   HH12  ARG  88          1HH1      ARG  88  -2.869   6.293  -4.341
  681   HH21  ARG  88          2HH2      ARG  88   0.500   7.128  -3.751
  682   HH22  ARG  88          1HH2      ARG  88  -1.159   7.435  -3.303
  683    H    ILE  89           H        ILE  89  -4.299   1.031  -4.791
  684    HA   ILE  89           HA       ILE  89  -5.355  -1.138  -6.254
  685    HB   ILE  89           HB       ILE  89  -6.624   1.216  -4.890
  686   HG12  ILE  89          1HG1      ILE  89  -5.699  -0.545  -3.470
  687   HG13  ILE  89          2HG1      ILE  89  -7.455  -0.531  -3.365
  688   HG21  ILE  89          1HG2      ILE  89  -8.769  -0.290  -5.283
  689   HG22  ILE  89          2HG2      ILE  89  -8.279   0.964  -6.428
  690   HG23  ILE  89          3HG2      ILE  89  -7.885  -0.727  -6.747
  691   HD11  ILE  89          3HD1      ILE  89  -7.017  -2.774  -3.513
  692   HD12  ILE  89          1HD1      ILE  89  -7.288  -2.370  -5.206
  693   HD13  ILE  89          2HD1      ILE  89  -5.645  -2.548  -4.597
  694    H    LEU  90           H        LEU  90  -5.648  -1.324  -8.303
  695    HA   LEU  90           HA       LEU  90  -6.970   0.577  -9.894
  696    HB2  LEU  90           1HB      LEU  90  -5.052   0.920 -11.544
  697    HB3  LEU  90           2HB      LEU  90  -5.043   1.864 -10.072
  698    HG   LEU  90           HG       LEU  90  -3.462  -0.070  -9.213
  699   HD11  LEU  90          1HD1      LEU  90  -3.594  -0.502 -12.115
  700   HD12  LEU  90          2HD1      LEU  90  -1.972  -0.443 -11.419
  701   HD13  LEU  90          3HD1      LEU  90  -3.151  -1.610 -10.814
  702   HD21  LEU  90          3HD2      LEU  90  -2.329   1.852  -9.126
  703   HD22  LEU  90          1HD2      LEU  90  -1.627   1.330 -10.657
  704   HD23  LEU  90          2HD2      LEU  90  -3.005   2.433 -10.648
  705    H    ASN  91           H        ASN  91  -4.798  -2.173  -9.831
  706    HA   ASN  91           HA       ASN  91  -4.780  -4.196 -10.848
  707    HB2  ASN  91           1HB      ASN  91  -7.161  -4.382 -10.250
  708    HB3  ASN  91           2HB      ASN  91  -7.606  -3.554 -11.731
  709   HD21  ASN  91          1HD2      ASN  91  -7.011  -6.486 -10.281
  710   HD22  ASN  91          2HD2      ASN  91  -6.900  -7.483 -11.681
  711    H    LEU  92           H        LEU  92  -6.704  -2.202 -13.028
  712    HA   LEU  92           HA       LEU  92  -4.621  -2.542 -15.073
  713    HB2  LEU  92           1HB      LEU  92  -7.149  -3.537 -15.224
  714    HB3  LEU  92           2HB      LEU  92  -7.385  -1.951 -15.935
  715    HG   LEU  92           HG       LEU  92  -6.970  -3.669 -17.639
  716   HD11  LEU  92          1HD1      LEU  92  -6.290  -1.754 -18.610
  717   HD12  LEU  92          2HD1      LEU  92  -5.226  -1.324 -17.270
  718   HD13  LEU  92          3HD1      LEU  92  -4.699  -2.500 -18.475
  719   HD21  LEU  92          3HD2      LEU  92  -5.167  -4.676 -15.832
  720   HD22  LEU  92          1HD2      LEU  92  -5.337  -5.181 -17.514
  721   HD23  LEU  92          2HD2      LEU  92  -4.131  -3.971 -17.073
  722    H    GLY  93           H        GLY  93  -7.471  -0.569 -14.277
  723    HA2  GLY  93           2HA      GLY  93  -7.722   1.674 -13.929
  724    HA3  GLY  93           1HA      GLY  93  -5.979   1.757 -13.746
  725    H    SER  94           H        SER  94  -4.857   1.413 -16.012
  726    HA   SER  94           HA       SER  94  -6.107   2.403 -18.326
  727    HB2  SER  94           1HB      SER  94  -6.140   4.488 -16.902
  728    HB3  SER  94           2HB      SER  94  -4.380   4.441 -16.883
  729    HG   SER  94           HG       SER  94  -5.938   5.539 -18.698
  730    H    ASN  95           H        ASN  95  -3.512   3.975 -18.879
  731    HA   ASN  95           HA       ASN  95  -1.509   3.592 -19.869
  732    HB2  ASN  95           1HB      ASN  95  -1.394   1.485 -17.710
  733    HB3  ASN  95           2HB      ASN  95  -0.043   1.823 -18.784
  734   HD21  ASN  95          1HD2      ASN  95   1.392   3.165 -18.037
  735   HD22  ASN  95          2HD2      ASN  95   1.123   4.399 -16.849
  736    H    ARG  96           H        ARG  96  -3.762   2.399 -21.088
  737    HA   ARG  96           HA       ARG  96  -2.395   0.294 -22.571
  738    HB2  ARG  96           1HB      ARG  96  -4.427  -1.113 -22.622
  739    HB3  ARG  96           2HB      ARG  96  -3.726  -0.967 -21.019
  740    HG2  ARG  96           1HG      ARG  96  -5.947  -0.728 -20.546
  741    HG3  ARG  96           2HG      ARG  96  -5.482   0.961 -20.762
  742    HD2  ARG  96           1HD      ARG  96  -7.514   0.607 -21.963
  743    HD3  ARG  96           2HD      ARG  96  -6.204   0.778 -23.134
  744    HE   ARG  96           HE       ARG  96  -6.664  -1.314 -23.877
  745   HH11  ARG  96          2HH1      ARG  96  -8.072  -0.991 -20.667
  746   HH12  ARG  96          1HH1      ARG  96  -8.634  -2.633 -20.624
  747   HH21  ARG  96          2HH2      ARG  96  -7.435  -3.460 -23.817
  748   HH22  ARG  96          1HH2      ARG  96  -8.282  -4.032 -22.406
  749    H    LEU  97           H        LEU  97  -4.752   2.821 -22.405
  750    HA   LEU  97           HA       LEU  97  -5.535   2.683 -25.171
  751    HB2  LEU  97           1HB      LEU  97  -5.706   4.926 -23.152
  752    HB3  LEU  97           2HB      LEU  97  -6.374   4.998 -24.771
  753    HG   LEU  97           HG       LEU  97  -7.227   3.045 -22.635
  754   HD11  LEU  97          1HD1      LEU  97  -9.335   4.402 -22.687
  755   HD12  LEU  97          2HD1      LEU  97  -7.941   5.217 -21.980
  756   HD13  LEU  97          3HD1      LEU  97  -8.453   5.611 -23.620
  757   HD21  LEU  97          3HD2      LEU  97  -8.076   3.510 -25.471
  758   HD22  LEU  97          1HD2      LEU  97  -7.674   1.994 -24.664
  759   HD23  LEU  97          2HD2      LEU  97  -9.185   2.820 -24.287
  760    H    ASP  98           H        ASP  98  -4.820   4.048 -26.842
  761    HA   ASP  98           HA       ASP  98  -3.265   5.108 -28.123
  762    HB2  ASP  98           1HB      ASP  98  -3.593   6.811 -26.141
  763    HB3  ASP  98           2HB      ASP  98  -1.965   6.309 -25.699
  764    H    ARG  99           H        ARG  99  -2.801   2.558 -27.541
  765    HA   ARG  99           HA       ARG  99  -1.246   0.923 -27.707
  766    HB2  ARG  99           1HB      ARG  99   0.074   2.331 -29.166
  767    HB3  ARG  99           2HB      ARG  99   0.734   3.203 -27.789
  768    HG2  ARG  99           1HG      ARG  99   1.822   1.119 -27.036
  769    HG3  ARG  99           2HG      ARG  99   1.222   0.316 -28.489
  770    HD2  ARG  99           1HD      ARG  99   3.536   1.044 -28.769
  771    HD3  ARG  99           2HD      ARG  99   2.457   1.882 -29.883
  772    HE   ARG  99           HE       ARG  99   2.988   3.856 -28.869
  773   HH11  ARG  99          2HH1      ARG  99   4.013   1.233 -26.766
  774   HH12  ARG  99          1HH1      ARG  99   4.821   2.294 -25.646
  775   HH21  ARG  99          2HH2      ARG  99   3.990   5.234 -27.374
  776   HH22  ARG  99          1HH2      ARG  99   4.782   4.576 -25.974
  777    H    HIS 100           H        HIS 100   0.403   3.361 -25.712
  778    HA   HIS 100           HA       HIS 100  -0.121   2.103 -23.237
  779    HB2  HIS 100           1HB      HIS 100   2.416   1.353 -24.622
  780    HB3  HIS 100           2HB      HIS 100   2.513   1.716 -22.907
  781    HD1  HIS 100           HD1      HIS 100   0.211   0.312 -21.675
  782    HD2  HIS 100           HD2      HIS 100   2.312  -1.323 -24.873
  783    HE1  HIS 100           HE1      HIS 100  -0.190  -2.164 -21.556
  784    HE2  HIS 100           HE2      HIS 100   1.081  -3.141 -23.500
  785    H    PHE 101           H        PHE 101   0.498   3.424 -21.552
  786    HA   PHE 101           HA       PHE 101   1.362   6.089 -22.229
  787    HB2  PHE 101           1HB      PHE 101  -0.366   5.646 -20.486
  788    HB3  PHE 101           2HB      PHE 101   0.865   4.862 -19.506
  789    HD1  PHE 101           HD1      PHE 101   1.737   7.807 -21.459
  790    HD2  PHE 101           HD2      PHE 101   0.424   6.396 -17.667
  791    HE1  PHE 101           HE1      PHE 101   2.278   9.989 -20.464
  792    HE2  PHE 101           HE2      PHE 101   0.976   8.571 -16.662
  793    HZ   PHE 101           HZ       PHE 101   1.902  10.371 -18.061
  794    H    GLU 102           H        GLU 102   3.395   5.252 -23.138
  795    HA   GLU 102           HA       GLU 102   5.558   5.422 -21.243
  796    HB2  GLU 102           1HB      GLU 102   4.934   3.053 -21.041
  797    HB3  GLU 102           2HB      GLU 102   5.042   2.862 -22.783
  798    HG2  GLU 102           1HG      GLU 102   6.991   1.921 -21.776
  799    HG3  GLU 102           2HG      GLU 102   7.452   3.376 -22.656
  800    H    LYS 103           H        LYS 103   7.497   5.901 -22.209
  801    HA   LYS 103           HA       LYS 103   8.991   6.604 -23.765
  802    HB2  LYS 103           1HB      LYS 103   7.142   5.325 -25.785
  803    HB3  LYS 103           2HB      LYS 103   8.733   5.975 -26.148
  804    HG2  LYS 103           1HG      LYS 103   8.252   3.739 -24.193
  805    HG3  LYS 103           2HG      LYS 103   8.627   3.491 -25.899
  806    HD2  LYS 103           1HD      LYS 103  10.745   4.707 -25.592
  807    HD3  LYS 103           2HD      LYS 103  10.366   4.911 -23.880
  808    HE2  LYS 103           1HE      LYS 103  11.889   3.057 -24.160
  809    HE3  LYS 103           2HE      LYS 103  10.321   2.465 -23.619
  810    HZ1  LYS 103           3HZ      LYS 103   9.817   1.878 -25.932
  811    HZ2  LYS 103           1HZ      LYS 103  11.187   1.063 -25.351
  812    HZ3  LYS 103           2HZ      LYS 103  11.368   2.385 -26.399
  813    H    LYS 104           H        LYS 104   5.725   7.028 -25.120
  814    HA   LYS 104           HA       LYS 104   6.392   9.732 -25.945
  815    HB2  LYS 104           1HB      LYS 104   5.040   8.400 -27.459
  816    HB3  LYS 104           2HB      LYS 104   3.845   8.120 -26.201
  817    HG2  LYS 104           1HG      LYS 104   3.090  10.341 -26.274
  818    HG3  LYS 104           2HG      LYS 104   4.507  10.879 -27.176
  819    HD2  LYS 104           1HD      LYS 104   2.471  10.717 -28.573
  820    HD3  LYS 104           2HD      LYS 104   3.776   9.674 -29.134
  821    HE2  LYS 104           1HE      LYS 104   1.696   8.468 -29.248
  822    HE3  LYS 104           2HE      LYS 104   2.700   7.770 -27.980
  823    HZ1  LYS 104           3HZ      LYS 104   0.713   9.831 -27.298
  824    HZ2  LYS 104           1HZ      LYS 104   1.333   8.577 -26.341
  825    HZ3  LYS 104           2HZ      LYS 104   0.201   8.234 -27.555
  826    H    LYS 105           H        LYS 105   6.063  11.454 -24.749
  827    HA   LYS 105           HA       LYS 105   5.445  12.832 -23.061
  828    HB2  LYS 105           1HB      LYS 105   3.011  11.044 -22.952
  829    HB3  LYS 105           2HB      LYS 105   3.190  12.527 -22.026
  830    HG2  LYS 105           1HG      LYS 105   3.370  13.805 -24.103
  831    HG3  LYS 105           2HG      LYS 105   3.186  12.316 -25.030
  832    HD2  LYS 105           1HD      LYS 105   1.069  13.485 -24.923
  833    HD3  LYS 105           2HD      LYS 105   0.970  11.980 -24.008
  834    HE2  LYS 105           1HE      LYS 105  -0.108  13.724 -22.756
  835    HE3  LYS 105           2HE      LYS 105   1.382  13.268 -21.933
  836    HZ1  LYS 105           3HZ      LYS 105   1.983  15.380 -21.993
  837    HZ2  LYS 105           1HZ      LYS 105   0.597  15.801 -22.875
  838    HZ3  LYS 105           2HZ      LYS 105   2.012  15.338 -23.687
  839    H    LYS 106           H        LYS 106   3.710  11.449 -20.799
  840    HA   LYS 106           HA       LYS 106   4.081  10.500 -18.770
  841    HB2  LYS 106           1HB      LYS 106   4.666   8.540 -20.212
  842    HB3  LYS 106           2HB      LYS 106   6.349   9.036 -20.132
  843    HG2  LYS 106           1HG      LYS 106   6.349   8.693 -17.721
  844    HG3  LYS 106           2HG      LYS 106   4.648   8.220 -17.784
  845    HD2  LYS 106           1HD      LYS 106   5.154   6.291 -19.089
  846    HD3  LYS 106           2HD      LYS 106   6.819   6.821 -19.333
  847    HE2  LYS 106           1HE      LYS 106   7.239   6.574 -16.932
  848    HE3  LYS 106           2HE      LYS 106   5.577   6.024 -16.705
  849    HZ1  LYS 106           3HZ      LYS 106   7.595   4.361 -17.067
  850    HZ2  LYS 106           1HZ      LYS 106   7.170   4.603 -18.694
  851    HZ3  LYS 106           2HZ      LYS 106   6.021   4.011 -17.590
  852    H    VAL 107           H        VAL 107   5.030  12.979 -18.996
  853    HA   VAL 107           HA       VAL 107   7.565  12.897 -17.506
  854    HB   VAL 107           HB       VAL 107   8.188  15.053 -18.493
  855   HG11  VAL 107          1HG1      VAL 107   8.006  13.944 -21.034
  856   HG12  VAL 107          2HG1      VAL 107   9.314  13.717 -19.873
  857   HG13  VAL 107          3HG1      VAL 107   7.986  12.560 -19.942
  858   HG21  VAL 107          3HG2      VAL 107   6.822  16.331 -19.720
  859   HG22  VAL 107          1HG2      VAL 107   6.302  14.969 -20.711
  860   HG23  VAL 107          2HG2      VAL 107   5.526  15.276 -19.158
  Start of MODEL    8
    1    H1   GLY  -1           1H       GLY  -1 -17.645 -13.581 -25.222
    2    H2   GLY  -1           2H       GLY  -1 -16.203 -12.700 -25.061
    3    H3   GLY  -1           3H       GLY  -1 -17.430 -12.135 -26.083
    4    HA2  GLY  -1           1HA      GLY  -1 -18.871 -12.102 -23.972
    5    HA3  GLY  -1           2HA      GLY  -1 -17.320 -12.136 -23.144
    6    H    GLY   0           H        GLY   0 -19.546 -10.059 -23.604
    7    HA2  GLY   0           2HA      GLY   0 -18.372  -7.979 -25.149
    8    HA3  GLY   0           1HA      GLY   0 -19.710  -7.802 -24.020
    9    H    SER   1           H        SER   1 -16.821  -6.611 -24.669
   10    HA   SER   1           HA       SER   1 -15.173  -5.530 -23.545
   11    HB2  SER   1           1HB      SER   1 -17.228  -4.290 -22.776
   12    HB3  SER   1           2HB      SER   1 -17.225  -5.296 -21.329
   13    HG   SER   1           HG       SER   1 -15.308  -3.384 -22.165
   14    H    SER   2           H        SER   2 -15.510  -5.720 -20.385
   15    HA   SER   2           HA       SER   2 -14.758  -6.942 -18.647
   16    HB2  SER   2           1HB      SER   2 -14.783  -9.337 -20.487
   17    HB3  SER   2           2HB      SER   2 -14.816  -9.347 -18.724
   18    HG   SER   2           HG       SER   2 -16.827  -8.327 -20.461
   19    H    ARG   3           H        ARG   3 -13.074  -7.876 -21.650
   20    HA   ARG   3           HA       ARG   3 -10.650  -8.576 -20.363
   21    HB2  ARG   3           1HB      ARG   3 -11.186  -7.797 -23.228
   22    HB3  ARG   3           2HB      ARG   3  -9.650  -8.421 -22.646
   23    HG2  ARG   3           1HG      ARG   3 -10.852 -10.476 -21.905
   24    HG3  ARG   3           2HG      ARG   3 -12.293  -9.852 -22.708
   25    HD2  ARG   3           1HD      ARG   3 -11.044  -9.768 -24.828
   26    HD3  ARG   3           2HD      ARG   3  -9.642 -10.457 -24.010
   27    HE   ARG   3           HE       ARG   3 -11.906 -12.116 -23.636
   28   HH11  ARG   3          2HH1      ARG   3  -9.480 -11.234 -26.000
   29   HH12  ARG   3          1HH1      ARG   3  -9.669 -12.692 -26.929
   30   HH21  ARG   3          2HH2      ARG   3 -12.179 -14.022 -24.862
   31   HH22  ARG   3          1HH2      ARG   3 -11.229 -14.266 -26.298
   32    H    HIS   4           H        HIS   4 -11.959  -5.550 -21.443
   33    HA   HIS   4           HA       HIS   4  -9.696  -3.988 -21.760
   34    HB2  HIS   4           1HB      HIS   4 -12.092  -3.262 -22.112
   35    HB3  HIS   4           2HB      HIS   4 -12.215  -3.087 -20.358
   36    HD1  HIS   4           HD1      HIS   4  -9.642  -1.863 -22.905
   37    HD2  HIS   4           HD2      HIS   4 -11.994  -0.475 -19.763
   38    HE1  HIS   4           HE1      HIS   4  -9.087   0.580 -22.662
   39    HE2  HIS   4           HE2      HIS   4 -10.663   1.431 -20.891
   40    H    GLN   5           H        GLN   5 -11.536  -4.616 -18.805
   41    HA   GLN   5           HA       GLN   5  -9.370  -3.461 -17.226
   42    HB2  GLN   5           1HB      GLN   5 -10.968  -3.648 -15.321
   43    HB3  GLN   5           2HB      GLN   5 -11.549  -2.628 -16.629
   44    HG2  GLN   5           1HG      GLN   5 -13.056  -4.306 -17.376
   45    HG3  GLN   5           2HG      GLN   5 -12.344  -5.509 -16.304
   46   HE21  GLN   5          1HE2      GLN   5 -12.510  -2.526 -14.773
   47   HE22  GLN   5          2HE2      GLN   5 -13.977  -2.783 -13.887
   48    H    PHE   6           H        PHE   6 -10.577  -5.193 -15.019
   49    HA   PHE   6           HA       PHE   6 -10.081  -7.030 -13.860
   50    HB2  PHE   6           1HB      PHE   6 -11.143  -8.102 -15.951
   51    HB3  PHE   6           2HB      PHE   6  -9.493  -8.555 -16.376
   52    HD1  PHE   6           HD2      PHE   6 -10.528  -8.339 -12.876
   53    HD2  PHE   6           HD1      PHE   6  -9.997 -10.927 -16.221
   54    HE1  PHE   6           HE2      PHE   6 -10.700 -10.295 -11.390
   55    HE2  PHE   6           HE1      PHE   6 -10.166 -12.880 -14.737
   56    HZ   PHE   6           HZ       PHE   6 -10.516 -12.568 -12.320
   57    H    ASP   7           H        ASP   7  -8.022  -5.169 -14.995
   58    HA   ASP   7           HA       ASP   7  -5.675  -6.729 -14.133
   59    HB2  ASP   7           1HB      ASP   7  -5.847  -3.870 -15.151
   60    HB3  ASP   7           2HB      ASP   7  -4.383  -4.614 -14.519
   61    H    LEU   8           H        LEU   8  -8.133  -6.118 -12.825
   62    HA   LEU   8           HA       LEU   8  -7.882  -3.951 -11.032
   63    HB2  LEU   8           1HB      LEU   8  -9.715  -6.326 -10.909
   64    HB3  LEU   8           2HB      LEU   8  -9.926  -4.797 -10.085
   65    HG   LEU   8           HG       LEU   8 -10.600  -5.563 -12.840
   66   HD11  LEU   8          1HD1      LEU   8 -12.335  -5.073 -11.370
   67   HD12  LEU   8          2HD1      LEU   8 -11.517  -3.631 -10.767
   68   HD13  LEU   8          3HD1      LEU   8 -12.195  -3.642 -12.394
   69   HD21  LEU   8          3HD2      LEU   8  -8.642  -3.831 -12.989
   70   HD22  LEU   8          1HD2      LEU   8 -10.097  -3.614 -13.965
   71   HD23  LEU   8          2HD2      LEU   8  -9.883  -2.686 -12.477
   72    H    ILE   9           H        ILE   9  -6.041  -4.179  -9.798
   73    HA   ILE   9           HA       ILE   9  -5.985  -5.698  -7.475
   74    HB   ILE   9           HB       ILE   9  -5.736  -7.388  -9.499
   75   HG12  ILE   9          1HG1      ILE   9  -4.692  -8.945  -8.001
   76   HG13  ILE   9          2HG1      ILE   9  -3.962  -7.645  -7.065
   77   HG21  ILE   9          1HG2      ILE   9  -2.903  -7.355  -9.094
   78   HG22  ILE   9          2HG2      ILE   9  -3.829  -7.324 -10.596
   79   HG23  ILE   9          3HG2      ILE   9  -3.486  -5.818  -9.740
   80   HD11  ILE   9          3HD1      ILE   9  -6.814  -7.323  -7.229
   81   HD12  ILE   9          1HD1      ILE   9  -6.384  -8.912  -6.579
   82   HD13  ILE   9          2HD1      ILE   9  -5.773  -7.444  -5.806
   83    H    MET  10           H        MET  10  -3.525  -5.839  -6.714
   84    HA   MET  10           HA       MET  10  -2.541  -3.270  -6.581
   85    HB2  MET  10           1HB      MET  10  -0.339  -5.062  -6.335
   86    HB3  MET  10           2HB      MET  10  -1.188  -4.179  -5.080
   87    HG2  MET  10           1HG      MET  10  -2.022  -6.851  -6.175
   88    HG3  MET  10           2HG      MET  10  -1.097  -6.612  -4.692
   89    HE1  MET  10           3HE      MET  10  -2.006  -4.742  -2.906
   90    HE2  MET  10           1HE      MET  10  -2.819  -3.680  -4.055
   91    HE3  MET  10           2HE      MET  10  -3.719  -4.362  -2.700
   92    H    CYS  11           H        CYS  11  -1.192  -2.084  -7.612
   93    HA   CYS  11           HA       CYS  11  -0.682  -2.220 -10.304
   94    HB2  CYS  11           1HB      CYS  11  -0.619  -0.157  -9.165
   95    HB3  CYS  11           2HB      CYS  11   0.564  -0.732  -8.007
   96    H    LEU  12           H        LEU  12   1.333  -3.319  -7.641
   97    HA   LEU  12           HA       LEU  12   3.312  -4.421  -7.528
   98    HB2  LEU  12           1HB      LEU  12   1.194  -5.827  -8.762
   99    HB3  LEU  12           2HB      LEU  12   2.703  -6.394  -9.456
  100    HG   LEU  12           HG       LEU  12   3.559  -6.934  -7.264
  101   HD11  LEU  12          1HD1      LEU  12   2.767  -6.148  -5.348
  102   HD12  LEU  12          2HD1      LEU  12   1.785  -5.057  -6.326
  103   HD13  LEU  12          3HD1      LEU  12   1.111  -6.588  -5.762
  104   HD21  LEU  12          3HD2      LEU  12   1.543  -8.497  -6.574
  105   HD22  LEU  12          1HD2      LEU  12   0.956  -8.003  -8.162
  106   HD23  LEU  12          2HD2      LEU  12   2.520  -8.810  -8.010
  107    H    LYS  13           H        LYS  13   3.991  -2.333  -9.138
  108    HA   LYS  13           HA       LYS  13   5.626  -3.512 -11.265
  109    HB2  LYS  13           1HB      LYS  13   5.425  -0.651 -10.316
  110    HB3  LYS  13           2HB      LYS  13   6.415  -1.210 -11.652
  111    HG2  LYS  13           1HG      LYS  13   4.337  -1.951 -12.795
  112    HG3  LYS  13           2HG      LYS  13   3.422  -1.163 -11.507
  113    HD2  LYS  13           1HD      LYS  13   4.799   0.904 -12.022
  114    HD3  LYS  13           2HD      LYS  13   5.252   0.083 -13.516
  115    HE2  LYS  13           1HE      LYS  13   2.440   0.617 -12.611
  116    HE3  LYS  13           2HE      LYS  13   3.340   1.582 -13.758
  117    HZ1  LYS  13           3HZ      LYS  13   2.424   0.256 -15.289
  118    HZ2  LYS  13           1HZ      LYS  13   1.987  -0.919 -14.149
  119    HZ3  LYS  13           2HZ      LYS  13   3.554  -0.904 -14.792
  120    H    GLN  14           H        GLN  14   7.742  -1.598 -10.795
  121    HA   GLN  14           HA       GLN  14   9.187  -3.100  -8.773
  122    HB2  GLN  14           1HB      GLN  14  10.241  -2.609 -10.935
  123    HB3  GLN  14           2HB      GLN  14  10.076  -0.886 -10.629
  124    HG2  GLN  14           1HG      GLN  14  12.336  -1.699 -10.226
  125    HG3  GLN  14           2HG      GLN  14  11.591  -1.024  -8.780
  126   HE21  GLN  14          1HE2      GLN  14  12.328  -2.092  -7.102
  127   HE22  GLN  14          2HE2      GLN  14  12.447  -3.816  -6.957
  128    HA   PRO  15           HA       PRO  15   7.881  -0.144  -5.690
  129    HB2  PRO  15           1HB      PRO  15  10.021  -1.506  -4.142
  130    HB3  PRO  15           2HB      PRO  15   8.329  -1.223  -3.718
  131    HG2  PRO  15           1HG      PRO  15   9.162  -3.644  -4.440
  132    HG3  PRO  15           2HG      PRO  15   7.580  -3.033  -4.961
  133    HD2  PRO  15           1HD      PRO  15  10.130  -3.254  -6.502
  134    HD3  PRO  15           2HD      PRO  15   8.461  -3.541  -7.036
  135    H    GLY  16           H        GLY  16   8.538   1.830  -5.174
  136    HA2  GLY  16           2HA      GLY  16  11.230   2.666  -5.920
  137    HA3  GLY  16           1HA      GLY  16   9.894   3.719  -5.468
  138    H    VAL  17           H        VAL  17   9.967   4.600  -3.536
  139    HA   VAL  17           HA       VAL  17  11.201   3.165  -1.320
  140    HB   VAL  17           HB       VAL  17  13.031   4.492  -2.339
  141   HG11  VAL  17          1HG1      VAL  17  11.677   6.990  -1.394
  142   HG12  VAL  17          2HG1      VAL  17  13.034   6.804  -2.508
  143   HG13  VAL  17          3HG1      VAL  17  11.404   6.369  -3.022
  144   HG21  VAL  17          3HG2      VAL  17  13.625   5.753  -0.196
  145   HG22  VAL  17          1HG2      VAL  17  12.095   5.141   0.434
  146   HG23  VAL  17          2HG2      VAL  17  13.353   4.015  -0.078
  147    H    GLN  18           H        GLN  18   9.142   5.672  -2.564
  148    HA   GLN  18           HA       GLN  18   8.425   6.852  -0.100
  149    HB2  GLN  18           1HB      GLN  18   7.159   6.811  -2.824
  150    HB3  GLN  18           2HB      GLN  18   6.365   7.601  -1.469
  151    HG2  GLN  18           1HG      GLN  18   8.488   8.918  -1.145
  152    HG3  GLN  18           2HG      GLN  18   9.028   8.259  -2.688
  153   HE21  GLN  18          1HE2      GLN  18   8.682   9.496  -4.359
  154   HE22  GLN  18          2HE2      GLN  18   7.431  10.689  -4.517
  155    H    THR  19           H        THR  19   7.033   6.328   1.398
  156    HA   THR  19           HA       THR  19   5.968   3.688   1.463
  157    HB   THR  19           HB       THR  19   5.364   5.893   3.433
  158    HG1  THR  19           HG1      THR  19   7.527   5.984   3.439
  159   HG21  THR  19          1HG2      THR  19   4.207   3.684   3.647
  160   HG22  THR  19          2HG2      THR  19   5.205   4.116   5.035
  161   HG23  THR  19          3HG2      THR  19   5.789   2.936   3.861
  162    H    GLY  20           H        GLY  20   3.901   3.000   1.196
  163    HA2  GLY  20           2HA      GLY  20   2.046   4.752  -0.134
  164    HA3  GLY  20           1HA      GLY  20   1.780   3.063   0.272
  165    H    LEU  21           H        LEU  21   0.724   6.101   0.846
  166    HA   LEU  21           HA       LEU  21   0.100   5.747   3.656
  167    HB2  LEU  21           1HB      LEU  21  -0.420   7.995   1.724
  168    HB3  LEU  21           2HB      LEU  21  -0.990   8.001   3.380
  169    HG   LEU  21           HG       LEU  21   1.916   7.855   2.570
  170   HD11  LEU  21          1HD1      LEU  21   0.219  10.160   3.496
  171   HD12  LEU  21          2HD1      LEU  21   1.980  10.182   3.445
  172   HD13  LEU  21          3HD1      LEU  21   1.059   9.997   1.954
  173   HD21  LEU  21          3HD2      LEU  21   1.130   6.866   4.808
  174   HD22  LEU  21          1HD2      LEU  21   2.454   8.030   4.828
  175   HD23  LEU  21          2HD2      LEU  21   0.825   8.539   5.276
  176    H    LEU  22           H        LEU  22  -1.908   5.511   4.514
  177    HA   LEU  22           HA       LEU  22  -4.077   4.777   2.660
  178    HB2  LEU  22           1HB      LEU  22  -3.736   4.181   5.604
  179    HB3  LEU  22           2HB      LEU  22  -5.119   3.707   4.636
  180    HG   LEU  22           HG       LEU  22  -2.290   2.721   4.344
  181   HD11  LEU  22          1HD1      LEU  22  -3.266   0.571   4.995
  182   HD12  LEU  22          2HD1      LEU  22  -3.473   1.788   6.254
  183   HD13  LEU  22          3HD1      LEU  22  -4.831   1.352   5.218
  184   HD21  LEU  22          3HD2      LEU  22  -3.786   3.041   2.230
  185   HD22  LEU  22          1HD2      LEU  22  -2.899   1.537   2.464
  186   HD23  LEU  22          2HD2      LEU  22  -4.620   1.613   2.841
  187    H    CYS  23           H        CYS  23  -5.900   5.982   2.625
  188    HA   CYS  23           HA       CYS  23  -6.023   8.437   4.118
  189    HB2  CYS  23           1HB      CYS  23  -7.981   8.933   2.930
  190    HB3  CYS  23           2HB      CYS  23  -7.049   7.978   1.783
  191    H    GLU  24           H        GLU  24  -7.675   8.917   5.686
  192    HA   GLU  24           HA       GLU  24  -7.765   7.214   7.810
  193    HB2  GLU  24           1HB      GLU  24  -9.911   9.221   7.107
  194    HB3  GLU  24           2HB      GLU  24  -9.549   8.599   8.712
  195    HG2  GLU  24           1HG      GLU  24  -7.374   9.648   8.669
  196    HG3  GLU  24           2HG      GLU  24  -7.646  10.199   7.017
  197    H    LYS  25           H        LYS  25  -9.992   7.256   5.089
  198    HA   LYS  25           HA       LYS  25 -11.995   5.643   6.282
  199    HB2  LYS  25           1HB      LYS  25 -11.430   5.993   3.336
  200    HB3  LYS  25           2HB      LYS  25 -12.940   5.459   4.063
  201    HG2  LYS  25           1HG      LYS  25 -11.692   8.188   4.306
  202    HG3  LYS  25           2HG      LYS  25 -13.131   7.755   3.379
  203    HD2  LYS  25           1HD      LYS  25 -14.313   7.192   5.412
  204    HD3  LYS  25           2HD      LYS  25 -12.860   7.489   6.371
  205    HE2  LYS  25           1HE      LYS  25 -12.890   9.840   5.598
  206    HE3  LYS  25           2HE      LYS  25 -14.414   9.515   4.770
  207    HZ1  LYS  25           3HZ      LYS  25 -13.923   9.320   7.691
  208    HZ2  LYS  25           1HZ      LYS  25 -15.382   8.923   6.924
  209    HZ3  LYS  25           2HZ      LYS  25 -14.818  10.526   6.906
  210    H    CYS  26           H        CYS  26  -9.218   4.839   4.208
  211    HA   CYS  26           HA       CYS  26  -9.941   2.011   4.297
  212    HB2  CYS  26           1HB      CYS  26  -7.526   3.257   2.972
  213    HB3  CYS  26           2HB      CYS  26  -8.153   1.634   2.724
  214    H    ASP  27           H        ASP  27  -8.210   4.270   6.019
  215    HA   ASP  27           HA       ASP  27  -5.858   3.065   6.752
  216    HB2  ASP  27           1HB      ASP  27  -6.618   5.384   7.346
  217    HB3  ASP  27           2HB      ASP  27  -7.615   4.676   8.611
  218    H    GLY  28           H        GLY  28  -5.514   1.162   7.528
  219    HA2  GLY  28           2HA      GLY  28  -5.675  -0.220   9.601
  220    HA3  GLY  28           1HA      GLY  28  -7.412   0.035   9.492
  221    H    LYS  29           H        LYS  29  -7.398  -0.189   6.574
  222    HA   LYS  29           HA       LYS  29  -7.647  -3.059   6.410
  223    HB2  LYS  29           1HB      LYS  29  -7.919  -0.946   4.258
  224    HB3  LYS  29           2HB      LYS  29  -8.362  -2.637   4.088
  225    HG2  LYS  29           1HG      LYS  29 -10.099  -2.367   5.768
  226    HG3  LYS  29           2HG      LYS  29  -9.640  -0.674   5.981
  227    HD2  LYS  29           1HD      LYS  29 -10.227  -0.199   3.671
  228    HD3  LYS  29           2HD      LYS  29 -10.608  -1.900   3.396
  229    HE2  LYS  29           1HE      LYS  29 -12.647  -0.651   3.724
  230    HE3  LYS  29           2HE      LYS  29 -12.399  -1.749   5.080
  231    HZ1  LYS  29           3HZ      LYS  29 -11.217   0.485   5.966
  232    HZ2  LYS  29           1HZ      LYS  29 -12.823   0.065   6.285
  233    HZ3  LYS  29           2HZ      LYS  29 -12.464   1.144   5.027
  234    H    CYS  30           H        CYS  30  -6.113  -4.425   5.731
  235    HA   CYS  30           HA       CYS  30  -3.569  -3.542   4.752
  236    HB2  CYS  30           1HB      CYS  30  -3.725  -5.635   5.963
  237    HB3  CYS  30           2HB      CYS  30  -4.916  -6.254   4.827
  238    HA   PRO  31           HA       PRO  31  -5.171  -2.367   0.810
  239    HB2  PRO  31           1HB      PRO  31  -2.662  -2.598  -0.488
  240    HB3  PRO  31           2HB      PRO  31  -3.385  -1.141   0.193
  241    HG2  PRO  31           1HG      PRO  31  -1.364  -2.978   1.361
  242    HG3  PRO  31           2HG      PRO  31  -1.579  -1.235   1.604
  243    HD2  PRO  31           1HD      PRO  31  -2.271  -2.999   3.495
  244    HD3  PRO  31           2HD      PRO  31  -3.240  -1.536   3.202
  245    H    ILE  32           H        ILE  32  -2.911  -5.093   0.876
  246    HA   ILE  32           HA       ILE  32  -3.571  -6.042  -1.679
  247    HB   ILE  32           HB       ILE  32  -2.285  -7.441   0.656
  248   HG12  ILE  32          1HG1      ILE  32  -1.331  -5.406  -0.881
  249   HG13  ILE  32          2HG1      ILE  32  -0.315  -6.599  -0.079
  250   HG21  ILE  32          1HG2      ILE  32  -2.497  -8.390  -2.200
  251   HG22  ILE  32          2HG2      ILE  32  -1.566  -9.164  -0.916
  252   HG23  ILE  32          3HG2      ILE  32  -3.324  -9.091  -0.810
  253   HD11  ILE  32          3HD1      ILE  32  -1.246  -6.662  -2.939
  254   HD12  ILE  32          1HD1      ILE  32   0.372  -6.261  -2.368
  255   HD13  ILE  32          2HD1      ILE  32  -0.256  -7.897  -2.160
  256    H    CYS  33           H        CYS  33  -4.678  -7.185   1.520
  257    HA   CYS  33           HA       CYS  33  -6.476  -8.998   0.090
  258    HB2  CYS  33           1HB      CYS  33  -6.448 -10.392   2.068
  259    HB3  CYS  33           2HB      CYS  33  -4.800 -10.016   1.577
  260    H    ASP  34           H        ASP  34  -6.632  -6.129   1.792
  261    HA   ASP  34           HA       ASP  34  -8.287  -4.907   2.742
  262    HB2  ASP  34           1HB      ASP  34  -9.443  -5.573   0.579
  263    HB3  ASP  34           2HB      ASP  34 -10.256  -6.834   1.499
  264    H    SER  35           H        SER  35  -7.361  -5.902   4.709
  265    HA   SER  35           HA       SER  35  -9.453  -7.016   6.351
  266    HB2  SER  35           1HB      SER  35  -8.491  -9.019   5.222
  267    HB3  SER  35           2HB      SER  35  -6.909  -8.597   5.873
  268    HG   SER  35           HG       SER  35  -8.924  -9.945   7.037
  269    H    TYR  36           H        TYR  36  -9.146  -6.549   8.495
  270    HA   TYR  36           HA       TYR  36  -6.950  -4.749   9.117
  271    HB2  TYR  36           1HB      TYR  36  -9.379  -5.627  10.680
  272    HB3  TYR  36           2HB      TYR  36  -8.142  -4.574  11.352
  273    HD1  TYR  36           HD2      TYR  36 -10.190  -4.746   8.211
  274    HD2  TYR  36           HD1      TYR  36  -8.668  -2.342  11.374
  275    HE1  TYR  36           HE2      TYR  36 -11.363  -2.794   7.287
  276    HE2  TYR  36           HE1      TYR  36  -9.845  -0.386  10.463
  277    HH   TYR  36           HH       TYR  36 -11.256   0.364   8.915
  278    H    VAL  37           H        VAL  37  -6.335  -7.564   8.692
  279    HA   VAL  37           HA       VAL  37  -5.736  -8.665  11.289
  280    HB   VAL  37           HB       VAL  37  -6.343 -10.203   9.527
  281   HG11  VAL  37          1HG1      VAL  37  -5.365 -10.386   7.472
  282   HG12  VAL  37          2HG1      VAL  37  -5.215  -8.653   7.754
  283   HG13  VAL  37          3HG1      VAL  37  -3.830  -9.711   8.018
  284   HG21  VAL  37          3HG2      VAL  37  -5.062 -11.510  10.835
  285   HG22  VAL  37          1HG2      VAL  37  -3.948 -11.463   9.469
  286   HG23  VAL  37          2HG2      VAL  37  -3.717 -10.368  10.833
  287    H    ARG  38           H        ARG  38  -3.693  -9.006  12.131
  288    HA   ARG  38           HA       ARG  38  -2.149  -6.949  12.584
  289    HB2  ARG  38           1HB      ARG  38  -0.959  -9.698  12.227
  290    HB3  ARG  38           2HB      ARG  38  -0.294  -8.399  13.204
  291    HG2  ARG  38           1HG      ARG  38  -2.408  -8.504  14.566
  292    HG3  ARG  38           2HG      ARG  38  -2.789  -9.987  13.681
  293    HD2  ARG  38           1HD      ARG  38  -1.627 -10.313  15.900
  294    HD3  ARG  38           2HD      ARG  38  -0.865 -11.089  14.511
  295    HE   ARG  38           HE       ARG  38   0.973  -9.781  14.828
  296   HH11  ARG  38          2HH1      ARG  38  -1.665  -8.410  16.678
  297   HH12  ARG  38          1HH1      ARG  38  -0.736  -7.063  17.264
  298   HH21  ARG  38          2HH2      ARG  38   2.214  -8.031  15.612
  299   HH22  ARG  38          1HH2      ARG  38   1.474  -6.846  16.650
  300    HA   PRO  39           HA       PRO  39   0.171  -6.047   8.827
  301    HB2  PRO  39           1HB      PRO  39   0.959  -3.598   9.594
  302    HB3  PRO  39           2HB      PRO  39  -0.683  -3.917   9.030
  303    HG2  PRO  39           1HG      PRO  39   0.326  -3.478  11.786
  304    HG3  PRO  39           2HG      PRO  39  -1.245  -3.061  11.085
  305    HD2  PRO  39           1HD      PRO  39  -0.675  -5.287  12.706
  306    HD3  PRO  39           2HD      PRO  39  -2.147  -5.027  11.752
  307    H    LYS  40           H        LYS  40   2.386  -5.999   8.343
  308    HA   LYS  40           HA       LYS  40   4.260  -6.041  10.605
  309    HB2  LYS  40           1HB      LYS  40   3.977  -8.159   8.485
  310    HB3  LYS  40           2HB      LYS  40   5.479  -7.930   9.368
  311    HG2  LYS  40           1HG      LYS  40   4.273  -8.333  11.476
  312    HG3  LYS  40           2HG      LYS  40   2.803  -8.646  10.549
  313    HD2  LYS  40           1HD      LYS  40   3.918 -10.731  11.159
  314    HD3  LYS  40           2HD      LYS  40   3.916 -10.501   9.410
  315    HE2  LYS  40           1HE      LYS  40   6.227  -9.650   9.548
  316    HE3  LYS  40           2HE      LYS  40   6.216  -9.956  11.283
  317    HZ1  LYS  40           3HZ      LYS  40   6.118 -12.258  10.943
  318    HZ2  LYS  40           1HZ      LYS  40   7.262 -11.714   9.817
  319    HZ3  LYS  40           2HZ      LYS  40   5.695 -12.101   9.310
  320    H    ARG  41           H        ARG  41   4.467  -6.575   7.074
  321    HA   ARG  41           HA       ARG  41   6.905  -5.065   6.956
  322    HB2  ARG  41           1HB      ARG  41   6.461  -7.064   5.535
  323    HB3  ARG  41           2HB      ARG  41   5.237  -6.141   4.673
  324    HG2  ARG  41           1HG      ARG  41   7.103  -6.000   3.299
  325    HG3  ARG  41           2HG      ARG  41   7.123  -4.472   4.181
  326    HD2  ARG  41           1HD      ARG  41   9.336  -5.189   4.286
  327    HD3  ARG  41           2HD      ARG  41   8.665  -5.687   5.838
  328    HE   ARG  41           HE       ARG  41   8.412  -7.772   3.926
  329   HH11  ARG  41          2HH1      ARG  41  10.683  -6.246   6.111
  330   HH12  ARG  41          1HH1      ARG  41  11.820  -7.558   6.057
  331   HH21  ARG  41          2HH2      ARG  41   9.914  -9.516   3.868
  332   HH22  ARG  41          1HH2      ARG  41  11.366  -9.427   4.817
  333    H    LYS  42           H        LYS  42   7.210  -2.982   6.395
  334    HA   LYS  42           HA       LYS  42   4.965  -1.236   6.166
  335    HB2  LYS  42           1HB      LYS  42   7.108  -0.530   7.179
  336    HB3  LYS  42           2HB      LYS  42   7.880  -0.661   5.604
  337    HG2  LYS  42           1HG      LYS  42   6.432   1.087   4.730
  338    HG3  LYS  42           2HG      LYS  42   5.610   1.196   6.283
  339    HD2  LYS  42           1HD      LYS  42   8.551   1.706   5.890
  340    HD3  LYS  42           2HD      LYS  42   7.317   2.968   5.901
  341    HE2  LYS  42           1HE      LYS  42   6.649   2.100   8.185
  342    HE3  LYS  42           2HE      LYS  42   8.127   1.139   8.149
  343    HZ1  LYS  42           3HZ      LYS  42   7.967   4.095   7.949
  344    HZ2  LYS  42           1HZ      LYS  42   9.399   3.184   7.876
  345    HZ3  LYS  42           2HZ      LYS  42   8.481   3.218   9.306
  346    H    VAL  43           H        VAL  43   3.982  -0.422   4.477
  347    HA   VAL  43           HA       VAL  43   4.377  -1.636   1.925
  348    HB   VAL  43           HB       VAL  43   2.425   0.304   3.096
  349   HG11  VAL  43          1HG1      VAL  43   1.441  -0.070   0.584
  350   HG12  VAL  43          2HG1      VAL  43   2.254   1.388   1.156
  351   HG13  VAL  43          3HG1      VAL  43   3.162   0.160   0.278
  352   HG21  VAL  43          3HG2      VAL  43   2.517  -2.470   2.617
  353   HG22  VAL  43          1HG2      VAL  43   1.181  -1.518   3.268
  354   HG23  VAL  43          2HG2      VAL  43   1.299  -1.800   1.532
  355    H    ARG  44           H        ARG  44   5.551  -0.930   0.276
  356    HA   ARG  44           HA       ARG  44   6.049   1.955   0.045
  357    HB2  ARG  44           1HB      ARG  44   8.020  -0.285  -0.348
  358    HB3  ARG  44           2HB      ARG  44   8.214   1.247  -1.187
  359    HG2  ARG  44           1HG      ARG  44   8.244   2.404   0.988
  360    HG3  ARG  44           2HG      ARG  44   8.136   0.837   1.795
  361    HD2  ARG  44           1HD      ARG  44  10.244   0.158   0.933
  362    HD3  ARG  44           2HD      ARG  44  10.317   1.543  -0.154
  363    HE   ARG  44           HE       ARG  44  10.149   2.456   2.511
  364   HH11  ARG  44          2HH1      ARG  44  12.371   0.883   0.303
  365   HH12  ARG  44          1HH1      ARG  44  13.794   1.462   1.119
  366   HH21  ARG  44          2HH2      ARG  44  12.027   3.258   3.564
  367   HH22  ARG  44          1HH2      ARG  44  13.597   2.859   2.933
  368    H    VAL  45           H        VAL  45   5.383   2.777  -1.830
  369    HA   VAL  45           HA       VAL  45   4.238   0.960  -3.780
  370    HB   VAL  45           HB       VAL  45   3.507   3.102  -4.929
  371   HG11  VAL  45          1HG1      VAL  45   2.476   1.733  -2.723
  372   HG12  VAL  45          2HG1      VAL  45   2.273   3.445  -2.352
  373   HG13  VAL  45          3HG1      VAL  45   1.599   2.779  -3.842
  374   HG21  VAL  45          3HG2      VAL  45   3.790   5.174  -3.949
  375   HG22  VAL  45          1HG2      VAL  45   4.112   4.496  -2.354
  376   HG23  VAL  45          2HG2      VAL  45   5.343   4.409  -3.613
  377    H    CYS  46           H        CYS  46   4.624   1.208  -6.067
  378    HA   CYS  46           HA       CYS  46   7.385   1.234  -6.715
  379    HB2  CYS  46           1HB      CYS  46   6.757   0.649  -8.878
  380    HB3  CYS  46           2HB      CYS  46   5.404   0.041  -7.933
  381    H    GLU  47           H        GLU  47   8.541   2.769  -7.936
  382    HA   GLU  47           HA       GLU  47   8.246   5.388  -7.154
  383    HB2  GLU  47           1HB      GLU  47   9.859   5.953  -8.909
  384    HB3  GLU  47           2HB      GLU  47  10.338   4.516  -8.014
  385    HG2  GLU  47           1HG      GLU  47   9.414   3.134  -9.849
  386    HG3  GLU  47           2HG      GLU  47   9.086   4.618 -10.745
  387    H    ASN  48           H        ASN  48   6.823   3.793  -9.910
  388    HA   ASN  48           HA       ASN  48   6.017   6.036 -11.403
  389    HB2  ASN  48           1HB      ASN  48   4.906   3.245 -11.131
  390    HB3  ASN  48           2HB      ASN  48   4.173   4.431 -12.202
  391   HD21  ASN  48          1HD2      ASN  48   6.497   2.058 -11.880
  392   HD22  ASN  48          2HD2      ASN  48   7.355   2.332 -13.357
  393    H    CYS  49           H        CYS  49   4.718   4.498  -8.555
  394    HA   CYS  49           HA       CYS  49   2.421   6.331  -8.542
  395    HB2  CYS  49           1HB      CYS  49   3.013   3.975  -6.744
  396    HB3  CYS  49           2HB      CYS  49   1.583   4.994  -6.648
  397    H    SER  50           H        SER  50   5.081   7.261  -8.167
  398    HA   SER  50           HA       SER  50   4.717   8.473  -5.539
  399    HB2  SER  50           1HB      SER  50   7.409   7.457  -6.466
  400    HB3  SER  50           2HB      SER  50   7.034   8.203  -4.919
  401    HG   SER  50           HG       SER  50   5.381   6.185  -5.173
  402    H    PHE  51           H        PHE  51   6.543   8.532  -8.624
  403    HA   PHE  51           HA       PHE  51   6.934  11.391  -8.267
  404    HB2  PHE  51           1HB      PHE  51   8.146  11.293 -10.450
  405    HB3  PHE  51           2HB      PHE  51   8.835  10.297  -9.180
  406    HD1  PHE  51           HD2      PHE  51   6.111   9.707 -11.696
  407    HD2  PHE  51           HD1      PHE  51   9.853   8.480 -10.084
  408    HE1  PHE  51           HE2      PHE  51   6.140   7.789 -13.232
  409    HE2  PHE  51           HE1      PHE  51   9.892   6.567 -11.627
  410    HZ   PHE  51           HZ       PHE  51   8.034   6.217 -13.200
  411    H    GLY  52           H        GLY  52   4.633   9.343  -9.723
  412    HA2  GLY  52           2HA      GLY  52   3.792  11.207 -11.759
  413    HA3  GLY  52           1HA      GLY  52   2.982   9.712 -11.313
  414    H    LYS  53           H        LYS  53   0.939  10.669 -11.342
  415    HA   LYS  53           HA       LYS  53   0.378  12.939  -9.632
  416    HB2  LYS  53           1HB      LYS  53  -1.952  12.658 -10.395
  417    HB3  LYS  53           2HB      LYS  53  -0.821  12.750 -11.737
  418    HG2  LYS  53           1HG      LYS  53  -0.938  10.363 -12.054
  419    HG3  LYS  53           2HG      LYS  53  -1.964  10.195 -10.629
  420    HD2  LYS  53           1HD      LYS  53  -3.309  10.104 -12.644
  421    HD3  LYS  53           2HD      LYS  53  -3.686  11.562 -11.728
  422    HE2  LYS  53           1HE      LYS  53  -2.340  12.900 -13.213
  423    HE3  LYS  53           2HE      LYS  53  -1.796  11.462 -14.072
  424    HZ1  LYS  53           3HZ      LYS  53  -3.656  12.816 -15.112
  425    HZ2  LYS  53           1HZ      LYS  53  -4.661  12.167 -13.905
  426    HZ3  LYS  53           2HZ      LYS  53  -3.887  11.136 -15.008
  427    H    GLN  54           H        GLN  54   1.443  10.758  -8.238
  428    HA   GLN  54           HA       GLN  54  -0.442  10.536  -6.135
  429    HB2  GLN  54           1HB      GLN  54  -0.649   8.087  -6.085
  430    HB3  GLN  54           2HB      GLN  54  -1.383   8.764  -7.531
  431    HG2  GLN  54           1HG      GLN  54   1.409   7.994  -7.891
  432    HG3  GLN  54           2HG      GLN  54   0.353   6.655  -7.448
  433   HE21  GLN  54          1HE2      GLN  54  -1.733   8.581  -8.874
  434   HE22  GLN  54          2HE2      GLN  54  -1.592   8.069 -10.521
  435    H    ALA  55           H        ALA  55   0.543  10.034  -4.253
  436    HA   ALA  55           HA       ALA  55   3.008   8.690  -3.951
  437    HB1  ALA  55           3HB      ALA  55   3.730  10.881  -5.032
  438    HB2  ALA  55           1HB      ALA  55   3.231  11.663  -3.532
  439    HB3  ALA  55           2HB      ALA  55   4.517  10.455  -3.513
  440    H    LYS  56           H        LYS  56   1.061  11.361  -2.699
  441    HA   LYS  56           HA       LYS  56   1.290  10.276   0.013
  442    HB2  LYS  56           1HB      LYS  56   0.121  12.885  -0.966
  443    HB3  LYS  56           2HB      LYS  56   0.221  12.391   0.717
  444    HG2  LYS  56           1HG      LYS  56   2.610  12.769  -1.074
  445    HG3  LYS  56           2HG      LYS  56   1.969  14.007   0.005
  446    HD2  LYS  56           1HD      LYS  56   3.632  13.092   1.309
  447    HD3  LYS  56           2HD      LYS  56   2.235  12.148   1.823
  448    HE2  LYS  56           1HE      LYS  56   4.056  10.640   1.491
  449    HE3  LYS  56           2HE      LYS  56   2.906  10.397   0.176
  450    HZ1  LYS  56           3HZ      LYS  56   5.596  11.560   0.104
  451    HZ2  LYS  56           1HZ      LYS  56   4.449  12.133  -1.005
  452    HZ3  LYS  56           2HZ      LYS  56   4.857  10.489  -0.978
  453    H    ASN  57           H        ASN  57  -0.915  10.680  -2.629
  454    HA   ASN  57           HA       ASN  57  -3.342  10.434  -1.270
  455    HB2  ASN  57           1HB      ASN  57  -2.764   9.391  -4.050
  456    HB3  ASN  57           2HB      ASN  57  -4.344   9.760  -3.378
  457   HD21  ASN  57          1HD2      ASN  57  -2.379  10.810  -5.571
  458   HD22  ASN  57          2HD2      ASN  57  -2.561  12.526  -5.433
  459    H    CYS  58           H        CYS  58  -4.617   8.768  -0.727
  460    HA   CYS  58           HA       CYS  58  -3.541   6.502   0.386
  461    HB2  CYS  58           1HB      CYS  58  -5.704   7.366   0.986
  462    HB3  CYS  58           2HB      CYS  58  -6.325   7.049  -0.624
  463    H    ILE  59           H        ILE  59  -3.011   4.561  -0.266
  464    HA   ILE  59           HA       ILE  59  -2.814   4.045  -3.057
  465    HB   ILE  59           HB       ILE  59  -1.732   1.908  -2.324
  466   HG12  ILE  59          1HG1      ILE  59  -2.343   3.066   0.406
  467   HG13  ILE  59          2HG1      ILE  59  -2.857   1.507  -0.229
  468   HG21  ILE  59          1HG2      ILE  59   0.201   3.039  -2.166
  469   HG22  ILE  59          2HG2      ILE  59  -0.815   4.464  -2.394
  470   HG23  ILE  59          3HG2      ILE  59  -0.343   3.970  -0.768
  471   HD11  ILE  59          3HD1      ILE  59  -0.039   1.581  -0.352
  472   HD12  ILE  59          1HD1      ILE  59  -0.520   2.157   1.252
  473   HD13  ILE  59          2HD1      ILE  59  -1.070   0.578   0.670
  474    H    ILE  60           H        ILE  60  -5.036   3.003  -0.580
  475    HA   ILE  60           HA       ILE  60  -5.920   0.693  -2.015
  476    HB   ILE  60           HB       ILE  60  -7.160   2.103   0.345
  477   HG12  ILE  60          1HG1      ILE  60  -5.500  -0.415   0.085
  478   HG13  ILE  60          2HG1      ILE  60  -5.000   1.096   0.836
  479   HG21  ILE  60          1HG2      ILE  60  -7.876  -0.695  -0.275
  480   HG22  ILE  60          2HG2      ILE  60  -8.854   0.602   0.412
  481   HG23  ILE  60          3HG2      ILE  60  -8.565   0.541  -1.326
  482   HD11  ILE  60          3HD1      ILE  60  -7.424   0.081   2.028
  483   HD12  ILE  60          1HD1      ILE  60  -6.119  -1.103   2.091
  484   HD13  ILE  60          2HD1      ILE  60  -5.885   0.505   2.779
  485    H    CYS  61           H        CYS  61  -7.381   3.936  -1.507
  486    HA   CYS  61           HA       CYS  61  -9.338   3.160  -3.539
  487    HB2  CYS  61           1HB      CYS  61 -10.700   5.057  -2.794
  488    HB3  CYS  61           2HB      CYS  61 -10.371   3.930  -1.479
  489    H    ASN  62           H        ASN  62  -6.465   4.757  -3.245
  490    HA   ASN  62           HA       ASN  62  -5.197   5.983  -4.684
  491    HB2  ASN  62           1HB      ASN  62  -7.491   6.022  -6.640
  492    HB3  ASN  62           2HB      ASN  62  -5.771   6.147  -6.982
  493   HD21  ASN  62          1HD2      ASN  62  -8.425   4.133  -6.733
  494   HD22  ASN  62          2HD2      ASN  62  -7.611   2.610  -6.892
  495    H    LEU  63           H        LEU  63  -8.478   6.929  -4.334
  496    HA   LEU  63           HA       LEU  63  -8.234   9.498  -5.408
  497    HB2  LEU  63           1HB      LEU  63 -10.189   7.659  -4.703
  498    HB3  LEU  63           2HB      LEU  63 -10.527   9.052  -3.702
  499    HG   LEU  63           HG       LEU  63 -11.823   9.268  -5.689
  500   HD11  LEU  63          1HD1      LEU  63  -9.421  11.037  -5.548
  501   HD12  LEU  63          2HD1      LEU  63 -10.598  11.241  -6.847
  502   HD13  LEU  63          3HD1      LEU  63 -11.105  11.400  -5.165
  503   HD21  LEU  63          3HD2      LEU  63 -10.163   7.654  -6.889
  504   HD22  LEU  63          1HD2      LEU  63 -11.102   8.820  -7.824
  505   HD23  LEU  63          2HD2      LEU  63  -9.412   9.153  -7.440
  506    H    ASN  64           H        ASN  64  -9.132   8.575  -2.097
  507    HA   ASN  64           HA       ASN  64  -8.873  11.202  -1.081
  508    HB2  ASN  64           1HB      ASN  64  -8.966   8.544   0.362
  509    HB3  ASN  64           2HB      ASN  64  -9.110  10.116   1.145
  510   HD21  ASN  64          1HD2      ASN  64 -10.813   7.572  -0.054
  511   HD22  ASN  64          2HD2      ASN  64 -12.337   8.349  -0.318
  512    H    VAL  65           H        VAL  65  -7.294  12.092   0.307
  513    HA   VAL  65           HA       VAL  65  -4.625  11.281  -0.310
  514    HB   VAL  65           HB       VAL  65  -5.252  13.652  -0.023
  515   HG11  VAL  65          1HG1      VAL  65  -5.044  14.028   2.709
  516   HG12  VAL  65          2HG1      VAL  65  -6.501  14.171   1.724
  517   HG13  VAL  65          3HG1      VAL  65  -6.123  12.645   2.520
  518   HG21  VAL  65          3HG2      VAL  65  -3.112  12.798   1.924
  519   HG22  VAL  65          1HG2      VAL  65  -2.899  12.835   0.173
  520   HG23  VAL  65          2HG2      VAL  65  -3.224  14.329   1.054
  521    H    GLY  66           H        GLY  66  -3.140  10.214   0.919
  522    HA2  GLY  66           2HA      GLY  66  -4.206   8.548   2.999
  523    HA3  GLY  66           1HA      GLY  66  -2.572   8.506   2.358
  524    H    VAL  67           H        VAL  67  -3.669   8.460   5.133
  525    HA   VAL  67           HA       VAL  67  -2.196  10.785   6.173
  526    HB   VAL  67           HB       VAL  67  -3.525  10.545   8.261
  527   HG11  VAL  67          1HG1      VAL  67  -5.407  11.714   7.460
  528   HG12  VAL  67          2HG1      VAL  67  -4.091  12.095   6.349
  529   HG13  VAL  67          3HG1      VAL  67  -5.324  10.923   5.887
  530   HG21  VAL  67          3HG2      VAL  67  -5.811   9.213   7.360
  531   HG22  VAL  67          1HG2      VAL  67  -4.459   8.164   6.934
  532   HG23  VAL  67          2HG2      VAL  67  -4.684   8.677   8.607
  533    H    ASN  68           H        ASN  68  -2.935   7.341   6.828
  534    HA   ASN  68           HA       ASN  68  -0.393   7.254   8.321
  535    HB2  ASN  68           1HB      ASN  68  -2.905   5.630   8.704
  536    HB3  ASN  68           2HB      ASN  68  -1.363   5.191   9.432
  537   HD21  ASN  68          1HD2      ASN  68  -4.182   6.541  10.103
  538   HD22  ASN  68          2HD2      ASN  68  -3.721   7.716  11.298
  539    H    ASP  69           H        ASP  69   1.126   5.870   7.781
  540    HA   ASP  69           HA       ASP  69   1.195   4.785   5.190
  541    HB2  ASP  69           1HB      ASP  69   2.967   3.904   7.481
  542    HB3  ASP  69           2HB      ASP  69   3.365   3.969   5.769
  543    H    ALA  70           H        ALA  70   0.764   2.860   4.372
  544    HA   ALA  70           HA       ALA  70  -0.742   0.972   5.919
  545    HB1  ALA  70           3HB      ALA  70  -0.285   1.531   3.137
  546    HB2  ALA  70           1HB      ALA  70  -0.115  -0.195   3.463
  547    HB3  ALA  70           2HB      ALA  70  -1.604   0.644   3.902
  548    H    PHE  71           H        PHE  71  -0.249  -1.226   6.201
  549    HA   PHE  71           HA       PHE  71   2.522  -2.040   5.765
  550    HB2  PHE  71           1HB      PHE  71   1.041  -2.097   8.376
  551    HB3  PHE  71           2HB      PHE  71   2.243  -3.327   8.026
  552    HD1  PHE  71           HD2      PHE  71   1.950   0.399   7.818
  553    HD2  PHE  71           HD1      PHE  71   4.328  -2.966   8.880
  554    HE1  PHE  71           HE2      PHE  71   3.719   1.906   8.622
  555    HE2  PHE  71           HE1      PHE  71   6.092  -1.462   9.701
  556    HZ   PHE  71           HZ       PHE  71   5.788   0.976   9.571
  557    H    TYR  72           H        TYR  72   2.688  -4.084   5.000
  558    HA   TYR  72           HA       TYR  72   0.339  -5.485   4.171
  559    HB2  TYR  72           1HB      TYR  72   3.188  -6.498   4.358
  560    HB3  TYR  72           2HB      TYR  72   1.876  -7.286   3.496
  561    HD1  TYR  72           HD1      TYR  72   1.072  -6.383   1.364
  562    HD2  TYR  72           HD2      TYR  72   4.328  -4.590   3.437
  563    HE1  TYR  72           HE1      TYR  72   1.719  -5.197  -0.689
  564    HE2  TYR  72           HE2      TYR  72   4.983  -3.399   1.388
  565    HH   TYR  72           HH       TYR  72   3.774  -4.183  -1.666
  566    H    CYS  73           H        CYS  73  -0.817  -6.962   5.268
  567    HA   CYS  73           HA       CYS  73  -0.318  -7.407   8.004
  568    HB2  CYS  73           1HB      CYS  73  -2.298  -8.682   8.036
  569    HB3  CYS  73           2HB      CYS  73  -2.565  -7.458   6.799
  570    H    TRP  74           H        TRP  74  -0.136  -9.518   9.042
  571    HA   TRP  74           HA       TRP  74   2.167 -10.879   8.433
  572    HB2  TRP  74           1HB      TRP  74   1.031 -10.976  10.611
  573    HB3  TRP  74           2HB      TRP  74  -0.260 -11.938   9.902
  574    HD1  TRP  74           HD1      TRP  74   3.554 -12.492   9.498
  575    HE1  TRP  74           HE1      TRP  74   4.111 -14.871  10.320
  576    HE3  TRP  74           HE3      TRP  74  -1.074 -13.854  11.182
  577    HZ2  TRP  74           HZ2      TRP  74   2.752 -17.033  11.530
  578    HZ3  TRP  74           HZ3      TRP  74  -1.362 -16.095  12.155
  579    HH2  TRP  74           HH2      TRP  74   0.511 -17.650  12.324
  580    H    GLU  75           H        GLU  75  -1.150 -11.763   7.552
  581    HA   GLU  75           HA       GLU  75  -0.583 -14.214   6.325
  582    HB2  GLU  75           1HB      GLU  75  -2.779 -12.207   5.834
  583    HB3  GLU  75           2HB      GLU  75  -2.718 -13.770   5.032
  584    HG2  GLU  75           1HG      GLU  75  -2.761 -13.407   8.016
  585    HG3  GLU  75           2HG      GLU  75  -4.191 -13.693   7.027
  586    H    CYS  76           H        CYS  76  -0.752 -10.957   4.882
  587    HA   CYS  76           HA       CYS  76  -0.139 -11.850   2.250
  588    HB2  CYS  76           1HB      CYS  76  -0.035  -9.132   3.545
  589    HB3  CYS  76           2HB      CYS  76   0.424  -9.394   1.868
  590    H    CYS  77           H        CYS  77   1.822 -10.691   4.945
  591    HA   CYS  77           HA       CYS  77   4.268 -10.491   3.560
  592    HB2  CYS  77           1HB      CYS  77   3.761 -11.133   6.473
  593    HB3  CYS  77           2HB      CYS  77   5.318 -10.671   5.795
  594    HG   CYS  77           HG       CYS  77   2.546  -8.732   6.214
  595    H    ARG  78           H        ARG  78   2.733 -13.170   5.283
  596    HA   ARG  78           HA       ARG  78   4.832 -15.025   4.983
  597    HB2  ARG  78           1HB      ARG  78   3.042 -15.391   6.582
  598    HB3  ARG  78           2HB      ARG  78   1.856 -15.463   5.288
  599    HG2  ARG  78           1HG      ARG  78   2.533 -17.671   6.279
  600    HG3  ARG  78           2HG      ARG  78   2.665 -17.545   4.524
  601    HD2  ARG  78           1HD      ARG  78   5.007 -17.318   4.619
  602    HD3  ARG  78           2HD      ARG  78   4.991 -17.044   6.362
  603    HE   ARG  78           HE       ARG  78   3.919 -19.554   6.003
  604   HH11  ARG  78          2HH1      ARG  78   6.923 -17.964   5.183
  605   HH12  ARG  78          1HH1      ARG  78   7.890 -19.397   5.340
  606   HH21  ARG  78          2HH2      ARG  78   5.193 -21.455   6.247
  607   HH22  ARG  78          1HH2      ARG  78   6.905 -21.386   5.931
  608    H    LEU  79           H        LEU  79   2.027 -14.280   2.959
  609    HA   LEU  79           HA       LEU  79   2.556 -16.320   1.047
  610    HB2  LEU  79           1HB      LEU  79   0.968 -13.773   0.746
  611    HB3  LEU  79           2HB      LEU  79   0.932 -15.132  -0.360
  612    HG   LEU  79           HG       LEU  79  -0.046 -15.101   2.493
  613   HD11  LEU  79          1HD1      LEU  79  -1.591 -15.626  -0.030
  614   HD12  LEU  79          2HD1      LEU  79  -2.217 -15.348   1.595
  615   HD13  LEU  79          3HD1      LEU  79  -1.455 -14.029   0.704
  616   HD21  LEU  79          3HD2      LEU  79   0.285 -17.363   0.543
  617   HD22  LEU  79          1HD2      LEU  79   0.890 -17.240   2.198
  618   HD23  LEU  79          2HD2      LEU  79  -0.841 -17.433   1.899
  619    H    GLY  80           H        GLY  80   3.570 -12.989   1.418
  620    HA2  GLY  80           2HA      GLY  80   5.728 -12.364   0.571
  621    HA3  GLY  80           1HA      GLY  80   5.457 -13.426  -0.800
  622    H    LYS  81           H        LYS  81   2.830 -11.436   0.188
  623    HA   LYS  81           HA       LYS  81   2.671 -10.105  -2.275
  624    HB2  LYS  81           1HB      LYS  81   1.312  -9.865   0.370
  625    HB3  LYS  81           2HB      LYS  81   1.036  -8.640  -0.857
  626    HG2  LYS  81           1HG      LYS  81  -0.703 -10.262  -0.967
  627    HG3  LYS  81           2HG      LYS  81   0.304 -10.401  -2.398
  628    HD2  LYS  81           1HD      LYS  81   1.006 -12.153  -0.140
  629    HD3  LYS  81           2HD      LYS  81  -0.521 -12.500  -0.951
  630    HE2  LYS  81           1HE      LYS  81   2.205 -12.319  -2.229
  631    HE3  LYS  81           2HE      LYS  81   1.262 -13.785  -1.970
  632    HZ1  LYS  81           3HZ      LYS  81  -0.366 -12.045  -3.384
  633    HZ2  LYS  81           1HZ      LYS  81   0.378 -13.457  -3.957
  634    HZ3  LYS  81           2HZ      LYS  81   1.159 -11.959  -4.128
  635    H    ASP  82           H        ASP  82   4.321  -9.362   0.666
  636    HA   ASP  82           HA       ASP  82   4.571  -6.561   0.290
  637    HB2  ASP  82           1HB      ASP  82   6.400  -6.688   1.929
  638    HB3  ASP  82           2HB      ASP  82   4.973  -7.551   2.480
  639    H    LYS  83           H        LYS  83   6.591  -9.323  -0.615
  640    HA   LYS  83           HA       LYS  83   8.500  -7.601  -1.950
  641    HB2  LYS  83           1HB      LYS  83   9.673  -9.669  -2.543
  642    HB3  LYS  83           2HB      LYS  83   9.323  -9.602  -0.823
  643    HG2  LYS  83           1HG      LYS  83   7.431 -11.112  -1.152
  644    HG3  LYS  83           2HG      LYS  83   7.792 -11.180  -2.877
  645    HD2  LYS  83           1HD      LYS  83   8.690 -13.134  -1.753
  646    HD3  LYS  83           2HD      LYS  83  10.004 -12.123  -2.362
  647    HE2  LYS  83           1HE      LYS  83  10.316 -11.179  -0.132
  648    HE3  LYS  83           2HE      LYS  83   8.989 -12.167   0.479
  649    HZ1  LYS  83           3HZ      LYS  83  11.176 -13.115   0.968
  650    HZ2  LYS  83           1HZ      LYS  83  11.499 -13.234  -0.695
  651    HZ3  LYS  83           2HZ      LYS  83  10.246 -14.145  -0.009
  652    H    ASP  84           H        ASP  84   5.519  -8.873  -2.708
  653    HA   ASP  84           HA       ASP  84   5.783  -9.574  -5.425
  654    HB2  ASP  84           1HB      ASP  84   3.565  -8.829  -3.625
  655    HB3  ASP  84           2HB      ASP  84   3.286  -8.477  -5.325
  656    H    GLY  85           H        GLY  85   4.976  -6.482  -3.865
  657    HA2  GLY  85           2HA      GLY  85   6.569  -4.802  -5.069
  658    HA3  GLY  85           1HA      GLY  85   5.474  -5.113  -6.403
  659    H    CYS  86           H        CYS  86   4.598  -3.219  -6.635
  660    HA   CYS  86           HA       CYS  86   3.869  -1.419  -4.602
  661    HB2  CYS  86           1HB      CYS  86   4.484  -0.879  -6.950
  662    HB3  CYS  86           2HB      CYS  86   2.960  -1.568  -7.479
  663    HA   PRO  87           HA       PRO  87  -0.113  -3.309  -3.720
  664    HB2  PRO  87           1HB      PRO  87  -0.511  -2.158  -1.361
  665    HB3  PRO  87           2HB      PRO  87   0.748  -3.383  -1.571
  666    HG2  PRO  87           1HG      PRO  87   1.003  -0.408  -1.442
  667    HG3  PRO  87           2HG      PRO  87   2.039  -1.655  -0.729
  668    HD2  PRO  87           1HD      PRO  87   2.558  -0.313  -3.101
  669    HD3  PRO  87           2HD      PRO  87   3.274  -1.865  -2.625
  670    H    ARG  88           H        ARG  88   0.259  -0.700  -5.290
  671    HA   ARG  88           HA       ARG  88  -1.895   0.990  -4.431
  672    HB2  ARG  88           1HB      ARG  88   0.150   1.006  -6.493
  673    HB3  ARG  88           2HB      ARG  88  -1.412   1.506  -7.129
  674    HG2  ARG  88           1HG      ARG  88  -0.430   2.699  -4.581
  675    HG3  ARG  88           2HG      ARG  88   0.231   3.258  -6.120
  676    HD2  ARG  88           1HD      ARG  88  -1.949   3.857  -6.911
  677    HD3  ARG  88           2HD      ARG  88  -2.710   3.105  -5.513
  678    HE   ARG  88           HE       ARG  88  -1.258   4.948  -4.306
  679   HH11  ARG  88          2HH1      ARG  88  -3.037   5.250  -7.295
  680   HH12  ARG  88          1HH1      ARG  88  -3.599   6.855  -6.950
  681   HH21  ARG  88          2HH2      ARG  88  -2.024   7.068  -3.826
  682   HH22  ARG  88          1HH2      ARG  88  -3.020   7.887  -4.995
  683    H    ILE  89           H        ILE  89  -3.983   0.665  -4.777
  684    HA   ILE  89           HA       ILE  89  -4.791  -1.740  -6.047
  685    HB   ILE  89           HB       ILE  89  -6.357   0.479  -4.743
  686   HG12  ILE  89          1HG1      ILE  89  -4.927  -0.981  -3.316
  687   HG13  ILE  89          2HG1      ILE  89  -6.644  -1.107  -2.941
  688   HG21  ILE  89          1HG2      ILE  89  -8.215  -0.270  -5.691
  689   HG22  ILE  89          2HG2      ILE  89  -7.329  -1.554  -6.515
  690   HG23  ILE  89          3HG2      ILE  89  -7.957  -1.819  -4.888
  691   HD11  ILE  89          3HD1      ILE  89  -4.801  -3.100  -4.107
  692   HD12  ILE  89          1HD1      ILE  89  -6.119  -3.307  -2.951
  693   HD13  ILE  89          2HD1      ILE  89  -6.472  -3.112  -4.668
  694    H    LEU  90           H        LEU  90  -4.906  -1.965  -8.156
  695    HA   LEU  90           HA       LEU  90  -5.902   0.171  -9.876
  696    HB2  LEU  90           1HB      LEU  90  -5.242  -2.692 -10.600
  697    HB3  LEU  90           2HB      LEU  90  -5.547  -1.374 -11.715
  698    HG   LEU  90           HG       LEU  90  -3.179  -1.584  -9.853
  699   HD11  LEU  90          1HD1      LEU  90  -3.097  -3.180 -11.700
  700   HD12  LEU  90          2HD1      LEU  90  -3.367  -1.867 -12.846
  701   HD13  LEU  90          3HD1      LEU  90  -1.888  -1.910 -11.890
  702   HD21  LEU  90          3HD2      LEU  90  -2.400   0.324 -11.423
  703   HD22  LEU  90          1HD2      LEU  90  -4.124   0.547 -11.723
  704   HD23  LEU  90          2HD2      LEU  90  -3.488   0.699 -10.085
  705    H    ASN  91           H        ASN  91  -6.883  -2.684  -8.210
  706    HA   ASN  91           HA       ASN  91  -9.389  -3.186  -9.426
  707    HB2  ASN  91           1HB      ASN  91  -7.988  -4.577  -7.712
  708    HB3  ASN  91           2HB      ASN  91  -8.827  -3.625  -6.495
  709   HD21  ASN  91          1HD2      ASN  91  -8.890  -6.412  -8.286
  710   HD22  ASN  91          2HD2      ASN  91 -10.561  -6.823  -8.123
  711    H    LEU  92           H        LEU  92 -10.841  -3.044  -6.751
  712    HA   LEU  92           HA       LEU  92 -11.136  -0.264  -6.140
  713    HB2  LEU  92           1HB      LEU  92 -13.402   0.045  -6.893
  714    HB3  LEU  92           2HB      LEU  92 -12.389  -0.378  -8.249
  715    HG   LEU  92           HG       LEU  92 -14.051  -2.476  -6.883
  716   HD11  LEU  92          1HD1      LEU  92 -15.200  -0.245  -7.840
  717   HD12  LEU  92          2HD1      LEU  92 -15.089  -1.193  -9.322
  718   HD13  LEU  92          3HD1      LEU  92 -15.949  -1.842  -7.924
  719   HD21  LEU  92          3HD2      LEU  92 -12.891  -2.150  -9.646
  720   HD22  LEU  92          1HD2      LEU  92 -12.396  -3.309  -8.411
  721   HD23  LEU  92          2HD2      LEU  92 -13.983  -3.449  -9.167
  722    H    GLY  93           H        GLY  93 -14.066  -0.991  -5.340
  723    HA2  GLY  93           2HA      GLY  93 -13.484  -1.728  -2.696
  724    HA3  GLY  93           1HA      GLY  93 -15.080  -1.749  -3.431
  725    H    SER  94           H        SER  94 -14.958  -3.683  -5.296
  726    HA   SER  94           HA       SER  94 -13.704  -6.068  -4.241
  727    HB2  SER  94           1HB      SER  94 -16.728  -5.858  -4.355
  728    HB3  SER  94           2HB      SER  94 -15.810  -7.313  -3.974
  729    HG   SER  94           HG       SER  94 -14.941  -5.409  -2.365
  730    H    ASN  95           H        ASN  95 -13.053  -7.226  -5.917
  731    HA   ASN  95           HA       ASN  95 -14.572  -8.037  -8.099
  732    HB2  ASN  95           1HB      ASN  95 -14.261  -5.512  -8.625
  733    HB3  ASN  95           2HB      ASN  95 -12.594  -5.940  -8.993
  734   HD21  ASN  95          1HD2      ASN  95 -15.572  -5.483 -10.272
  735   HD22  ASN  95          2HD2      ASN  95 -15.409  -6.395 -11.740
  736    H    ARG  96           H        ARG  96 -12.990  -9.375  -6.426
  737    HA   ARG  96           HA       ARG  96 -10.967 -10.490  -8.127
  738    HB2  ARG  96           1HB      ARG  96  -9.206 -10.146  -6.211
  739    HB3  ARG  96           2HB      ARG  96  -9.461  -8.896  -7.420
  740    HG2  ARG  96           1HG      ARG  96  -9.357  -7.763  -5.374
  741    HG3  ARG  96           2HG      ARG  96 -11.074  -7.834  -5.769
  742    HD2  ARG  96           1HD      ARG  96 -10.948  -8.385  -3.497
  743    HD3  ARG  96           2HD      ARG  96 -11.157  -9.922  -4.340
  744    HE   ARG  96           HE       ARG  96  -9.076 -10.569  -3.631
  745   HH11  ARG  96          2HH1      ARG  96  -9.465  -7.135  -3.043
  746   HH12  ARG  96          1HH1      ARG  96  -7.917  -6.962  -2.276
  747   HH21  ARG  96          2HH2      ARG  96  -7.042 -10.353  -2.611
  748   HH22  ARG  96          1HH2      ARG  96  -6.530  -8.789  -2.045
  749    H    LEU  97           H        LEU  97  -9.557 -11.468  -5.607
  750    HA   LEU  97           HA       LEU  97  -9.620 -13.233  -4.192
  751    HB2  LEU  97           1HB      LEU  97 -12.593 -12.727  -4.262
  752    HB3  LEU  97           2HB      LEU  97 -11.854 -13.975  -3.276
  753    HG   LEU  97           HG       LEU  97 -11.262 -11.022  -3.031
  754   HD11  LEU  97          1HD1      LEU  97 -13.602 -11.885  -2.391
  755   HD12  LEU  97          2HD1      LEU  97 -12.776 -12.668  -1.045
  756   HD13  LEU  97          3HD1      LEU  97 -12.708 -10.915  -1.221
  757   HD21  LEU  97          3HD2      LEU  97 -10.313 -11.836  -0.812
  758   HD22  LEU  97          1HD2      LEU  97 -10.356 -13.454  -1.514
  759   HD23  LEU  97          2HD2      LEU  97  -9.376 -12.193  -2.262
  760    H    ASP  98           H        ASP  98  -9.641 -13.549  -7.071
  761    HA   ASP  98           HA       ASP  98 -11.183 -15.946  -7.597
  762    HB2  ASP  98           1HB      ASP  98 -10.408 -14.189  -9.344
  763    HB3  ASP  98           2HB      ASP  98  -8.852 -15.008  -9.254
  764    H    ARG  99           H        ARG  99 -10.524 -17.977  -7.255
  765    HA   ARG  99           HA       ARG  99  -7.927 -18.326  -5.961
  766    HB2  ARG  99           1HB      ARG  99 -10.282 -20.206  -6.182
  767    HB3  ARG  99           2HB      ARG  99  -8.800 -20.548  -5.303
  768    HG2  ARG  99           1HG      ARG  99 -10.728 -18.316  -4.683
  769    HG3  ARG  99           2HG      ARG  99 -10.614 -19.847  -3.817
  770    HD2  ARG  99           1HD      ARG  99  -9.423 -18.280  -2.513
  771    HD3  ARG  99           2HD      ARG  99  -8.198 -19.243  -3.337
  772    HE   ARG  99           HE       ARG  99  -8.793 -16.950  -4.866
  773   HH11  ARG  99          2HH1      ARG  99  -7.185 -17.876  -1.892
  774   HH12  ARG  99          1HH1      ARG  99  -6.043 -16.563  -1.955
  775   HH21  ARG  99          2HH2      ARG  99  -7.304 -15.229  -4.948
  776   HH22  ARG  99          1HH2      ARG  99  -6.121 -15.045  -3.688
  777    H    HIS 100           H        HIS 100  -9.460 -18.906  -8.951
  778    HA   HIS 100           HA       HIS 100  -7.139 -20.506  -9.772
  779    HB2  HIS 100           1HB      HIS 100  -8.562 -21.714 -11.409
  780    HB3  HIS 100           2HB      HIS 100  -8.987 -22.057  -9.740
  781    HD1  HIS 100           HD1      HIS 100 -11.231 -20.854  -8.859
  782    HD2  HIS 100           HD2      HIS 100 -10.614 -20.832 -12.972
  783    HE1  HIS 100           HE1      HIS 100 -13.456 -20.266  -9.876
  784    HE2  HIS 100           HE2      HIS 100 -13.104 -20.464 -12.366
  785    H    PHE 101           H        PHE 101  -7.031 -17.846  -9.906
  786    HA   PHE 101           HA       PHE 101  -7.993 -16.725 -12.323
  787    HB2  PHE 101           1HB      PHE 101  -7.277 -15.313 -10.447
  788    HB3  PHE 101           2HB      PHE 101  -5.624 -15.894 -10.628
  789    HD1  PHE 101           HD2      PHE 101  -8.093 -14.794 -13.200
  790    HD2  PHE 101           HD1      PHE 101  -4.368 -14.073 -11.277
  791    HE1  PHE 101           HE2      PHE 101  -7.636 -12.964 -14.780
  792    HE2  PHE 101           HE1      PHE 101  -3.903 -12.243 -12.852
  793    HZ   PHE 101           HZ       PHE 101  -5.540 -11.684 -14.603
  794    H    GLU 102           H        GLU 102  -7.425 -17.282 -14.278
  795    HA   GLU 102           HA       GLU 102  -4.728 -17.528 -15.144
  796    HB2  GLU 102           1HB      GLU 102  -5.490 -19.802 -13.952
  797    HB3  GLU 102           2HB      GLU 102  -6.230 -20.085 -15.520
  798    HG2  GLU 102           1HG      GLU 102  -3.319 -19.432 -15.140
  799    HG3  GLU 102           2HG      GLU 102  -3.958 -21.069 -15.220
  800    H    LYS 103           H        LYS 103  -6.217 -15.799 -16.132
  801    HA   LYS 103           HA       LYS 103  -7.740 -16.925 -18.376
  802    HB2  LYS 103           1HB      LYS 103  -7.972 -14.166 -17.158
  803    HB3  LYS 103           2HB      LYS 103  -9.022 -14.862 -18.387
  804    HG2  LYS 103           1HG      LYS 103  -9.675 -16.613 -16.737
  805    HG3  LYS 103           2HG      LYS 103  -8.760 -15.728 -15.517
  806    HD2  LYS 103           1HD      LYS 103 -11.048 -15.095 -15.304
  807    HD3  LYS 103           2HD      LYS 103 -10.185 -13.732 -16.019
  808    HE2  LYS 103           1HE      LYS 103 -12.338 -14.121 -17.123
  809    HE3  LYS 103           2HE      LYS 103 -10.985 -14.363 -18.229
  810    HZ1  LYS 103           3HZ      LYS 103 -11.685 -16.409 -18.620
  811    HZ2  LYS 103           1HZ      LYS 103 -13.025 -16.158 -17.609
  812    HZ3  LYS 103           2HZ      LYS 103 -11.595 -16.806 -16.976
  813    H    LYS 104           H        LYS 104  -5.700 -17.201 -19.470
  814    HA   LYS 104           HA       LYS 104  -4.279 -16.660 -21.152
  815    HB2  LYS 104           1HB      LYS 104  -5.684 -14.002 -21.014
  816    HB3  LYS 104           2HB      LYS 104  -4.270 -14.236 -22.031
  817    HG2  LYS 104           1HG      LYS 104  -6.185 -14.512 -23.400
  818    HG3  LYS 104           2HG      LYS 104  -5.490 -16.112 -23.151
  819    HD2  LYS 104           1HD      LYS 104  -7.161 -16.601 -21.457
  820    HD3  LYS 104           2HD      LYS 104  -7.832 -14.979 -21.626
  821    HE2  LYS 104           1HE      LYS 104  -7.721 -17.048 -23.815
  822    HE3  LYS 104           2HE      LYS 104  -9.139 -16.692 -22.832
  823    HZ1  LYS 104           3HZ      LYS 104  -7.872 -15.063 -24.925
  824    HZ2  LYS 104           1HZ      LYS 104  -8.738 -14.288 -23.686
  825    HZ3  LYS 104           2HZ      LYS 104  -9.508 -15.422 -24.691
  826    H    LYS 105           H        LYS 105  -4.496 -14.336 -18.512
  827    HA   LYS 105           HA       LYS 105  -1.583 -14.506 -18.236
  828    HB2  LYS 105           1HB      LYS 105  -1.491 -12.118 -17.631
  829    HB3  LYS 105           2HB      LYS 105  -2.025 -12.362 -19.285
  830    HG2  LYS 105           1HG      LYS 105  -4.379 -12.089 -18.463
  831    HG3  LYS 105           2HG      LYS 105  -3.699 -11.598 -16.909
  832    HD2  LYS 105           1HD      LYS 105  -2.464  -9.794 -18.057
  833    HD3  LYS 105           2HD      LYS 105  -3.231 -10.263 -19.574
  834    HE2  LYS 105           1HE      LYS 105  -4.453  -8.418 -18.719
  835    HE3  LYS 105           2HE      LYS 105  -5.443  -9.854 -18.468
  836    HZ1  LYS 105           3HZ      LYS 105  -4.713  -8.003 -16.575
  837    HZ2  LYS 105           1HZ      LYS 105  -3.754  -9.358 -16.230
  838    HZ3  LYS 105           2HZ      LYS 105  -5.444  -9.509 -16.292
  839    H    LYS 106           H        LYS 106  -0.806 -14.235 -16.103
  840    HA   LYS 106           HA       LYS 106  -2.740 -14.201 -13.921
  841    HB2  LYS 106           1HB      LYS 106  -2.804 -16.521 -14.436
  842    HB3  LYS 106           2HB      LYS 106  -1.067 -16.593 -14.687
  843    HG2  LYS 106           1HG      LYS 106  -0.735 -16.199 -12.274
  844    HG3  LYS 106           2HG      LYS 106  -2.487 -16.231 -12.056
  845    HD2  LYS 106           1HD      LYS 106  -2.601 -18.509 -12.793
  846    HD3  LYS 106           2HD      LYS 106  -0.901 -18.494 -13.262
  847    HE2  LYS 106           1HE      LYS 106  -1.907 -18.140 -10.440
  848    HE3  LYS 106           2HE      LYS 106  -1.337 -19.665 -11.116
  849    HZ1  LYS 106           3HZ      LYS 106   0.594 -17.673 -11.586
  850    HZ2  LYS 106           1HZ      LYS 106   0.734 -19.078 -10.649
  851    HZ3  LYS 106           2HZ      LYS 106   0.177 -17.642  -9.944
  852    H    VAL 107           H        VAL 107  -1.897 -13.279 -12.145
  853    HA   VAL 107           HA       VAL 107   0.888 -12.437 -12.211
  854    HB   VAL 107           HB       VAL 107  -1.231 -11.781 -10.153
  855   HG11  VAL 107          1HG1      VAL 107   1.230 -10.179 -10.747
  856   HG12  VAL 107          2HG1      VAL 107   0.217 -10.168  -9.304
  857   HG13  VAL 107          3HG1      VAL 107   1.278 -11.539  -9.626
  858   HG21  VAL 107          3HG2      VAL 107  -0.516 -10.486 -12.754
  859   HG22  VAL 107          1HG2      VAL 107  -2.108 -10.833 -12.079
  860   HG23  VAL 107          2HG2      VAL 107  -1.137  -9.517 -11.418
  Start of MODEL    9
    1    H1   GLY  -1           1H       GLY  -1 -13.814  13.118  -9.953
    2    H2   GLY  -1           2H       GLY  -1 -14.937  11.923  -9.531
    3    H3   GLY  -1           3H       GLY  -1 -15.142  12.799 -10.965
    4    HA2  GLY  -1           1HA      GLY  -1 -14.191  11.012 -11.910
    5    HA3  GLY  -1           2HA      GLY  -1 -12.713  11.815 -11.389
    6    H    GLY   0           H        GLY   0 -13.862   8.907 -11.607
    7    HA2  GLY   0           2HA      GLY   0 -12.224   7.657  -9.746
    8    HA3  GLY   0           1HA      GLY   0 -13.784   7.870  -8.961
    9    H    SER   1           H        SER   1 -12.555   6.873 -12.149
   10    HA   SER   1           HA       SER   1 -13.116   5.187 -13.545
   11    HB2  SER   1           1HB      SER   1 -14.167   3.831 -11.045
   12    HB3  SER   1           2HB      SER   1 -13.857   3.044 -12.591
   13    HG   SER   1           HG       SER   1 -12.111   2.740 -11.172
   14    H    SER   2           H        SER   2 -15.668   3.538 -12.554
   15    HA   SER   2           HA       SER   2 -17.782   5.437 -12.868
   16    HB2  SER   2           1HB      SER   2 -17.230   3.476 -15.112
   17    HB3  SER   2           2HB      SER   2 -18.733   4.376 -14.929
   18    HG   SER   2           HG       SER   2 -16.636   6.055 -14.779
   19    H    ARG   3           H        ARG   3 -19.676   4.648 -12.099
   20    HA   ARG   3           HA       ARG   3 -21.150   3.315 -11.029
   21    HB2  ARG   3           1HB      ARG   3 -19.630   1.013 -12.267
   22    HB3  ARG   3           2HB      ARG   3 -21.206   0.908 -11.494
   23    HG2  ARG   3           1HG      ARG   3 -22.149   2.380 -13.198
   24    HG3  ARG   3           2HG      ARG   3 -20.570   2.494 -13.974
   25    HD2  ARG   3           1HD      ARG   3 -20.601   0.061 -14.351
   26    HD3  ARG   3           2HD      ARG   3 -22.205  -0.017 -13.621
   27    HE   ARG   3           HE       ARG   3 -23.101   0.754 -15.575
   28   HH11  ARG   3          2HH1      ARG   3 -19.629   1.260 -15.670
   29   HH12  ARG   3          1HH1      ARG   3 -19.647   1.932 -17.276
   30   HH21  ARG   3          2HH2      ARG   3 -23.122   1.618 -17.693
   31   HH22  ARG   3          1HH2      ARG   3 -21.626   2.141 -18.421
   32    H    HIS   4           H        HIS   4 -18.485   0.993 -10.767
   33    HA   HIS   4           HA       HIS   4 -18.467   1.470  -7.859
   34    HB2  HIS   4           1HB      HIS   4 -17.341  -0.848  -9.457
   35    HB3  HIS   4           2HB      HIS   4 -17.207  -0.667  -7.712
   36    HD1  HIS   4           HD1      HIS   4 -18.459  -3.173  -8.251
   37    HD2  HIS   4           HD2      HIS   4 -20.713   0.324  -8.411
   38    HE1  HIS   4           HE1      HIS   4 -20.852  -3.891  -7.983
   39    HE2  HIS   4           HE2      HIS   4 -22.205  -1.788  -8.284
   40    H    GLN   5           H        GLN   5 -15.738   0.119  -7.870
   41    HA   GLN   5           HA       GLN   5 -14.187   2.518  -8.488
   42    HB2  GLN   5           1HB      GLN   5 -12.424   1.629  -7.216
   43    HB3  GLN   5           2HB      GLN   5 -13.863   1.155  -6.330
   44    HG2  GLN   5           1HG      GLN   5 -13.732  -1.078  -7.241
   45    HG3  GLN   5           2HG      GLN   5 -12.345  -0.621  -8.229
   46   HE21  GLN   5          1HE2      GLN   5 -12.146   0.957  -5.311
   47   HE22  GLN   5          2HE2      GLN   5 -11.104  -0.147  -4.479
   48    H    PHE   6           H        PHE   6 -15.209  -0.330  -9.867
   49    HA   PHE   6           HA       PHE   6 -14.890  -1.234 -11.936
   50    HB2  PHE   6           1HB      PHE   6 -14.178   1.010 -12.695
   51    HB3  PHE   6           2HB      PHE   6 -12.536   0.644 -12.206
   52    HD1  PHE   6           HD1      PHE   6 -15.093  -1.307 -14.102
   53    HD2  PHE   6           HD2      PHE   6 -11.217   0.450 -14.054
   54    HE1  PHE   6           HE1      PHE   6 -14.635  -2.271 -16.320
   55    HE2  PHE   6           HE2      PHE   6 -10.755  -0.508 -16.274
   56    HZ   PHE   6           HZ       PHE   6 -12.464  -1.867 -17.408
   57    H    ASP   7           H        ASP   7 -13.678  -1.894  -9.364
   58    HA   ASP   7           HA       ASP   7 -12.236  -3.383  -8.394
   59    HB2  ASP   7           1HB      ASP   7 -12.974  -4.696 -10.999
   60    HB3  ASP   7           2HB      ASP   7 -11.963  -5.517  -9.812
   61    H    LEU   8           H        LEU   8 -10.675  -1.425  -9.095
   62    HA   LEU   8           HA       LEU   8  -8.836  -1.796 -11.113
   63    HB2  LEU   8           1HB      LEU   8  -8.440  -0.330  -8.538
   64    HB3  LEU   8           2HB      LEU   8  -7.424  -0.188  -9.962
   65    HG   LEU   8           HG       LEU   8 -10.109   0.936  -9.435
   66   HD11  LEU   8          1HD1      LEU   8  -8.389   2.473  -9.410
   67   HD12  LEU   8          2HD1      LEU   8  -7.572   1.703 -10.773
   68   HD13  LEU   8          3HD1      LEU   8  -9.047   2.628 -11.041
   69   HD21  LEU   8          3HD2      LEU   8 -10.477   1.183 -11.901
   70   HD22  LEU   8          1HD2      LEU   8  -9.240  -0.047 -12.147
   71   HD23  LEU   8          2HD2      LEU   8 -10.724  -0.448 -11.277
   72    H    ILE   9           H        ILE   9  -6.866  -2.583 -11.290
   73    HA   ILE   9           HA       ILE   9  -6.467  -4.951  -9.674
   74    HB   ILE   9           HB       ILE   9  -5.515  -4.250 -12.462
   75   HG12  ILE   9          1HG1      ILE   9  -7.308  -6.009 -13.078
   76   HG13  ILE   9          2HG1      ILE   9  -7.960  -5.691 -11.473
   77   HG21  ILE   9          1HG2      ILE   9  -5.706  -7.020 -12.175
   78   HG22  ILE   9          2HG2      ILE   9  -4.258  -6.028 -12.394
   79   HG23  ILE   9          3HG2      ILE   9  -4.820  -6.424 -10.769
   80   HD11  ILE   9          3HD1      ILE   9  -7.590  -3.672 -13.672
   81   HD12  ILE   9          1HD1      ILE   9  -9.117  -4.382 -13.138
   82   HD13  ILE   9          2HD1      ILE   9  -8.203  -3.330 -12.051
   83    H    MET  10           H        MET  10  -5.438  -2.837  -8.462
   84    HA   MET  10           HA       MET  10  -3.591  -1.741  -7.677
   85    HB2  MET  10           1HB      MET  10  -1.758  -3.920  -7.553
   86    HB3  MET  10           2HB      MET  10  -2.635  -3.133  -6.256
   87    HG2  MET  10           1HG      MET  10  -4.560  -4.628  -6.740
   88    HG3  MET  10           2HG      MET  10  -3.541  -5.472  -7.903
   89    HE1  MET  10           3HE      MET  10  -3.570  -4.001  -4.442
   90    HE2  MET  10           1HE      MET  10  -2.917  -5.249  -3.379
   91    HE3  MET  10           2HE      MET  10  -1.825  -4.246  -4.337
   92    H    CYS  11           H        CYS  11  -0.982  -1.983  -7.758
   93    HA   CYS  11           HA       CYS  11  -0.339  -1.228 -10.509
   94    HB2  CYS  11           1HB      CYS  11  -0.193   0.399  -8.561
   95    HB3  CYS  11           2HB      CYS  11   1.145  -0.569  -7.961
   96    H    LEU  12           H        LEU  12   1.093  -2.683  -7.652
   97    HA   LEU  12           HA       LEU  12   2.742  -4.183  -7.290
   98    HB2  LEU  12           1HB      LEU  12   1.315  -5.526  -9.574
   99    HB3  LEU  12           2HB      LEU  12   2.309  -6.322  -8.365
  100    HG   LEU  12           HG       LEU  12  -0.319  -4.914  -7.896
  101   HD11  LEU  12          1HD1      LEU  12  -1.305  -6.921  -7.787
  102   HD12  LEU  12          2HD1      LEU  12   0.041  -7.404  -8.824
  103   HD13  LEU  12          3HD1      LEU  12   0.119  -7.702  -7.084
  104   HD21  LEU  12          3HD2      LEU  12   0.927  -4.432  -5.971
  105   HD22  LEU  12          1HD2      LEU  12  -0.016  -5.863  -5.555
  106   HD23  LEU  12          2HD2      LEU  12   1.694  -6.021  -5.965
  107    H    LYS  13           H        LYS  13   3.620  -2.119  -9.043
  108    HA   LYS  13           HA       LYS  13   5.518  -3.459 -10.810
  109    HB2  LYS  13           1HB      LYS  13   5.356  -0.519 -10.111
  110    HB3  LYS  13           2HB      LYS  13   6.244  -1.247 -11.440
  111    HG2  LYS  13           1HG      LYS  13   4.131  -1.950 -12.462
  112    HG3  LYS  13           2HG      LYS  13   3.249  -1.177 -11.148
  113    HD2  LYS  13           1HD      LYS  13   3.328   0.223 -13.173
  114    HD3  LYS  13           2HD      LYS  13   4.117   0.992 -11.799
  115    HE2  LYS  13           1HE      LYS  13   6.240   0.624 -12.654
  116    HE3  LYS  13           2HE      LYS  13   5.692  -0.621 -13.766
  117    HZ1  LYS  13           3HZ      LYS  13   5.575   0.932 -15.320
  118    HZ2  LYS  13           1HZ      LYS  13   5.948   2.155 -14.210
  119    HZ3  LYS  13           2HZ      LYS  13   4.336   1.699 -14.453
  120    H    GLN  14           H        GLN  14   7.871  -2.336 -10.427
  121    HA   GLN  14           HA       GLN  14   8.756  -3.422  -7.976
  122    HB2  GLN  14           1HB      GLN  14  10.066  -1.812 -10.147
  123    HB3  GLN  14           2HB      GLN  14  10.932  -2.281  -8.700
  124    HG2  GLN  14           1HG      GLN  14   9.630  -4.143 -10.662
  125    HG3  GLN  14           2HG      GLN  14  11.362  -3.841 -10.498
  126   HE21  GLN  14          1HE2      GLN  14   8.928  -5.906  -9.709
  127   HE22  GLN  14          2HE2      GLN  14   9.650  -6.688  -8.339
  128    HA   PRO  15           HA       PRO  15   7.745   0.178  -5.552
  129    HB2  PRO  15           1HB      PRO  15   8.862  -1.323  -3.320
  130    HB3  PRO  15           2HB      PRO  15   7.197  -0.814  -3.601
  131    HG2  PRO  15           1HG      PRO  15   7.972  -3.402  -3.732
  132    HG3  PRO  15           2HG      PRO  15   6.651  -2.743  -4.715
  133    HD2  PRO  15           1HD      PRO  15   9.484  -3.326  -5.483
  134    HD3  PRO  15           2HD      PRO  15   7.987  -3.590  -6.405
  135    H    GLY  16           H        GLY  16   8.825   1.904  -4.762
  136    HA2  GLY  16           2HA      GLY  16  11.743   1.846  -4.900
  137    HA3  GLY  16           1HA      GLY  16  10.735   3.278  -4.747
  138    H    VAL  17           H        VAL  17  11.395   4.244  -2.933
  139    HA   VAL  17           HA       VAL  17  11.732   2.597  -0.524
  140    HB   VAL  17           HB       VAL  17  12.942   4.521   0.452
  141   HG11  VAL  17          1HG1      VAL  17  13.982   3.499  -2.185
  142   HG12  VAL  17          2HG1      VAL  17  14.960   4.337  -0.983
  143   HG13  VAL  17          3HG1      VAL  17  14.228   2.781  -0.593
  144   HG21  VAL  17          3HG2      VAL  17  12.629   6.543  -0.432
  145   HG22  VAL  17          1HG2      VAL  17  13.670   6.040  -1.762
  146   HG23  VAL  17          2HG2      VAL  17  11.921   5.865  -1.897
  147    H    GLN  18           H        GLN  18   9.864   5.152  -1.929
  148    HA   GLN  18           HA       GLN  18   8.848   6.315   0.406
  149    HB2  GLN  18           1HB      GLN  18   7.625   6.159  -2.355
  150    HB3  GLN  18           2HB      GLN  18   7.037   7.195  -1.063
  151    HG2  GLN  18           1HG      GLN  18   8.328   8.694  -2.165
  152    HG3  GLN  18           2HG      GLN  18   9.549   8.028  -1.087
  153   HE21  GLN  18          1HE2      GLN  18   9.459   9.211  -3.916
  154   HE22  GLN  18          2HE2      GLN  18  10.424   8.099  -4.836
  155    H    THR  19           H        THR  19   7.283   5.806   1.766
  156    HA   THR  19           HA       THR  19   6.091   3.183   1.581
  157    HB   THR  19           HB       THR  19   5.611   5.249   3.729
  158    HG1  THR  19           HG1      THR  19   7.937   4.590   3.120
  159   HG21  THR  19          1HG2      THR  19   4.154   3.391   3.971
  160   HG22  THR  19          2HG2      THR  19   5.467   3.133   5.120
  161   HG23  THR  19          3HG2      THR  19   5.439   2.243   3.596
  162    H    GLY  20           H        GLY  20   3.932   2.703   1.333
  163    HA2  GLY  20           2HA      GLY  20   2.350   4.628  -0.093
  164    HA3  GLY  20           1HA      GLY  20   1.872   2.990   0.321
  165    H    LEU  21           H        LEU  21   0.734   5.888   0.583
  166    HA   LEU  21           HA       LEU  21   0.143   5.927   3.437
  167    HB2  LEU  21           1HB      LEU  21  -0.329   7.901   1.218
  168    HB3  LEU  21           2HB      LEU  21  -1.012   8.104   2.819
  169    HG   LEU  21           HG       LEU  21   1.942   7.929   2.215
  170   HD11  LEU  21          1HD1      LEU  21   0.956  10.413   3.315
  171   HD12  LEU  21          2HD1      LEU  21   1.970  10.128   1.899
  172   HD13  LEU  21          3HD1      LEU  21   0.213  10.046   1.759
  173   HD21  LEU  21          3HD2      LEU  21   2.166   8.702   4.550
  174   HD22  LEU  21          1HD2      LEU  21   0.423   8.513   4.753
  175   HD23  LEU  21          2HD2      LEU  21   1.430   7.104   4.425
  176    H    LEU  22           H        LEU  22  -1.849   5.794   4.321
  177    HA   LEU  22           HA       LEU  22  -4.071   4.950   2.572
  178    HB2  LEU  22           1HB      LEU  22  -3.569   4.297   5.480
  179    HB3  LEU  22           2HB      LEU  22  -5.013   3.855   4.590
  180    HG   LEU  22           HG       LEU  22  -2.221   2.839   4.171
  181   HD11  LEU  22          1HD1      LEU  22  -3.214   1.706   5.973
  182   HD12  LEU  22          2HD1      LEU  22  -4.789   1.652   5.182
  183   HD13  LEU  22          3HD1      LEU  22  -3.466   0.650   4.584
  184   HD21  LEU  22          3HD2      LEU  22  -4.007   1.375   2.604
  185   HD22  LEU  22          1HD2      LEU  22  -4.400   3.066   2.302
  186   HD23  LEU  22          2HD2      LEU  22  -2.756   2.483   2.042
  187    H    CYS  23           H        CYS  23  -5.977   5.983   2.771
  188    HA   CYS  23           HA       CYS  23  -6.128   8.432   4.283
  189    HB2  CYS  23           1HB      CYS  23  -8.218   8.778   3.269
  190    HB3  CYS  23           2HB      CYS  23  -7.305   7.930   2.030
  191    H    GLU  24           H        GLU  24  -7.587   8.746   6.055
  192    HA   GLU  24           HA       GLU  24  -7.330   6.929   8.071
  193    HB2  GLU  24           1HB      GLU  24  -9.739   8.718   7.852
  194    HB3  GLU  24           2HB      GLU  24  -8.930   8.172   9.314
  195    HG2  GLU  24           1HG      GLU  24  -6.926   9.478   8.584
  196    HG3  GLU  24           2HG      GLU  24  -7.924  10.140   7.286
  197    H    LYS  25           H        LYS  25  -9.890   7.075   5.692
  198    HA   LYS  25           HA       LYS  25 -11.624   5.283   7.007
  199    HB2  LYS  25           1HB      LYS  25 -11.528   6.078   4.101
  200    HB3  LYS  25           2HB      LYS  25 -12.873   5.264   4.895
  201    HG2  LYS  25           1HG      LYS  25 -13.012   7.215   6.463
  202    HG3  LYS  25           2HG      LYS  25 -11.829   8.033   5.443
  203    HD2  LYS  25           1HD      LYS  25 -14.540   7.047   4.566
  204    HD3  LYS  25           2HD      LYS  25 -14.110   8.721   4.912
  205    HE2  LYS  25           1HE      LYS  25 -12.467   8.663   3.091
  206    HE3  LYS  25           2HE      LYS  25 -12.930   6.999   2.737
  207    HZ1  LYS  25           3HZ      LYS  25 -15.302   8.209   2.658
  208    HZ2  LYS  25           1HZ      LYS  25 -14.318   7.996   1.293
  209    HZ3  LYS  25           2HZ      LYS  25 -14.310   9.476   2.120
  210    H    CYS  26           H        CYS  26  -8.875   4.689   4.929
  211    HA   CYS  26           HA       CYS  26  -9.644   1.847   4.816
  212    HB2  CYS  26           1HB      CYS  26  -7.368   3.163   3.319
  213    HB3  CYS  26           2HB      CYS  26  -7.906   1.498   3.156
  214    H    ASP  27           H        ASP  27  -7.668   4.109   6.382
  215    HA   ASP  27           HA       ASP  27  -5.300   2.849   6.845
  216    HB2  ASP  27           1HB      ASP  27  -5.895   5.144   7.605
  217    HB3  ASP  27           2HB      ASP  27  -6.816   4.434   8.924
  218    H    GLY  28           H        GLY  28  -4.849   0.929   7.532
  219    HA2  GLY  28           2HA      GLY  28  -4.818  -0.506   9.602
  220    HA3  GLY  28           1HA      GLY  28  -6.570  -0.330   9.574
  221    H    LYS  29           H        LYS  29  -6.670  -0.407   6.665
  222    HA   LYS  29           HA       LYS  29  -6.938  -3.230   6.329
  223    HB2  LYS  29           1HB      LYS  29  -7.129  -0.947   4.361
  224    HB3  LYS  29           2HB      LYS  29  -7.509  -2.614   3.973
  225    HG2  LYS  29           1HG      LYS  29  -9.374  -2.632   5.404
  226    HG3  LYS  29           2HG      LYS  29  -8.908  -1.091   6.135
  227    HD2  LYS  29           1HD      LYS  29  -9.387   0.101   4.144
  228    HD3  LYS  29           2HD      LYS  29  -9.535  -1.388   3.209
  229    HE2  LYS  29           1HE      LYS  29 -11.315  -0.925   5.538
  230    HE3  LYS  29           2HE      LYS  29 -11.668  -0.115   4.013
  231    HZ1  LYS  29           3HZ      LYS  29 -12.705  -1.981   3.452
  232    HZ2  LYS  29           1HZ      LYS  29 -12.054  -2.849   4.759
  233    HZ3  LYS  29           2HZ      LYS  29 -11.177  -2.708   3.310
  234    H    CYS  30           H        CYS  30  -5.522  -4.626   5.625
  235    HA   CYS  30           HA       CYS  30  -2.931  -3.917   4.590
  236    HB2  CYS  30           1HB      CYS  30  -3.007  -5.963   5.767
  237    HB3  CYS  30           2HB      CYS  30  -4.490  -6.465   4.967
  238    HA   PRO  31           HA       PRO  31  -4.572  -2.845   0.585
  239    HB2  PRO  31           1HB      PRO  31  -1.787  -3.547  -0.227
  240    HB3  PRO  31           2HB      PRO  31  -2.742  -2.110  -0.608
  241    HG2  PRO  31           1HG      PRO  31  -0.824  -2.011   1.229
  242    HG3  PRO  31           2HG      PRO  31  -2.350  -1.137   1.464
  243    HD2  PRO  31           1HD      PRO  31  -1.384  -3.651   2.740
  244    HD3  PRO  31           2HD      PRO  31  -2.414  -2.367   3.405
  245    H    ILE  32           H        ILE  32  -2.586  -5.720   1.021
  246    HA   ILE  32           HA       ILE  32  -3.171  -6.916  -1.450
  247    HB   ILE  32           HB       ILE  32  -2.348  -8.306   1.097
  248   HG12  ILE  32          1HG1      ILE  32  -0.877  -6.366   0.328
  249   HG13  ILE  32          2HG1      ILE  32  -0.076  -7.921   0.513
  250   HG21  ILE  32          1HG2      ILE  32  -3.220  -9.559  -1.049
  251   HG22  ILE  32          2HG2      ILE  32  -1.583  -9.238  -1.625
  252   HG23  ILE  32          3HG2      ILE  32  -1.832 -10.159  -0.142
  253   HD11  ILE  32          3HD1      ILE  32  -1.092  -7.447  -2.180
  254   HD12  ILE  32          1HD1      ILE  32   0.117  -6.277  -1.652
  255   HD13  ILE  32          2HD1      ILE  32   0.495  -8.003  -1.637
  256    H    CYS  33           H        CYS  33  -4.659  -7.465   1.782
  257    HA   CYS  33           HA       CYS  33  -6.662  -9.114   0.387
  258    HB2  CYS  33           1HB      CYS  33  -6.897 -10.432   2.422
  259    HB3  CYS  33           2HB      CYS  33  -5.231 -10.422   1.864
  260    H    ASP  34           H        ASP  34  -6.382  -6.188   1.882
  261    HA   ASP  34           HA       ASP  34  -7.863  -4.651   2.661
  262    HB2  ASP  34           1HB      ASP  34  -9.059  -5.170   0.576
  263    HB3  ASP  34           2HB      ASP  34  -9.916  -6.476   1.384
  264    H    SER  35           H        SER  35  -7.102  -5.659   4.751
  265    HA   SER  35           HA       SER  35  -9.379  -6.244   6.425
  266    HB2  SER  35           1HB      SER  35  -7.799  -8.343   5.308
  267    HB3  SER  35           2HB      SER  35  -7.464  -8.259   7.035
  268    HG   SER  35           HG       SER  35  -9.724  -9.058   5.713
  269    H    TYR  36           H        TYR  36  -8.985  -5.789   8.573
  270    HA   TYR  36           HA       TYR  36  -6.661  -4.153   9.068
  271    HB2  TYR  36           1HB      TYR  36  -9.018  -4.845  10.838
  272    HB3  TYR  36           2HB      TYR  36  -7.753  -3.699  11.260
  273    HD1  TYR  36           HD1      TYR  36  -9.974  -4.299   8.305
  274    HD2  TYR  36           HD2      TYR  36  -8.382  -1.504  11.082
  275    HE1  TYR  36           HE1      TYR  36 -11.242  -2.507   7.212
  276    HE2  TYR  36           HE2      TYR  36  -9.654   0.301  10.003
  277    HH   TYR  36           HH       TYR  36 -11.388   0.731   8.575
  278    H    VAL  37           H        VAL  37  -6.746  -7.241   8.932
  279    HA   VAL  37           HA       VAL  37  -6.045  -8.292  11.423
  280    HB   VAL  37           HB       VAL  37  -6.707  -9.673   9.494
  281   HG11  VAL  37          1HG1      VAL  37  -5.516  -9.924   7.571
  282   HG12  VAL  37          2HG1      VAL  37  -5.157  -8.239   7.950
  283   HG13  VAL  37          3HG1      VAL  37  -3.982  -9.498   8.332
  284   HG21  VAL  37          3HG2      VAL  37  -4.811 -11.394   9.709
  285   HG22  VAL  37          1HG2      VAL  37  -4.110 -10.258  10.862
  286   HG23  VAL  37          2HG2      VAL  37  -5.707 -10.940  11.158
  287    H    ARG  38           H        ARG  38  -4.069  -8.828  12.314
  288    HA   ARG  38           HA       ARG  38  -2.284  -6.936  12.760
  289    HB2  ARG  38           1HB      ARG  38  -0.625  -8.688  13.406
  290    HB3  ARG  38           2HB      ARG  38  -2.243  -8.952  14.041
  291    HG2  ARG  38           1HG      ARG  38  -2.673 -10.679  12.471
  292    HG3  ARG  38           2HG      ARG  38  -1.214 -10.296  11.555
  293    HD2  ARG  38           1HD      ARG  38  -0.967 -12.309  12.959
  294    HD3  ARG  38           2HD      ARG  38   0.178 -11.038  13.380
  295    HE   ARG  38           HE       ARG  38  -0.724 -10.991  15.460
  296   HH11  ARG  38          2HH1      ARG  38  -3.054 -12.525  13.324
  297   HH12  ARG  38          1HH1      ARG  38  -4.217 -12.795  14.595
  298   HH21  ARG  38          2HH2      ARG  38  -2.233 -11.379  17.116
  299   HH22  ARG  38          1HH2      ARG  38  -3.732 -12.183  16.752
  300    HA   PRO  39           HA       PRO  39   0.052  -6.245   9.045
  301    HB2  PRO  39           1HB      PRO  39   1.713  -4.469  10.638
  302    HB3  PRO  39           2HB      PRO  39   0.564  -4.066   9.362
  303    HG2  PRO  39           1HG      PRO  39   0.141  -3.450  11.967
  304    HG3  PRO  39           2HG      PRO  39  -1.177  -3.795  10.830
  305    HD2  PRO  39           1HD      PRO  39   0.073  -5.583  12.886
  306    HD3  PRO  39           2HD      PRO  39  -1.642  -5.371  12.469
  307    H    LYS  40           H        LYS  40   2.690  -5.509   9.035
  308    HA   LYS  40           HA       LYS  40   4.361  -7.137  10.633
  309    HB2  LYS  40           1HB      LYS  40   3.416  -8.918   9.203
  310    HB3  LYS  40           2HB      LYS  40   3.978  -8.060   7.778
  311    HG2  LYS  40           1HG      LYS  40   5.565  -9.729   8.110
  312    HG3  LYS  40           2HG      LYS  40   6.319  -8.282   8.775
  313    HD2  LYS  40           1HD      LYS  40   4.814 -10.270  10.471
  314    HD3  LYS  40           2HD      LYS  40   6.540 -10.410  10.139
  315    HE2  LYS  40           1HE      LYS  40   5.193  -8.064  11.474
  316    HE3  LYS  40           2HE      LYS  40   6.098  -9.331  12.298
  317    HZ1  LYS  40           3HZ      LYS  40   7.996  -8.299  11.860
  318    HZ2  LYS  40           1HZ      LYS  40   7.095  -6.975  11.300
  319    HZ3  LYS  40           2HZ      LYS  40   7.634  -8.151  10.207
  320    H    ARG  41           H        ARG  41   4.025  -5.491   7.489
  321    HA   ARG  41           HA       ARG  41   6.402  -3.932   8.094
  322    HB2  ARG  41           1HB      ARG  41   7.184  -6.047   6.938
  323    HB3  ARG  41           2HB      ARG  41   6.300  -5.505   5.516
  324    HG2  ARG  41           1HG      ARG  41   7.679  -3.354   5.711
  325    HG3  ARG  41           2HG      ARG  41   8.713  -4.277   6.803
  326    HD2  ARG  41           1HD      ARG  41   8.968  -5.984   4.998
  327    HD3  ARG  41           2HD      ARG  41   8.089  -4.902   3.919
  328    HE   ARG  41           HE       ARG  41  10.827  -4.767   4.554
  329   HH11  ARG  41          2HH1      ARG  41   8.065  -2.648   4.033
  330   HH12  ARG  41          1HH1      ARG  41   9.048  -1.256   3.694
  331   HH21  ARG  41          2HH2      ARG  41  12.104  -2.923   4.056
  332   HH22  ARG  41          1HH2      ARG  41  11.316  -1.415   3.695
  333    H    LYS  42           H        LYS  42   6.464  -1.980   7.071
  334    HA   LYS  42           HA       LYS  42   4.076  -0.925   6.015
  335    HB2  LYS  42           1HB      LYS  42   6.910   0.094   6.021
  336    HB3  LYS  42           2HB      LYS  42   5.589   1.010   5.311
  337    HG2  LYS  42           1HG      LYS  42   4.437   0.828   7.555
  338    HG3  LYS  42           2HG      LYS  42   5.977   0.239   8.184
  339    HD2  LYS  42           1HD      LYS  42   7.078   2.283   7.566
  340    HD3  LYS  42           2HD      LYS  42   5.635   2.858   6.728
  341    HE2  LYS  42           1HE      LYS  42   4.425   2.800   8.903
  342    HE3  LYS  42           2HE      LYS  42   5.949   2.392   9.688
  343    HZ1  LYS  42           3HZ      LYS  42   5.709   4.696   9.915
  344    HZ2  LYS  42           1HZ      LYS  42   5.226   4.905   8.301
  345    HZ3  LYS  42           2HZ      LYS  42   6.836   4.503   8.662
  346    H    VAL  43           H        VAL  43   3.440  -0.399   3.977
  347    HA   VAL  43           HA       VAL  43   4.525  -2.014   1.842
  348    HB   VAL  43           HB       VAL  43   2.645  -1.252   0.531
  349   HG11  VAL  43          1HG1      VAL  43   2.046  -3.029   1.939
  350   HG12  VAL  43          2HG1      VAL  43   2.003  -1.994   3.367
  351   HG13  VAL  43          3HG1      VAL  43   0.758  -1.840   2.130
  352   HG21  VAL  43          3HG2      VAL  43   2.159   0.694   2.776
  353   HG22  VAL  43          1HG2      VAL  43   2.578   1.073   1.106
  354   HG23  VAL  43          2HG2      VAL  43   1.008   0.360   1.481
  355    H    ARG  44           H        ARG  44   5.401  -1.217  -0.110
  356    HA   ARG  44           HA       ARG  44   6.202   1.617  -0.024
  357    HB2  ARG  44           1HB      ARG  44   7.761  -0.758  -1.042
  358    HB3  ARG  44           2HB      ARG  44   8.218   0.912  -1.349
  359    HG2  ARG  44           1HG      ARG  44   8.566   1.316   0.975
  360    HG3  ARG  44           2HG      ARG  44   7.888  -0.258   1.400
  361    HD2  ARG  44           1HD      ARG  44  10.397   0.210  -0.202
  362    HD3  ARG  44           2HD      ARG  44  10.333  -0.269   1.493
  363    HE   ARG  44           HE       ARG  44   8.872  -2.096  -0.116
  364   HH11  ARG  44          2HH1      ARG  44  12.133  -1.125   0.688
  365   HH12  ARG  44          1HH1      ARG  44  12.819  -2.704   0.423
  366   HH21  ARG  44          2HH2      ARG  44   9.756  -4.173  -0.515
  367   HH22  ARG  44          1HH2      ARG  44  11.454  -4.448  -0.256
  368    H    VAL  45           H        VAL  45   5.793   2.824  -1.754
  369    HA   VAL  45           HA       VAL  45   4.275   1.606  -3.917
  370    HB   VAL  45           HB       VAL  45   3.912   3.938  -4.702
  371   HG11  VAL  45          1HG1      VAL  45   2.395   2.735  -3.108
  372   HG12  VAL  45          2HG1      VAL  45   3.181   3.619  -1.800
  373   HG13  VAL  45          3HG1      VAL  45   2.300   4.493  -3.052
  374   HG21  VAL  45          3HG2      VAL  45   5.568   4.589  -2.277
  375   HG22  VAL  45          1HG2      VAL  45   5.813   5.110  -3.944
  376   HG23  VAL  45          2HG2      VAL  45   4.459   5.750  -3.010
  377    H    CYS  46           H        CYS  46   4.862   1.679  -6.061
  378    HA   CYS  46           HA       CYS  46   7.610   1.430  -6.604
  379    HB2  CYS  46           1HB      CYS  46   7.016   0.939  -8.823
  380    HB3  CYS  46           2HB      CYS  46   5.641   0.378  -7.877
  381    H    GLU  47           H        GLU  47   8.954   2.677  -7.891
  382    HA   GLU  47           HA       GLU  47   9.119   5.373  -7.339
  383    HB2  GLU  47           1HB      GLU  47  10.896   3.804  -8.234
  384    HB3  GLU  47           2HB      GLU  47  10.202   4.045  -9.828
  385    HG2  GLU  47           1HG      GLU  47  11.111   6.377  -8.197
  386    HG3  GLU  47           2HG      GLU  47  12.265   5.413  -9.113
  387    H    ASN  48           H        ASN  48   7.560   3.762 -10.053
  388    HA   ASN  48           HA       ASN  48   7.037   6.044 -11.614
  389    HB2  ASN  48           1HB      ASN  48   6.055   3.252 -11.539
  390    HB3  ASN  48           2HB      ASN  48   5.067   4.426 -12.407
  391   HD21  ASN  48          1HD2      ASN  48   7.654   2.345 -12.598
  392   HD22  ASN  48          2HD2      ASN  48   8.348   2.927 -14.075
  393    H    CYS  49           H        CYS  49   5.530   4.975  -8.712
  394    HA   CYS  49           HA       CYS  49   3.129   6.547  -9.267
  395    HB2  CYS  49           1HB      CYS  49   3.903   4.683  -7.048
  396    HB3  CYS  49           2HB      CYS  49   2.606   5.849  -6.810
  397    H    SER  50           H        SER  50   5.981   6.571  -7.207
  398    HA   SER  50           HA       SER  50   5.113   8.647  -5.527
  399    HB2  SER  50           1HB      SER  50   7.687   8.727  -5.051
  400    HB3  SER  50           2HB      SER  50   6.742   7.315  -4.575
  401    HG   SER  50           HG       SER  50   8.481   7.627  -6.782
  402    H    PHE  51           H        PHE  51   6.834   8.663  -8.565
  403    HA   PHE  51           HA       PHE  51   8.011  11.161  -8.295
  404    HB2  PHE  51           1HB      PHE  51   8.486  11.106 -10.623
  405    HB3  PHE  51           2HB      PHE  51   8.671   9.495  -9.987
  406    HD1  PHE  51           HD1      PHE  51   5.760  11.411 -11.393
  407    HD2  PHE  51           HD2      PHE  51   8.215   7.946 -11.548
  408    HE1  PHE  51           HE1      PHE  51   4.412  10.546 -13.259
  409    HE2  PHE  51           HE2      PHE  51   6.862   7.066 -13.402
  410    HZ   PHE  51           HZ       PHE  51   4.960   8.366 -14.260
  411    H    GLY  52           H        GLY  52   4.710  10.426  -8.916
  412    HA2  GLY  52           2HA      GLY  52   3.687  12.825  -8.327
  413    HA3  GLY  52           1HA      GLY  52   4.140  13.056 -10.006
  414    H    LYS  53           H        LYS  53   2.110  13.377 -10.675
  415    HA   LYS  53           HA       LYS  53   0.030  13.070 -11.367
  416    HB2  LYS  53           1HB      LYS  53  -0.503  10.919 -12.511
  417    HB3  LYS  53           2HB      LYS  53   0.938  11.749 -13.058
  418    HG2  LYS  53           1HG      LYS  53   2.319  10.159 -11.806
  419    HG3  LYS  53           2HG      LYS  53   0.857   9.320 -11.283
  420    HD2  LYS  53           1HD      LYS  53   0.302   8.755 -13.558
  421    HD3  LYS  53           2HD      LYS  53   1.638   9.731 -14.167
  422    HE2  LYS  53           1HE      LYS  53   2.294   7.433 -14.247
  423    HE3  LYS  53           2HE      LYS  53   3.208   8.223 -12.965
  424    HZ1  LYS  53           3HZ      LYS  53   1.912   7.194 -11.323
  425    HZ2  LYS  53           1HZ      LYS  53   2.249   5.970 -12.447
  426    HZ3  LYS  53           2HZ      LYS  53   0.722   6.704 -12.428
  427    H    GLN  54           H        GLN  54   0.589  10.090  -9.422
  428    HA   GLN  54           HA       GLN  54  -1.521  10.845  -7.660
  429    HB2  GLN  54           1HB      GLN  54  -2.905   8.778  -8.136
  430    HB3  GLN  54           2HB      GLN  54  -3.020  10.092  -9.298
  431    HG2  GLN  54           1HG      GLN  54  -1.258   8.839 -10.631
  432    HG3  GLN  54           2HG      GLN  54  -1.596   7.474  -9.566
  433   HE21  GLN  54          1HE2      GLN  54  -2.384   8.903 -12.435
  434   HE22  GLN  54          2HE2      GLN  54  -3.925   8.163 -12.687
  435    H    ALA  55           H        ALA  55  -0.715  10.285  -5.774
  436    HA   ALA  55           HA       ALA  55   0.010   7.584  -5.147
  437    HB1  ALA  55           3HB      ALA  55   2.106   8.052  -6.130
  438    HB2  ALA  55           1HB      ALA  55   2.182   9.649  -5.383
  439    HB3  ALA  55           2HB      ALA  55   2.346   8.201  -4.390
  440    H    LYS  56           H        LYS  56  -0.018  10.980  -4.296
  441    HA   LYS  56           HA       LYS  56   0.272  10.669  -1.499
  442    HB2  LYS  56           1HB      LYS  56  -1.160  12.903  -2.943
  443    HB3  LYS  56           2HB      LYS  56  -0.457  12.957  -1.333
  444    HG2  LYS  56           1HG      LYS  56   1.758  12.802  -2.211
  445    HG3  LYS  56           2HG      LYS  56   1.146  12.487  -3.834
  446    HD2  LYS  56           1HD      LYS  56   0.054  14.751  -3.739
  447    HD3  LYS  56           2HD      LYS  56   0.966  15.043  -2.254
  448    HE2  LYS  56           1HE      LYS  56   2.156  14.338  -4.932
  449    HE3  LYS  56           2HE      LYS  56   2.083  15.962  -4.249
  450    HZ1  LYS  56           3HZ      LYS  56   3.300  14.739  -2.267
  451    HZ2  LYS  56           1HZ      LYS  56   4.156  15.367  -3.591
  452    HZ3  LYS  56           2HZ      LYS  56   3.802  13.710  -3.519
  453    H    ASN  57           H        ASN  57  -2.400  10.404  -3.699
  454    HA   ASN  57           HA       ASN  57  -4.392  10.376  -1.612
  455    HB2  ASN  57           1HB      ASN  57  -5.924   9.459  -3.329
  456    HB3  ASN  57           2HB      ASN  57  -5.178  10.962  -3.836
  457   HD21  ASN  57          1HD2      ASN  57  -4.071  11.003  -5.698
  458   HD22  ASN  57          2HD2      ASN  57  -3.778   9.615  -6.686
  459    H    CYS  58           H        CYS  58  -5.194   8.706  -0.607
  460    HA   CYS  58           HA       CYS  58  -3.691   6.670   0.275
  461    HB2  CYS  58           1HB      CYS  58  -5.649   7.165   1.412
  462    HB3  CYS  58           2HB      CYS  58  -6.636   7.044  -0.034
  463    H    ILE  59           H        ILE  59  -2.886   4.895  -0.459
  464    HA   ILE  59           HA       ILE  59  -2.975   4.213  -3.124
  465    HB   ILE  59           HB       ILE  59  -1.710   2.186  -2.496
  466   HG12  ILE  59          1HG1      ILE  59  -2.435   3.080   0.304
  467   HG13  ILE  59          2HG1      ILE  59  -2.789   1.527  -0.446
  468   HG21  ILE  59          1HG2      ILE  59  -0.752   4.533  -0.888
  469   HG22  ILE  59          2HG2      ILE  59   0.200   3.369  -1.811
  470   HG23  ILE  59          3HG2      ILE  59  -0.794   4.563  -2.650
  471   HD11  ILE  59          3HD1      ILE  59   0.002   1.847  -0.537
  472   HD12  ILE  59          1HD1      ILE  59  -0.516   2.321   1.085
  473   HD13  ILE  59          2HD1      ILE  59  -0.938   0.727   0.450
  474    H    ILE  60           H        ILE  60  -4.940   2.900  -0.520
  475    HA   ILE  60           HA       ILE  60  -5.761   0.608  -1.993
  476    HB   ILE  60           HB       ILE  60  -6.879   1.835   0.523
  477   HG12  ILE  60          1HG1      ILE  60  -5.173  -0.607  -0.004
  478   HG13  ILE  60          2HG1      ILE  60  -4.628   0.900   0.724
  479   HG21  ILE  60          1HG2      ILE  60  -7.756  -0.742   0.530
  480   HG22  ILE  60          2HG2      ILE  60  -8.730   0.650   0.051
  481   HG23  ILE  60          3HG2      ILE  60  -7.917  -0.322  -1.176
  482   HD11  ILE  60          3HD1      ILE  60  -6.421  -1.199   1.875
  483   HD12  ILE  60          1HD1      ILE  60  -4.910  -0.553   2.515
  484   HD13  ILE  60          2HD1      ILE  60  -6.371   0.437   2.533
  485    H    CYS  61           H        CYS  61  -7.388   3.740  -1.336
  486    HA   CYS  61           HA       CYS  61  -9.485   2.825  -3.163
  487    HB2  CYS  61           1HB      CYS  61 -10.914   4.608  -2.279
  488    HB3  CYS  61           2HB      CYS  61 -10.364   3.513  -1.012
  489    H    ASN  62           H        ASN  62  -6.746   4.695  -3.168
  490    HA   ASN  62           HA       ASN  62  -5.917   6.380  -4.429
  491    HB2  ASN  62           1HB      ASN  62  -6.197   6.033  -6.878
  492    HB3  ASN  62           2HB      ASN  62  -5.661   4.615  -5.993
  493   HD21  ASN  62          1HD2      ASN  62  -8.152   6.019  -7.907
  494   HD22  ASN  62          2HD2      ASN  62  -9.110   4.593  -8.090
  495    H    LEU  63           H        LEU  63  -7.845   7.527  -3.133
  496    HA   LEU  63           HA       LEU  63  -8.882   9.467  -5.020
  497    HB2  LEU  63           1HB      LEU  63 -10.457   7.321  -4.344
  498    HB3  LEU  63           2HB      LEU  63 -10.955   8.522  -3.170
  499    HG   LEU  63           HG       LEU  63 -12.468   8.826  -4.899
  500   HD11  LEU  63          1HD1      LEU  63 -10.235  10.760  -4.947
  501   HD12  LEU  63          2HD1      LEU  63 -11.397  10.853  -6.274
  502   HD13  LEU  63          3HD1      LEU  63 -11.950  11.004  -4.605
  503   HD21  LEU  63          3HD2      LEU  63 -11.158   7.287  -6.413
  504   HD22  LEU  63          1HD2      LEU  63 -12.035   8.603  -7.201
  505   HD23  LEU  63          2HD2      LEU  63 -10.290   8.723  -6.963
  506    H    ASN  64           H        ASN  64  -9.570   8.418  -1.714
  507    HA   ASN  64           HA       ASN  64  -9.470  11.066  -0.634
  508    HB2  ASN  64           1HB      ASN  64  -9.405   8.377   0.762
  509    HB3  ASN  64           2HB      ASN  64  -9.701   9.929   1.539
  510   HD21  ASN  64          1HD2      ASN  64 -11.135   7.246   0.229
  511   HD22  ASN  64          2HD2      ASN  64 -12.720   7.883  -0.063
  512    H    VAL  65           H        VAL  65  -7.785  12.057   0.444
  513    HA   VAL  65           HA       VAL  65  -5.197  11.276  -0.323
  514    HB   VAL  65           HB       VAL  65  -5.826  13.616   0.062
  515   HG11  VAL  65          1HG1      VAL  65  -6.970  14.029   1.918
  516   HG12  VAL  65          2HG1      VAL  65  -6.392  12.555   2.692
  517   HG13  VAL  65          3HG1      VAL  65  -5.411  14.017   2.744
  518   HG21  VAL  65          3HG2      VAL  65  -3.493  13.171  -0.054
  519   HG22  VAL  65          1HG2      VAL  65  -3.736  14.255   1.317
  520   HG23  VAL  65          2HG2      VAL  65  -3.467  12.533   1.592
  521    H    GLY  66           H        GLY  66  -3.558  10.227   0.674
  522    HA2  GLY  66           2HA      GLY  66  -4.256   8.536   2.893
  523    HA3  GLY  66           1HA      GLY  66  -2.719   8.565   2.046
  524    H    VAL  67           H        VAL  67  -3.522   8.576   4.956
  525    HA   VAL  67           HA       VAL  67  -1.975  10.959   5.728
  526    HB   VAL  67           HB       VAL  67  -3.139  10.859   7.938
  527   HG11  VAL  67          1HG1      VAL  67  -5.474  11.292   6.383
  528   HG12  VAL  67          2HG1      VAL  67  -4.367  12.484   7.061
  529   HG13  VAL  67          3HG1      VAL  67  -4.083  11.835   5.445
  530   HG21  VAL  67          3HG2      VAL  67  -4.336   9.056   8.452
  531   HG22  VAL  67          1HG2      VAL  67  -5.525   9.565   7.252
  532   HG23  VAL  67          2HG2      VAL  67  -4.234   8.452   6.797
  533    H    ASN  68           H        ASN  68  -2.658   7.555   6.620
  534    HA   ASN  68           HA       ASN  68  -0.015   7.539   7.941
  535    HB2  ASN  68           1HB      ASN  68  -2.460   5.893   8.619
  536    HB3  ASN  68           2HB      ASN  68  -0.864   5.633   9.313
  537   HD21  ASN  68          1HD2      ASN  68  -3.691   6.724  10.117
  538   HD22  ASN  68          2HD2      ASN  68  -3.280   8.065  11.147
  539    H    ASP  69           H        ASP  69   1.324   5.781   7.612
  540    HA   ASP  69           HA       ASP  69   1.282   4.708   5.005
  541    HB2  ASP  69           1HB      ASP  69   2.887   3.763   7.394
  542    HB3  ASP  69           2HB      ASP  69   3.248   3.427   5.706
  543    H    ALA  70           H        ALA  70   0.831   2.733   4.200
  544    HA   ALA  70           HA       ALA  70  -0.950   1.016   5.710
  545    HB1  ALA  70           3HB      ALA  70  -1.747   0.708   3.658
  546    HB2  ALA  70           1HB      ALA  70  -0.316   1.435   2.924
  547    HB3  ALA  70           2HB      ALA  70  -0.319  -0.283   3.337
  548    H    PHE  71           H        PHE  71  -0.594  -1.249   5.979
  549    HA   PHE  71           HA       PHE  71   2.229  -2.066   5.923
  550    HB2  PHE  71           1HB      PHE  71   0.224  -2.512   8.140
  551    HB3  PHE  71           2HB      PHE  71   1.715  -3.432   7.995
  552    HD1  PHE  71           HD2      PHE  71   0.578   0.130   8.111
  553    HD2  PHE  71           HD1      PHE  71   3.519  -2.746   9.199
  554    HE1  PHE  71           HE2      PHE  71   1.761   1.840   9.423
  555    HE2  PHE  71           HE1      PHE  71   4.701  -1.046  10.519
  556    HZ   PHE  71           HZ       PHE  71   3.823   1.253  10.633
  557    H    TYR  72           H        TYR  72   2.599  -4.068   5.154
  558    HA   TYR  72           HA       TYR  72   0.459  -5.643   4.001
  559    HB2  TYR  72           1HB      TYR  72   3.367  -6.353   4.506
  560    HB3  TYR  72           2HB      TYR  72   2.226  -7.351   3.620
  561    HD1  TYR  72           HD2      TYR  72   1.218  -6.363   1.473
  562    HD2  TYR  72           HD1      TYR  72   4.666  -4.775   3.394
  563    HE1  TYR  72           HE2      TYR  72   1.883  -5.280  -0.631
  564    HE2  TYR  72           HE1      TYR  72   5.344  -3.689   1.297
  565    HH   TYR  72           HH       TYR  72   3.697  -4.295  -1.723
  566    H    CYS  73           H        CYS  73  -0.757  -7.077   5.146
  567    HA   CYS  73           HA       CYS  73  -0.271  -7.420   7.918
  568    HB2  CYS  73           1HB      CYS  73  -2.298  -8.527   8.043
  569    HB3  CYS  73           2HB      CYS  73  -2.531  -7.514   6.626
  570    H    TRP  74           H        TRP  74   0.146  -9.339   9.054
  571    HA   TRP  74           HA       TRP  74   2.399 -10.712   8.298
  572    HB2  TRP  74           1HB      TRP  74   1.244 -10.514  10.569
  573    HB3  TRP  74           2HB      TRP  74   0.301 -11.906  10.082
  574    HD1  TRP  74           HD1      TRP  74   1.520 -12.891  12.365
  575    HE1  TRP  74           HE1      TRP  74   3.679 -14.274  12.581
  576    HE3  TRP  74           HE3      TRP  74   3.676 -11.702   7.890
  577    HZ2  TRP  74           HZ2      TRP  74   5.993 -14.782  11.050
  578    HZ3  TRP  74           HZ3      TRP  74   5.871 -12.674   7.345
  579    HH2  TRP  74           HH2      TRP  74   7.001 -14.189   8.892
  580    H    GLU  75           H        GLU  75  -0.959 -11.752   7.970
  581    HA   GLU  75           HA       GLU  75  -0.510 -14.327   7.059
  582    HB2  GLU  75           1HB      GLU  75  -2.742 -12.490   6.162
  583    HB3  GLU  75           2HB      GLU  75  -2.751 -14.245   6.088
  584    HG2  GLU  75           1HG      GLU  75  -2.592 -12.646   8.631
  585    HG3  GLU  75           2HG      GLU  75  -4.077 -13.307   7.951
  586    H    CYS  76           H        CYS  76  -0.759 -11.347   5.124
  587    HA   CYS  76           HA       CYS  76  -0.309 -12.706   2.643
  588    HB2  CYS  76           1HB      CYS  76  -0.192  -9.777   3.373
  589    HB3  CYS  76           2HB      CYS  76   0.034 -10.386   1.738
  590    H    CYS  77           H        CYS  77   1.693 -10.955   4.952
  591    HA   CYS  77           HA       CYS  77   4.004 -10.824   3.340
  592    HB2  CYS  77           1HB      CYS  77   3.561  -9.425   5.367
  593    HB3  CYS  77           2HB      CYS  77   3.897 -10.839   6.358
  594    HG   CYS  77           HG       CYS  77   6.292  -9.977   4.142
  595    H    ARG  78           H        ARG  78   2.898 -13.208   5.711
  596    HA   ARG  78           HA       ARG  78   5.251 -14.758   5.770
  597    HB2  ARG  78           1HB      ARG  78   3.383 -14.911   7.422
  598    HB3  ARG  78           2HB      ARG  78   2.411 -15.703   6.191
  599    HG2  ARG  78           1HG      ARG  78   3.812 -17.607   6.168
  600    HG3  ARG  78           2HG      ARG  78   5.057 -16.792   7.116
  601    HD2  ARG  78           1HD      ARG  78   3.763 -18.392   8.458
  602    HD3  ARG  78           2HD      ARG  78   3.592 -16.740   9.047
  603    HE   ARG  78           HE       ARG  78   1.487 -17.230   7.277
  604   HH11  ARG  78          2HH1      ARG  78   2.633 -18.401  10.377
  605   HH12  ARG  78          1HH1      ARG  78   1.042 -18.782  10.974
  606   HH21  ARG  78          2HH2      ARG  78  -0.611 -17.711   8.068
  607   HH22  ARG  78          1HH2      ARG  78  -0.804 -18.345   9.678
  608    H    LEU  79           H        LEU  79   2.422 -14.817   3.687
  609    HA   LEU  79           HA       LEU  79   3.209 -17.121   2.179
  610    HB2  LEU  79           1HB      LEU  79   1.325 -14.863   1.474
  611    HB3  LEU  79           2HB      LEU  79   1.494 -16.355   0.570
  612    HG   LEU  79           HG       LEU  79   0.521 -16.159   3.422
  613   HD11  LEU  79          1HD1      LEU  79  -0.925 -16.473   0.807
  614   HD12  LEU  79          2HD1      LEU  79  -1.640 -16.923   2.355
  615   HD13  LEU  79          3HD1      LEU  79  -1.170 -15.250   2.055
  616   HD21  LEU  79          3HD2      LEU  79   0.930 -18.468   1.548
  617   HD22  LEU  79          1HD2      LEU  79   1.531 -18.263   3.193
  618   HD23  LEU  79          2HD2      LEU  79  -0.187 -18.551   2.910
  619    H    GLY  80           H        GLY  80   3.793 -13.693   2.049
  620    HA2  GLY  80           2HA      GLY  80   5.815 -12.849   1.152
  621    HA3  GLY  80           1HA      GLY  80   5.854 -14.203   0.036
  622    H    LYS  81           H        LYS  81   3.150 -11.982   0.668
  623    HA   LYS  81           HA       LYS  81   3.211 -11.310  -2.171
  624    HB2  LYS  81           1HB      LYS  81   1.106 -10.974  -0.050
  625    HB3  LYS  81           2HB      LYS  81   0.984 -10.199  -1.628
  626    HG2  LYS  81           1HG      LYS  81   1.379 -12.557  -2.575
  627    HG3  LYS  81           2HG      LYS  81   0.949 -13.108  -0.953
  628    HD2  LYS  81           1HD      LYS  81  -1.226 -12.445  -1.156
  629    HD3  LYS  81           2HD      LYS  81  -0.837 -11.142  -2.284
  630    HE2  LYS  81           1HE      LYS  81  -0.819 -14.093  -2.914
  631    HE3  LYS  81           2HE      LYS  81  -2.067 -12.943  -3.393
  632    HZ1  LYS  81           3HZ      LYS  81   0.417 -11.939  -4.225
  633    HZ2  LYS  81           1HZ      LYS  81  -0.878 -12.459  -5.183
  634    HZ3  LYS  81           2HZ      LYS  81   0.324 -13.562  -4.721
  635    H    ASP  82           H        ASP  82   4.631 -10.212   0.497
  636    HA   ASP  82           HA       ASP  82   4.323  -7.376   0.148
  637    HB2  ASP  82           1HB      ASP  82   6.237  -7.148   1.642
  638    HB3  ASP  82           2HB      ASP  82   5.089  -8.300   2.307
  639    H    LYS  83           H        LYS  83   6.074  -9.921  -1.339
  640    HA   LYS  83           HA       LYS  83   7.887  -8.076  -2.695
  641    HB2  LYS  83           1HB      LYS  83   9.028 -10.068  -3.519
  642    HB3  LYS  83           2HB      LYS  83   8.849 -10.142  -1.772
  643    HG2  LYS  83           1HG      LYS  83   6.938 -11.643  -2.035
  644    HG3  LYS  83           2HG      LYS  83   7.139 -11.580  -3.784
  645    HD2  LYS  83           1HD      LYS  83   9.301 -12.525  -1.917
  646    HD3  LYS  83           2HD      LYS  83   8.102 -13.607  -2.623
  647    HE2  LYS  83           1HE      LYS  83   9.884 -13.807  -4.085
  648    HE3  LYS  83           2HE      LYS  83   8.874 -12.600  -4.877
  649    HZ1  LYS  83           3HZ      LYS  83  11.512 -12.342  -4.334
  650    HZ2  LYS  83           1HZ      LYS  83  10.799 -11.466  -3.070
  651    HZ3  LYS  83           2HZ      LYS  83  10.455 -11.061  -4.682
  652    H    ASP  84           H        ASP  84   4.813  -8.759  -3.152
  653    HA   ASP  84           HA       ASP  84   4.730  -9.600  -5.887
  654    HB2  ASP  84           1HB      ASP  84   2.744  -8.405  -3.992
  655    HB3  ASP  84           2HB      ASP  84   2.396  -8.373  -5.716
  656    H    GLY  85           H        GLY  85   3.915  -6.444  -4.460
  657    HA2  GLY  85           2HA      GLY  85   5.890  -4.983  -5.599
  658    HA3  GLY  85           1HA      GLY  85   4.663  -5.035  -6.853
  659    H    CYS  86           H        CYS  86   4.523  -2.841  -6.733
  660    HA   CYS  86           HA       CYS  86   3.959  -1.216  -4.567
  661    HB2  CYS  86           1HB      CYS  86   4.670  -0.484  -6.789
  662    HB3  CYS  86           2HB      CYS  86   3.144  -1.015  -7.470
  663    HA   PRO  87           HA       PRO  87  -0.180  -2.761  -3.708
  664    HB2  PRO  87           1HB      PRO  87  -0.492  -1.542  -1.333
  665    HB3  PRO  87           2HB      PRO  87   0.580  -2.933  -1.536
  666    HG2  PRO  87           1HG      PRO  87   1.256  -0.019  -1.448
  667    HG3  PRO  87           2HG      PRO  87   2.063  -1.377  -0.642
  668    HD2  PRO  87           1HD      PRO  87   2.977  -0.261  -2.949
  669    HD3  PRO  87           2HD      PRO  87   3.224  -1.970  -2.534
  670    H    ARG  88           H        ARG  88   0.517  -0.053  -5.088
  671    HA   ARG  88           HA       ARG  88  -1.662   1.711  -4.444
  672    HB2  ARG  88           1HB      ARG  88   0.298   1.410  -6.700
  673    HB3  ARG  88           2HB      ARG  88  -1.115   2.430  -6.918
  674    HG2  ARG  88           1HG      ARG  88   0.721   2.819  -4.596
  675    HG3  ARG  88           2HG      ARG  88   1.078   3.507  -6.182
  676    HD2  ARG  88           1HD      ARG  88  -1.377   3.987  -4.515
  677    HD3  ARG  88           2HD      ARG  88  -0.076   5.128  -4.835
  678    HE   ARG  88           HE       ARG  88  -1.041   4.432  -7.304
  679   HH11  ARG  88          2HH1      ARG  88  -2.356   5.833  -4.385
  680   HH12  ARG  88          1HH1      ARG  88  -3.532   6.798  -5.219
  681   HH21  ARG  88          2HH2      ARG  88  -2.580   5.690  -8.416
  682   HH22  ARG  88          1HH2      ARG  88  -3.673   6.709  -7.512
  683    H    ILE  89           H        ILE  89  -3.763   1.603  -5.290
  684    HA   ILE  89           HA       ILE  89  -4.357  -0.773  -6.872
  685    HB   ILE  89           HB       ILE  89  -6.163   1.167  -5.462
  686   HG12  ILE  89          1HG1      ILE  89  -4.979  -0.522  -4.082
  687   HG13  ILE  89          2HG1      ILE  89  -6.721  -0.773  -4.091
  688   HG21  ILE  89          1HG2      ILE  89  -6.719  -0.467  -7.741
  689   HG22  ILE  89          2HG2      ILE  89  -7.600  -1.097  -6.341
  690   HG23  ILE  89          3HG2      ILE  89  -7.811   0.586  -6.832
  691   HD11  ILE  89          3HD1      ILE  89  -5.823  -2.323  -6.196
  692   HD12  ILE  89          1HD1      ILE  89  -4.590  -2.529  -4.949
  693   HD13  ILE  89          2HD1      ILE  89  -6.278  -2.889  -4.586
  694    H    LEU  90           H        LEU  90  -4.457  -0.675  -9.065
  695    HA   LEU  90           HA       LEU  90  -5.697   1.609 -10.318
  696    HB2  LEU  90           1HB      LEU  90  -3.600   1.630 -11.939
  697    HB3  LEU  90           2HB      LEU  90  -3.794   2.699 -10.575
  698    HG   LEU  90           HG       LEU  90  -2.310   0.152 -10.163
  699   HD11  LEU  90          1HD1      LEU  90  -0.717   0.670 -11.631
  700   HD12  LEU  90          2HD1      LEU  90  -1.670   2.057 -12.164
  701   HD13  LEU  90          3HD1      LEU  90  -0.515   2.238 -10.839
  702   HD21  LEU  90          3HD2      LEU  90  -2.711   2.726  -8.869
  703   HD22  LEU  90          1HD2      LEU  90  -2.116   1.206  -8.200
  704   HD23  LEU  90          2HD2      LEU  90  -1.007   2.299  -9.026
  705    H    ASN  91           H        ASN  91  -3.651  -1.175 -11.321
  706    HA   ASN  91           HA       ASN  91  -5.509  -2.637 -12.769
  707    HB2  ASN  91           1HB      ASN  91  -4.919  -0.172 -14.100
  708    HB3  ASN  91           2HB      ASN  91  -4.196  -1.498 -15.006
  709   HD21  ASN  91          1HD2      ASN  91  -7.237  -0.832 -13.307
  710   HD22  ASN  91          2HD2      ASN  91  -8.262  -1.443 -14.563
  711    H    LEU  92           H        LEU  92  -4.466  -4.291 -14.112
  712    HA   LEU  92           HA       LEU  92  -1.606  -4.220 -14.425
  713    HB2  LEU  92           1HB      LEU  92  -1.786  -4.803 -12.060
  714    HB3  LEU  92           2HB      LEU  92  -2.820  -6.159 -12.462
  715    HG   LEU  92           HG       LEU  92  -0.941  -7.206 -13.681
  716   HD11  LEU  92          1HD1      LEU  92   1.002  -5.361 -12.438
  717   HD12  LEU  92          2HD1      LEU  92   1.089  -6.257 -13.955
  718   HD13  LEU  92          3HD1      LEU  92   0.137  -4.774 -13.860
  719   HD21  LEU  92          3HD2      LEU  92   0.541  -7.329 -11.460
  720   HD22  LEU  92          1HD2      LEU  92  -0.918  -6.596 -10.790
  721   HD23  LEU  92          2HD2      LEU  92  -1.012  -8.147 -11.623
  722    H    GLY  93           H        GLY  93  -4.661  -5.808 -14.839
  723    HA2  GLY  93           2HA      GLY  93  -5.365  -7.218 -16.533
  724    HA3  GLY  93           1HA      GLY  93  -3.755  -7.108 -17.237
  725    H    SER  94           H        SER  94  -4.571  -8.073 -13.977
  726    HA   SER  94           HA       SER  94  -4.330 -10.869 -14.389
  727    HB2  SER  94           1HB      SER  94  -1.949 -10.204 -14.689
  728    HB3  SER  94           2HB      SER  94  -1.973  -9.488 -13.080
  729    HG   SER  94           HG       SER  94  -2.823 -11.861 -12.640
  730    H    ASN  95           H        ASN  95  -6.254  -9.338 -13.186
  731    HA   ASN  95           HA       ASN  95  -5.862  -9.041 -10.385
  732    HB2  ASN  95           1HB      ASN  95  -7.598  -7.782 -11.622
  733    HB3  ASN  95           2HB      ASN  95  -8.467  -9.286 -11.912
  734   HD21  ASN  95          1HD2      ASN  95 -10.164  -9.453 -10.663
  735   HD22  ASN  95          2HD2      ASN  95 -10.278  -8.934  -9.015
  736    H    ARG  96           H        ARG  96  -5.970 -10.465  -8.815
  737    HA   ARG  96           HA       ARG  96  -7.503 -12.902  -9.127
  738    HB2  ARG  96           1HB      ARG  96  -5.308 -14.043  -8.048
  739    HB3  ARG  96           2HB      ARG  96  -5.673 -14.063  -9.765
  740    HG2  ARG  96           1HG      ARG  96  -3.439 -13.430  -9.676
  741    HG3  ARG  96           2HG      ARG  96  -4.292 -11.898  -9.881
  742    HD2  ARG  96           1HD      ARG  96  -2.736 -11.462  -8.198
  743    HD3  ARG  96           2HD      ARG  96  -4.251 -11.756  -7.336
  744    HE   ARG  96           HE       ARG  96  -3.337 -13.644  -6.405
  745   HH11  ARG  96          2HH1      ARG  96  -1.259 -12.569  -9.030
  746   HH12  ARG  96          1HH1      ARG  96  -0.031 -13.758  -8.701
  747   HH21  ARG  96          2HH2      ARG  96  -1.733 -15.217  -5.999
  748   HH22  ARG  96          1HH2      ARG  96  -0.309 -15.269  -7.002
  749    H    LEU  97           H        LEU  97  -5.386 -13.437  -6.664
  750    HA   LEU  97           HA       LEU  97  -5.369 -13.149  -4.412
  751    HB2  LEU  97           1HB      LEU  97  -7.238 -10.835  -4.942
  752    HB3  LEU  97           2HB      LEU  97  -6.544 -11.226  -3.379
  753    HG   LEU  97           HG       LEU  97  -4.940 -10.463  -5.821
  754   HD11  LEU  97          1HD1      LEU  97  -6.505  -8.815  -4.225
  755   HD12  LEU  97          2HD1      LEU  97  -4.868  -8.628  -3.594
  756   HD13  LEU  97          3HD1      LEU  97  -5.194  -8.318  -5.298
  757   HD21  LEU  97          3HD2      LEU  97  -3.071 -10.812  -4.626
  758   HD22  LEU  97          1HD2      LEU  97  -3.799 -10.236  -3.126
  759   HD23  LEU  97          2HD2      LEU  97  -4.096 -11.886  -3.672
  760    H    ASP  98           H        ASP  98  -6.444 -14.056  -2.726
  761    HA   ASP  98           HA       ASP  98  -9.269 -14.773  -3.160
  762    HB2  ASP  98           1HB      ASP  98  -6.989 -16.594  -2.405
  763    HB3  ASP  98           2HB      ASP  98  -8.661 -17.002  -2.030
  764    H    ARG  99           H        ARG  99  -9.058 -12.710  -1.712
  765    HA   ARG  99           HA       ARG  99  -8.407 -13.075   1.031
  766    HB2  ARG  99           1HB      ARG  99  -9.571 -10.948   1.395
  767    HB3  ARG  99           2HB      ARG  99  -8.456 -10.845   0.037
  768    HG2  ARG  99           1HG      ARG  99 -10.310 -11.152  -1.505
  769    HG3  ARG  99           2HG      ARG  99 -11.423 -11.248  -0.145
  770    HD2  ARG  99           1HD      ARG  99 -10.909  -8.965   0.479
  771    HD3  ARG  99           2HD      ARG  99  -9.696  -8.865  -0.798
  772    HE   ARG  99           HE       ARG  99 -12.134  -9.579  -1.958
  773   HH11  ARG  99          2HH1      ARG  99 -10.746  -6.845  -0.289
  774   HH12  ARG  99          1HH1      ARG  99 -11.662  -5.667  -1.181
  775   HH21  ARG  99          2HH2      ARG  99 -13.359  -8.057  -3.111
  776   HH22  ARG  99          1HH2      ARG  99 -13.193  -6.363  -2.756
  777    H    HIS 100           H        HIS 100  -9.670 -13.664   2.734
  778    HA   HIS 100           HA       HIS 100 -12.508 -13.996   2.434
  779    HB2  HIS 100           1HB      HIS 100 -12.540 -16.411   2.968
  780    HB3  HIS 100           2HB      HIS 100 -11.820 -16.077   1.402
  781    HD1  HIS 100           HD1      HIS 100  -9.039 -16.035   1.506
  782    HD2  HIS 100           HD2      HIS 100 -11.086 -18.099   4.479
  783    HE1  HIS 100           HE1      HIS 100  -7.346 -17.567   2.558
  784    HE2  HIS 100           HE2      HIS 100  -8.659 -18.952   4.208
  785    H    PHE 101           H        PHE 101 -11.412 -12.306   4.057
  786    HA   PHE 101           HA       PHE 101 -11.288 -13.558   6.718
  787    HB2  PHE 101           1HB      PHE 101 -10.607 -10.741   5.840
  788    HB3  PHE 101           2HB      PHE 101 -10.555 -11.306   7.503
  789    HD1  PHE 101           HD2      PHE 101  -9.186 -12.272   4.156
  790    HD2  PHE 101           HD1      PHE 101  -8.515 -11.886   8.341
  791    HE1  PHE 101           HE2      PHE 101  -6.842 -12.948   3.838
  792    HE2  PHE 101           HE1      PHE 101  -6.166 -12.548   8.029
  793    HZ   PHE 101           HZ       PHE 101  -5.328 -13.085   5.776
  794    H    GLU 102           H        GLU 102 -13.730 -13.592   5.418
  795    HA   GLU 102           HA       GLU 102 -15.248 -11.304   6.401
  796    HB2  GLU 102           1HB      GLU 102 -16.099 -13.630   4.665
  797    HB3  GLU 102           2HB      GLU 102 -17.092 -12.230   5.057
  798    HG2  GLU 102           1HG      GLU 102 -14.513 -12.194   3.510
  799    HG3  GLU 102           2HG      GLU 102 -16.134 -12.042   2.836
  800    H    LYS 103           H        LYS 103 -14.204 -13.073   8.341
  801    HA   LYS 103           HA       LYS 103 -16.561 -14.501   9.348
  802    HB2  LYS 103           1HB      LYS 103 -13.680 -14.461  10.295
  803    HB3  LYS 103           2HB      LYS 103 -14.969 -15.298  11.140
  804    HG2  LYS 103           1HG      LYS 103 -13.940 -16.972   9.924
  805    HG3  LYS 103           2HG      LYS 103 -15.339 -16.552   8.938
  806    HD2  LYS 103           1HD      LYS 103 -13.871 -15.087   7.575
  807    HD3  LYS 103           2HD      LYS 103 -12.490 -15.656   8.514
  808    HE2  LYS 103           1HE      LYS 103 -14.328 -17.384   6.862
  809    HE3  LYS 103           2HE      LYS 103 -12.717 -16.853   6.384
  810    HZ1  LYS 103           3HZ      LYS 103 -12.805 -19.136   7.289
  811    HZ2  LYS 103           1HZ      LYS 103 -13.276 -18.504   8.792
  812    HZ3  LYS 103           2HZ      LYS 103 -11.755 -18.117   8.146
  813    H    LYS 104           H        LYS 104 -16.254 -14.206  12.082
  814    HA   LYS 104           HA       LYS 104 -17.102 -11.508  12.502
  815    HB2  LYS 104           1HB      LYS 104 -17.192 -12.072  14.880
  816    HB3  LYS 104           2HB      LYS 104 -17.991 -13.290  13.910
  817    HG2  LYS 104           1HG      LYS 104 -16.870 -14.587  15.417
  818    HG3  LYS 104           2HG      LYS 104 -15.706 -14.538  14.096
  819    HD2  LYS 104           1HD      LYS 104 -14.666 -14.205  16.311
  820    HD3  LYS 104           2HD      LYS 104 -14.425 -12.832  15.232
  821    HE2  LYS 104           1HE      LYS 104 -14.980 -12.155  17.540
  822    HE3  LYS 104           2HE      LYS 104 -16.157 -11.585  16.364
  823    HZ1  LYS 104           3HZ      LYS 104 -17.009 -14.082  17.295
  824    HZ2  LYS 104           1HZ      LYS 104 -17.731 -12.566  17.537
  825    HZ3  LYS 104           2HZ      LYS 104 -16.589 -13.150  18.647
  826    H    LYS 105           H        LYS 105 -14.120 -13.262  12.765
  827    HA   LYS 105           HA       LYS 105 -12.658 -11.028  13.887
  828    HB2  LYS 105           1HB      LYS 105 -11.910 -13.763  12.915
  829    HB3  LYS 105           2HB      LYS 105 -10.670 -12.531  13.102
  830    HG2  LYS 105           1HG      LYS 105 -12.521 -13.480  15.280
  831    HG3  LYS 105           2HG      LYS 105 -10.845 -13.990  15.061
  832    HD2  LYS 105           1HD      LYS 105 -11.797 -11.180  15.619
  833    HD3  LYS 105           2HD      LYS 105 -11.004 -12.257  16.768
  834    HE2  LYS 105           1HE      LYS 105  -9.000 -12.275  15.361
  835    HE3  LYS 105           2HE      LYS 105  -9.794 -11.196  14.216
  836    HZ1  LYS 105           3HZ      LYS 105  -9.540  -9.412  15.569
  837    HZ2  LYS 105           1HZ      LYS 105  -8.216 -10.316  16.129
  838    HZ3  LYS 105           2HZ      LYS 105  -9.671 -10.320  16.998
  839    H    LYS 106           H        LYS 106 -11.722  -9.475  12.768
  840    HA   LYS 106           HA       LYS 106 -10.805  -9.818  10.094
  841    HB2  LYS 106           1HB      LYS 106 -13.294  -9.330   9.830
  842    HB3  LYS 106           2HB      LYS 106 -12.944  -7.731  10.470
  843    HG2  LYS 106           1HG      LYS 106 -11.452  -7.287   8.609
  844    HG3  LYS 106           2HG      LYS 106 -11.726  -8.914   7.983
  845    HD2  LYS 106           1HD      LYS 106 -14.171  -8.331   7.844
  846    HD3  LYS 106           2HD      LYS 106 -13.716  -6.665   8.211
  847    HE2  LYS 106           1HE      LYS 106 -13.937  -6.941   5.818
  848    HE3  LYS 106           2HE      LYS 106 -12.247  -6.657   6.233
  849    HZ1  LYS 106           3HZ      LYS 106 -13.449  -8.917   4.955
  850    HZ2  LYS 106           1HZ      LYS 106 -12.531  -9.379   6.305
  851    HZ3  LYS 106           2HZ      LYS 106 -11.812  -8.483   5.061
  852    H    VAL 107           H        VAL 107 -11.555  -7.812  12.750
  853    HA   VAL 107           HA       VAL 107  -9.213  -6.109  12.245
  854    HB   VAL 107           HB       VAL 107 -11.410  -5.717  14.291
  855   HG11  VAL 107          1HG1      VAL 107  -9.619  -3.512  13.453
  856   HG12  VAL 107          2HG1      VAL 107 -10.359  -3.840  15.020
  857   HG13  VAL 107          3HG1      VAL 107  -8.936  -4.750  14.509
  858   HG21  VAL 107          3HG2      VAL 107 -11.988  -5.475  11.794
  859   HG22  VAL 107          1HG2      VAL 107 -12.422  -4.160  12.887
  860   HG23  VAL 107          2HG2      VAL 107 -10.997  -4.017  11.859
  Start of MODEL   10
    1    H1   GLY  -1           1H       GLY  -1  -3.925   0.183 -17.808
    2    H2   GLY  -1           2H       GLY  -1  -3.473  -0.656 -16.406
    3    H3   GLY  -1           3H       GLY  -1  -5.103  -0.288 -16.685
    4    HA2  GLY  -1           1HA      GLY  -1  -5.030  -1.703 -18.700
    5    HA3  GLY  -1           2HA      GLY  -1  -3.413  -2.191 -18.204
    6    H    GLY   0           H        GLY   0  -5.992  -3.705 -18.487
    7    HA2  GLY   0           2HA      GLY   0  -5.672  -5.510 -16.398
    8    HA3  GLY   0           1HA      GLY   0  -6.912  -4.377 -15.875
    9    H    SER   1           H        SER   1  -7.973  -3.891 -18.484
   10    HA   SER   1           HA       SER   1  -9.607  -4.636 -19.862
   11    HB2  SER   1           1HB      SER   1  -7.641  -6.027 -20.660
   12    HB3  SER   1           2HB      SER   1  -8.278  -7.347 -19.682
   13    HG   SER   1           HG       SER   1  -9.921  -7.603 -21.036
   14    H    SER   2           H        SER   2 -10.032  -4.761 -17.005
   15    HA   SER   2           HA       SER   2 -11.556  -5.456 -15.470
   16    HB2  SER   2           1HB      SER   2 -13.181  -6.335 -17.859
   17    HB3  SER   2           2HB      SER   2 -13.774  -5.742 -16.307
   18    HG   SER   2           HG       SER   2 -13.406  -3.733 -16.905
   19    H    ARG   3           H        ARG   3  -9.560  -7.432 -16.197
   20    HA   ARG   3           HA       ARG   3 -10.851  -9.985 -16.360
   21    HB2  ARG   3           1HB      ARG   3  -8.005  -9.153 -15.836
   22    HB3  ARG   3           2HB      ARG   3  -8.520 -10.833 -15.786
   23    HG2  ARG   3           1HG      ARG   3  -8.730  -9.003 -18.165
   24    HG3  ARG   3           2HG      ARG   3  -7.528 -10.276 -17.930
   25    HD2  ARG   3           1HD      ARG   3 -10.506 -10.601 -18.230
   26    HD3  ARG   3           2HD      ARG   3  -9.260 -11.124 -19.360
   27    HE   ARG   3           HE       ARG   3 -10.231 -12.554 -17.111
   28   HH11  ARG   3          2HH1      ARG   3  -7.294 -11.979 -18.955
   29   HH12  ARG   3          1HH1      ARG   3  -6.527 -13.439 -18.409
   30   HH21  ARG   3          2HH2      ARG   3  -9.217 -14.472 -16.407
   31   HH22  ARG   3          1HH2      ARG   3  -7.615 -14.857 -16.972
   32    H    HIS   4           H        HIS   4 -11.166 -11.491 -14.777
   33    HA   HIS   4           HA       HIS   4 -11.507 -10.496 -12.096
   34    HB2  HIS   4           1HB      HIS   4 -11.897 -13.235 -13.309
   35    HB3  HIS   4           2HB      HIS   4 -12.198 -12.880 -11.615
   36    HD1  HIS   4           HD1      HIS   4 -14.619 -13.817 -12.482
   37    HD2  HIS   4           HD2      HIS   4 -13.506  -9.983 -13.646
   38    HE1  HIS   4           HE1      HIS   4 -16.745 -12.683 -13.207
   39    HE2  HIS   4           HE2      HIS   4 -16.008 -10.453 -14.120
   40    H    GLN   5           H        GLN   5  -8.955 -10.090 -12.413
   41    HA   GLN   5           HA       GLN   5  -7.236 -12.273 -11.819
   42    HB2  GLN   5           1HB      GLN   5  -6.802  -9.325 -11.329
   43    HB3  GLN   5           2HB      GLN   5  -5.556 -10.566 -11.364
   44    HG2  GLN   5           1HG      GLN   5  -5.948 -10.966 -13.698
   45    HG3  GLN   5           2HG      GLN   5  -7.315  -9.852 -13.695
   46   HE21  GLN   5          1HE2      GLN   5  -6.939  -7.843 -14.262
   47   HE22  GLN   5          2HE2      GLN   5  -5.385  -7.086 -14.343
   48    H    PHE   6           H        PHE   6  -6.367 -12.922  -9.860
   49    HA   PHE   6           HA       PHE   6  -8.090 -12.725  -7.620
   50    HB2  PHE   6           1HB      PHE   6  -6.737 -14.692  -8.134
   51    HB3  PHE   6           2HB      PHE   6  -5.268 -13.799  -7.772
   52    HD1  PHE   6           HD1      PHE   6  -8.548 -14.093  -6.016
   53    HD2  PHE   6           HD2      PHE   6  -4.330 -14.629  -5.865
   54    HE1  PHE   6           HE1      PHE   6  -8.727 -14.778  -3.658
   55    HE2  PHE   6           HE2      PHE   6  -4.499 -15.312  -3.506
   56    HZ   PHE   6           HZ       PHE   6  -6.699 -15.388  -2.400
   57    H    ASP   7           H        ASP   7  -8.073 -10.414  -7.589
   58    HA   ASP   7           HA       ASP   7  -7.612  -8.375  -6.722
   59    HB2  ASP   7           1HB      ASP   7  -6.043  -9.947  -4.675
   60    HB3  ASP   7           2HB      ASP   7  -6.484  -8.249  -4.536
   61    H    LEU   8           H        LEU   8  -5.904  -9.549  -8.715
   62    HA   LEU   8           HA       LEU   8  -3.322  -8.273  -8.213
   63    HB2  LEU   8           1HB      LEU   8  -4.273  -9.799 -10.638
   64    HB3  LEU   8           2HB      LEU   8  -2.638  -9.232 -10.349
   65    HG   LEU   8           HG       LEU   8  -4.063 -11.245  -8.629
   66   HD11  LEU   8          1HD1      LEU   8  -3.509 -11.904 -11.042
   67   HD12  LEU   8          2HD1      LEU   8  -1.829 -11.867 -10.508
   68   HD13  LEU   8          3HD1      LEU   8  -2.977 -12.961  -9.734
   69   HD21  LEU   8          3HD2      LEU   8  -2.048  -9.705  -7.842
   70   HD22  LEU   8          1HD2      LEU   8  -2.201 -11.393  -7.349
   71   HD23  LEU   8          2HD2      LEU   8  -1.121 -10.955  -8.673
   72    H    ILE   9           H        ILE   9  -5.339  -6.551  -8.100
   73    HA   ILE   9           HA       ILE   9  -5.258  -5.117 -10.643
   74    HB   ILE   9           HB       ILE   9  -7.339  -5.181  -8.460
   75   HG12  ILE   9          1HG1      ILE   9  -8.864  -5.450 -10.492
   76   HG13  ILE   9          2HG1      ILE   9  -7.395  -5.696 -11.426
   77   HG21  ILE   9          1HG2      ILE   9  -8.273  -3.393 -10.382
   78   HG22  ILE   9          2HG2      ILE   9  -7.817  -3.049  -8.713
   79   HG23  ILE   9          3HG2      ILE   9  -6.626  -2.881 -10.003
   80   HD11  ILE   9          3HD1      ILE   9  -7.066  -7.766 -10.609
   81   HD12  ILE   9          1HD1      ILE   9  -7.720  -7.369  -9.019
   82   HD13  ILE   9          2HD1      ILE   9  -8.813  -7.684 -10.368
   83    H    MET  10           H        MET  10  -3.578  -5.480  -8.293
   84    HA   MET  10           HA       MET  10  -3.146  -2.691  -7.538
   85    HB2  MET  10           1HB      MET  10  -1.332  -3.741  -6.016
   86    HB3  MET  10           2HB      MET  10  -3.018  -3.803  -5.537
   87    HG2  MET  10           1HG      MET  10  -3.187  -6.094  -6.226
   88    HG3  MET  10           2HG      MET  10  -1.551  -6.050  -6.885
   89    HE1  MET  10           3HE      MET  10  -3.524  -5.253  -3.549
   90    HE2  MET  10           1HE      MET  10  -2.199  -5.295  -2.384
   91    HE3  MET  10           2HE      MET  10  -2.233  -4.056  -3.636
   92    H    CYS  11           H        CYS  11  -1.340  -1.691  -7.911
   93    HA   CYS  11           HA       CYS  11  -0.207  -1.689 -10.319
   94    HB2  CYS  11           1HB      CYS  11  -0.124  -0.076  -8.337
   95    HB3  CYS  11           2HB      CYS  11   1.305  -0.953  -7.821
   96    H    LEU  12           H        LEU  12   1.492  -2.950  -7.478
   97    HA   LEU  12           HA       LEU  12   3.239  -4.334  -7.179
   98    HB2  LEU  12           1HB      LEU  12   1.806  -5.817  -9.370
   99    HB3  LEU  12           2HB      LEU  12   2.991  -6.514  -8.277
  100    HG   LEU  12           HG       LEU  12   0.311  -5.365  -7.494
  101   HD11  LEU  12          1HD1      LEU  12   0.759  -7.765  -8.610
  102   HD12  LEU  12          2HD1      LEU  12   1.014  -8.153  -6.908
  103   HD13  LEU  12          3HD1      LEU  12  -0.514  -7.445  -7.432
  104   HD21  LEU  12          3HD2      LEU  12   1.805  -4.900  -5.715
  105   HD22  LEU  12          1HD2      LEU  12   0.899  -6.339  -5.252
  106   HD23  LEU  12          2HD2      LEU  12   2.555  -6.492  -5.838
  107    H    LYS  13           H        LYS  13   3.819  -2.207  -9.038
  108    HA   LYS  13           HA       LYS  13   5.741  -3.335 -10.897
  109    HB2  LYS  13           1HB      LYS  13   5.472  -0.459 -10.002
  110    HB3  LYS  13           2HB      LYS  13   6.301  -1.055 -11.432
  111    HG2  LYS  13           1HG      LYS  13   4.228  -1.673 -12.448
  112    HG3  LYS  13           2HG      LYS  13   3.330  -1.282 -10.981
  113    HD2  LYS  13           1HD      LYS  13   3.009   0.571 -12.335
  114    HD3  LYS  13           2HD      LYS  13   4.350   1.072 -11.310
  115    HE2  LYS  13           1HE      LYS  13   4.749   1.645 -13.608
  116    HE3  LYS  13           2HE      LYS  13   5.899   0.444 -13.067
  117    HZ1  LYS  13           3HZ      LYS  13   5.108  -1.080 -14.494
  118    HZ2  LYS  13           1HZ      LYS  13   4.542   0.275 -15.344
  119    HZ3  LYS  13           2HZ      LYS  13   3.495  -0.582 -14.317
  120    H    GLN  14           H        GLN  14   8.029  -2.039 -10.579
  121    HA   GLN  14           HA       GLN  14   9.180  -3.145  -8.219
  122    HB2  GLN  14           1HB      GLN  14  10.288  -2.651 -10.495
  123    HB3  GLN  14           2HB      GLN  14  10.452  -1.004  -9.921
  124    HG2  GLN  14           1HG      GLN  14  11.460  -3.217  -8.212
  125    HG3  GLN  14           2HG      GLN  14  12.370  -2.788  -9.651
  126   HE21  GLN  14          1HE2      GLN  14  10.998   0.041  -8.699
  127   HE22  GLN  14          2HE2      GLN  14  12.265   0.637  -7.688
  128    HA   PRO  15           HA       PRO  15   7.856   0.265  -5.662
  129    HB2  PRO  15           1HB      PRO  15   9.073  -1.156  -3.451
  130    HB3  PRO  15           2HB      PRO  15   7.367  -0.845  -3.765
  131    HG2  PRO  15           1HG      PRO  15   8.483  -3.321  -3.921
  132    HG3  PRO  15           2HG      PRO  15   7.076  -2.823  -4.877
  133    HD2  PRO  15           1HD      PRO  15   9.946  -3.038  -5.692
  134    HD3  PRO  15           2HD      PRO  15   8.479  -3.451  -6.604
  135    H    GLY  16           H        GLY  16   8.791   2.065  -4.892
  136    HA2  GLY  16           2HA      GLY  16  11.716   2.210  -4.878
  137    HA3  GLY  16           1HA      GLY  16  10.609   3.574  -4.784
  138    H    VAL  17           H        VAL  17  11.471   4.482  -2.934
  139    HA   VAL  17           HA       VAL  17  11.324   2.822  -0.501
  140    HB   VAL  17           HB       VAL  17  12.693   4.526   0.610
  141   HG11  VAL  17          1HG1      VAL  17  13.547   2.875  -1.599
  142   HG12  VAL  17          2HG1      VAL  17  14.608   4.270  -1.393
  143   HG13  VAL  17          3HG1      VAL  17  14.326   3.169  -0.044
  144   HG21  VAL  17          3HG2      VAL  17  12.190   6.556  -0.424
  145   HG22  VAL  17          1HG2      VAL  17  13.840   6.216  -0.948
  146   HG23  VAL  17          2HG2      VAL  17  12.487   5.916  -2.041
  147    H    GLN  18           H        GLN  18   9.570   4.999  -2.244
  148    HA   GLN  18           HA       GLN  18   8.538   6.765  -0.313
  149    HB2  GLN  18           1HB      GLN  18   6.937   5.686  -2.625
  150    HB3  GLN  18           2HB      GLN  18   6.829   7.269  -1.871
  151    HG2  GLN  18           1HG      GLN  18   9.174   6.294  -3.480
  152    HG3  GLN  18           2HG      GLN  18   7.863   7.289  -4.102
  153   HE21  GLN  18          1HE2      GLN  18   8.222   9.359  -4.163
  154   HE22  GLN  18          2HE2      GLN  18   9.371  10.229  -3.204
  155    H    THR  19           H        THR  19   7.091   6.503   1.262
  156    HA   THR  19           HA       THR  19   6.224   3.839   1.894
  157    HB   THR  19           HB       THR  19   5.266   6.253   3.388
  158    HG1  THR  19           HG1      THR  19   7.922   5.189   3.354
  159   HG21  THR  19          1HG2      THR  19   4.544   4.522   4.632
  160   HG22  THR  19          2HG2      THR  19   6.222   4.398   5.159
  161   HG23  THR  19          3HG2      THR  19   5.632   3.380   3.843
  162    H    GLY  20           H        GLY  20   4.204   2.972   1.797
  163    HA2  GLY  20           2HA      GLY  20   2.297   4.258   0.052
  164    HA3  GLY  20           1HA      GLY  20   2.130   2.677   0.795
  165    H    LEU  21           H        LEU  21   0.661   5.514   0.623
  166    HA   LEU  21           HA       LEU  21   0.047   5.778   3.460
  167    HB2  LEU  21           1HB      LEU  21  -0.501   7.553   1.095
  168    HB3  LEU  21           2HB      LEU  21  -1.135   7.865   2.698
  169    HG   LEU  21           HG       LEU  21   1.794   7.735   1.984
  170   HD11  LEU  21          1HD1      LEU  21   0.477  10.198   2.948
  171   HD12  LEU  21          2HD1      LEU  21   1.823   9.996   1.825
  172   HD13  LEU  21          3HD1      LEU  21   0.170   9.718   1.281
  173   HD21  LEU  21          3HD2      LEU  21   2.242   7.679   4.159
  174   HD22  LEU  21          1HD2      LEU  21   1.139   9.020   4.468
  175   HD23  LEU  21          2HD2      LEU  21   0.530   7.364   4.448
  176    H    LEU  22           H        LEU  22  -1.967   5.708   4.305
  177    HA   LEU  22           HA       LEU  22  -4.136   4.677   2.593
  178    HB2  LEU  22           1HB      LEU  22  -3.680   4.293   5.560
  179    HB3  LEU  22           2HB      LEU  22  -5.113   3.768   4.696
  180    HG   LEU  22           HG       LEU  22  -2.312   2.743   4.300
  181   HD11  LEU  22          1HD1      LEU  22  -4.164   2.121   6.258
  182   HD12  LEU  22          2HD1      LEU  22  -4.384   0.855   5.047
  183   HD13  LEU  22          3HD1      LEU  22  -2.794   1.126   5.760
  184   HD21  LEU  22          3HD2      LEU  22  -2.967   1.989   2.323
  185   HD22  LEU  22          1HD2      LEU  22  -4.260   1.081   3.108
  186   HD23  LEU  22          2HD2      LEU  22  -4.554   2.726   2.546
  187    H    CYS  23           H        CYS  23  -5.954   5.884   2.518
  188    HA   CYS  23           HA       CYS  23  -6.066   8.405   3.904
  189    HB2  CYS  23           1HB      CYS  23  -8.023   8.854   2.697
  190    HB3  CYS  23           2HB      CYS  23  -7.107   7.843   1.585
  191    H    GLU  24           H        GLU  24  -7.820   8.925   5.415
  192    HA   GLU  24           HA       GLU  24  -7.891   7.238   7.596
  193    HB2  GLU  24           1HB      GLU  24  -9.936   9.323   6.827
  194    HB3  GLU  24           2HB      GLU  24  -9.748   8.628   8.432
  195    HG2  GLU  24           1HG      GLU  24  -7.441   9.525   8.499
  196    HG3  GLU  24           2HG      GLU  24  -7.742  10.314   6.952
  197    H    LYS  25           H        LYS  25  -9.927   7.188   4.795
  198    HA   LYS  25           HA       LYS  25 -12.036   5.631   5.925
  199    HB2  LYS  25           1HB      LYS  25 -11.322   6.084   3.029
  200    HB3  LYS  25           2HB      LYS  25 -12.846   5.451   3.634
  201    HG2  LYS  25           1HG      LYS  25 -13.382   7.540   4.669
  202    HG3  LYS  25           2HG      LYS  25 -11.779   8.185   4.302
  203    HD2  LYS  25           1HD      LYS  25 -13.446   9.042   2.739
  204    HD3  LYS  25           2HD      LYS  25 -12.261   8.031   1.911
  205    HE2  LYS  25           1HE      LYS  25 -13.858   6.137   2.050
  206    HE3  LYS  25           2HE      LYS  25 -15.048   7.238   2.743
  207    HZ1  LYS  25           3HZ      LYS  25 -15.033   6.757   0.210
  208    HZ2  LYS  25           1HZ      LYS  25 -13.792   7.910   0.174
  209    HZ3  LYS  25           2HZ      LYS  25 -15.326   8.330   0.766
  210    H    CYS  26           H        CYS  26  -8.937   4.822   4.553
  211    HA   CYS  26           HA       CYS  26  -9.732   1.984   4.614
  212    HB2  CYS  26           1HB      CYS  26  -7.459   3.032   2.933
  213    HB3  CYS  26           2HB      CYS  26  -8.221   1.452   2.856
  214    H    ASP  27           H        ASP  27  -8.539   4.010   6.535
  215    HA   ASP  27           HA       ASP  27  -5.830   3.350   6.951
  216    HB2  ASP  27           1HB      ASP  27  -6.968   5.411   7.805
  217    HB3  ASP  27           2HB      ASP  27  -7.786   4.409   8.999
  218    H    GLY  28           H        GLY  28  -4.904   1.715   7.948
  219    HA2  GLY  28           2HA      GLY  28  -4.657   0.089   9.639
  220    HA3  GLY  28           1HA      GLY  28  -6.389   0.159   9.925
  221    H    LYS  29           H        LYS  29  -6.748  -0.042   6.917
  222    HA   LYS  29           HA       LYS  29  -7.087  -2.881   6.865
  223    HB2  LYS  29           1HB      LYS  29  -7.428  -0.840   4.657
  224    HB3  LYS  29           2HB      LYS  29  -7.987  -2.506   4.608
  225    HG2  LYS  29           1HG      LYS  29  -9.542  -2.073   6.410
  226    HG3  LYS  29           2HG      LYS  29  -8.941  -0.419   6.557
  227    HD2  LYS  29           1HD      LYS  29  -9.733   0.116   4.346
  228    HD3  LYS  29           2HD      LYS  29 -10.192  -1.562   4.064
  229    HE2  LYS  29           1HE      LYS  29 -12.150  -0.234   4.584
  230    HE3  LYS  29           2HE      LYS  29 -11.849  -1.407   5.863
  231    HZ1  LYS  29           3HZ      LYS  29 -10.861   0.347   7.195
  232    HZ2  LYS  29           1HZ      LYS  29 -12.442   0.752   6.750
  233    HZ3  LYS  29           2HZ      LYS  29 -11.134   1.477   5.961
  234    H    CYS  30           H        CYS  30  -5.818  -4.396   5.960
  235    HA   CYS  30           HA       CYS  30  -3.228  -3.734   4.916
  236    HB2  CYS  30           1HB      CYS  30  -3.478  -5.818   6.097
  237    HB3  CYS  30           2HB      CYS  30  -4.797  -6.317   5.047
  238    HA   PRO  31           HA       PRO  31  -4.789  -2.638   0.893
  239    HB2  PRO  31           1HB      PRO  31  -2.333  -2.831  -0.391
  240    HB3  PRO  31           2HB      PRO  31  -2.949  -1.400   0.437
  241    HG2  PRO  31           1HG      PRO  31  -1.052  -3.489   1.413
  242    HG3  PRO  31           2HG      PRO  31  -1.029  -1.736   1.682
  243    HD2  PRO  31           1HD      PRO  31  -1.858  -3.414   3.592
  244    HD3  PRO  31           2HD      PRO  31  -2.654  -1.846   3.340
  245    H    ILE  32           H        ILE  32  -2.681  -5.425   1.337
  246    HA   ILE  32           HA       ILE  32  -3.093  -6.522  -1.219
  247    HB   ILE  32           HB       ILE  32  -2.295  -8.008   1.283
  248   HG12  ILE  32          1HG1      ILE  32  -0.887  -5.963   0.705
  249   HG13  ILE  32          2HG1      ILE  32  -0.025  -7.493   0.810
  250   HG21  ILE  32          1HG2      ILE  32  -2.966  -9.439  -0.590
  251   HG22  ILE  32          2HG2      ILE  32  -1.788  -8.629  -1.624
  252   HG23  ILE  32          3HG2      ILE  32  -1.242  -9.581  -0.244
  253   HD11  ILE  32          3HD1      ILE  32   0.544  -7.466  -1.357
  254   HD12  ILE  32          1HD1      ILE  32  -0.995  -6.771  -1.867
  255   HD13  ILE  32          2HD1      ILE  32   0.261  -5.732  -1.195
  256    H    CYS  33           H        CYS  33  -4.632  -7.301   1.910
  257    HA   CYS  33           HA       CYS  33  -6.465  -9.047   0.409
  258    HB2  CYS  33           1HB      CYS  33  -6.518 -10.519   2.326
  259    HB3  CYS  33           2HB      CYS  33  -4.846 -10.222   1.861
  260    H    ASP  34           H        ASP  34  -6.435  -6.242   2.238
  261    HA   ASP  34           HA       ASP  34  -8.015  -4.984   3.269
  262    HB2  ASP  34           1HB      ASP  34  -9.340  -5.282   1.249
  263    HB3  ASP  34           2HB      ASP  34  -9.929  -6.836   1.831
  264    H    SER  35           H        SER  35  -7.161  -5.835   5.236
  265    HA   SER  35           HA       SER  35  -9.139  -7.120   6.894
  266    HB2  SER  35           1HB      SER  35  -8.071  -9.065   5.829
  267    HB3  SER  35           2HB      SER  35  -6.489  -8.484   6.344
  268    HG   SER  35           HG       SER  35  -8.280  -9.958   7.698
  269    H    TYR  36           H        TYR  36  -8.800  -6.745   9.066
  270    HA   TYR  36           HA       TYR  36  -6.693  -4.811   9.688
  271    HB2  TYR  36           1HB      TYR  36  -9.235  -5.625  11.077
  272    HB3  TYR  36           2HB      TYR  36  -7.993  -4.705  11.916
  273    HD1  TYR  36           HD1      TYR  36 -10.017  -4.598   8.777
  274    HD2  TYR  36           HD2      TYR  36  -8.105  -2.411  11.884
  275    HE1  TYR  36           HE1      TYR  36 -10.970  -2.512   7.890
  276    HE2  TYR  36           HE2      TYR  36  -9.049  -0.321  11.002
  277    HH   TYR  36           HH       TYR  36 -10.488   0.589   9.554
  278    H    VAL  37           H        VAL  37  -6.142  -7.738   9.397
  279    HA   VAL  37           HA       VAL  37  -5.579  -8.651  12.072
  280    HB   VAL  37           HB       VAL  37  -6.028 -10.154  10.045
  281   HG11  VAL  37          1HG1      VAL  37  -4.603 -10.309   8.360
  282   HG12  VAL  37          2HG1      VAL  37  -3.839  -8.853   8.994
  283   HG13  VAL  37          3HG1      VAL  37  -3.216 -10.440   9.444
  284   HG21  VAL  37          3HG2      VAL  37  -4.787 -11.949  10.967
  285   HG22  VAL  37          1HG2      VAL  37  -3.572 -10.857  11.634
  286   HG23  VAL  37          2HG2      VAL  37  -5.203 -10.877  12.304
  287    H    ARG  38           H        ARG  38  -3.227  -9.309  12.587
  288    HA   ARG  38           HA       ARG  38  -1.823  -7.049  13.115
  289    HB2  ARG  38           1HB      ARG  38  -0.671  -9.812  12.750
  290    HB3  ARG  38           2HB      ARG  38   0.173  -8.475  13.512
  291    HG2  ARG  38           1HG      ARG  38  -2.028  -8.481  15.006
  292    HG3  ARG  38           2HG      ARG  38  -2.000 -10.179  14.526
  293    HD2  ARG  38           1HD      ARG  38  -0.781 -10.108  16.529
  294    HD3  ARG  38           2HD      ARG  38   0.442 -10.181  15.261
  295    HE   ARG  38           HE       ARG  38  -0.123  -7.954  17.053
  296   HH11  ARG  38          2HH1      ARG  38   1.694  -9.097  14.264
  297   HH12  ARG  38          1HH1      ARG  38   2.698  -7.681  14.190
  298   HH21  ARG  38          2HH2      ARG  38   1.215  -6.090  16.940
  299   HH22  ARG  38          1HH2      ARG  38   2.411  -5.970  15.677
  300    HA   PRO  39           HA       PRO  39   0.271  -5.955   9.307
  301    HB2  PRO  39           1HB      PRO  39   1.652  -3.936  10.823
  302    HB3  PRO  39           2HB      PRO  39   0.353  -3.718   9.650
  303    HG2  PRO  39           1HG      PRO  39   0.099  -3.229  12.339
  304    HG3  PRO  39           2HG      PRO  39  -1.253  -3.623  11.262
  305    HD2  PRO  39           1HD      PRO  39   0.233  -5.391  13.166
  306    HD3  PRO  39           2HD      PRO  39  -1.504  -5.339  12.794
  307    H    LYS  40           H        LYS  40   2.509  -5.984   8.608
  308    HA   LYS  40           HA       LYS  40   4.407  -7.044  10.583
  309    HB2  LYS  40           1HB      LYS  40   3.035  -8.828   9.280
  310    HB3  LYS  40           2HB      LYS  40   4.068  -8.402   7.926
  311    HG2  LYS  40           1HG      LYS  40   5.201  -9.234  10.575
  312    HG3  LYS  40           2HG      LYS  40   4.723 -10.409   9.350
  313    HD2  LYS  40           1HD      LYS  40   6.256  -9.333   7.751
  314    HD3  LYS  40           2HD      LYS  40   6.761  -8.208   9.015
  315    HE2  LYS  40           1HE      LYS  40   7.543 -10.103  10.366
  316    HE3  LYS  40           2HE      LYS  40   7.067 -11.208   9.077
  317    HZ1  LYS  40           3HZ      LYS  40   9.175 -10.945   8.423
  318    HZ2  LYS  40           1HZ      LYS  40   9.387  -9.495   9.277
  319    HZ3  LYS  40           2HZ      LYS  40   8.635  -9.481   7.757
  320    H    ARG  41           H        ARG  41   4.003  -6.110   7.159
  321    HA   ARG  41           HA       ARG  41   6.726  -4.980   7.278
  322    HB2  ARG  41           1HB      ARG  41   6.744  -6.912   5.852
  323    HB3  ARG  41           2HB      ARG  41   5.303  -6.372   5.008
  324    HG2  ARG  41           1HG      ARG  41   6.578  -4.466   4.110
  325    HG3  ARG  41           2HG      ARG  41   8.025  -5.091   4.903
  326    HD2  ARG  41           1HD      ARG  41   8.034  -7.039   3.560
  327    HD3  ARG  41           2HD      ARG  41   6.405  -6.722   2.965
  328    HE   ARG  41           HE       ARG  41   8.047  -4.571   2.239
  329   HH11  ARG  41          2HH1      ARG  41   7.665  -7.982   1.509
  330   HH12  ARG  41          1HH1      ARG  41   8.263  -7.827  -0.113
  331   HH21  ARG  41          2HH2      ARG  41   8.771  -4.366   0.092
  332   HH22  ARG  41          1HH2      ARG  41   8.838  -5.763  -0.945
  333    H    LYS  42           H        LYS  42   6.951  -2.884   6.782
  334    HA   LYS  42           HA       LYS  42   4.675  -1.242   6.319
  335    HB2  LYS  42           1HB      LYS  42   6.763  -0.523   7.505
  336    HB3  LYS  42           2HB      LYS  42   7.586  -0.517   5.951
  337    HG2  LYS  42           1HG      LYS  42   5.947   1.167   5.155
  338    HG3  LYS  42           2HG      LYS  42   5.278   1.221   6.786
  339    HD2  LYS  42           1HD      LYS  42   8.141   1.834   6.064
  340    HD3  LYS  42           2HD      LYS  42   6.888   3.042   6.357
  341    HE2  LYS  42           1HE      LYS  42   6.623   2.234   8.640
  342    HE3  LYS  42           2HE      LYS  42   7.833   0.984   8.349
  343    HZ1  LYS  42           3HZ      LYS  42   9.390   2.420   8.934
  344    HZ2  LYS  42           1HZ      LYS  42   8.230   3.632   9.185
  345    HZ3  LYS  42           2HZ      LYS  42   8.955   3.453   7.660
  346    H    VAL  43           H        VAL  43   3.870  -0.372   4.536
  347    HA   VAL  43           HA       VAL  43   4.454  -1.629   2.052
  348    HB   VAL  43           HB       VAL  43   2.535   0.516   2.915
  349   HG11  VAL  43          1HG1      VAL  43   3.320   0.943   0.601
  350   HG12  VAL  43          2HG1      VAL  43   2.712  -0.649   0.153
  351   HG13  VAL  43          3HG1      VAL  43   1.597   0.590   0.729
  352   HG21  VAL  43          3HG2      VAL  43   1.674  -1.495   3.609
  353   HG22  VAL  43          1HG2      VAL  43   0.972  -1.376   1.996
  354   HG23  VAL  43          2HG2      VAL  43   2.388  -2.389   2.268
  355    H    ARG  44           H        ARG  44   5.545  -0.903   0.324
  356    HA   ARG  44           HA       ARG  44   6.361   1.914   0.260
  357    HB2  ARG  44           1HB      ARG  44   8.086  -0.392  -0.680
  358    HB3  ARG  44           2HB      ARG  44   8.469   1.314  -0.842
  359    HG2  ARG  44           1HG      ARG  44   8.410   1.459   1.665
  360    HG3  ARG  44           2HG      ARG  44   8.315  -0.302   1.680
  361    HD2  ARG  44           1HD      ARG  44  10.401  -0.226   0.186
  362    HD3  ARG  44           2HD      ARG  44  10.542   1.449   0.714
  363    HE   ARG  44           HE       ARG  44  10.238  -0.235   2.958
  364   HH11  ARG  44          2HH1      ARG  44  12.603   0.561   0.491
  365   HH12  ARG  44          1HH1      ARG  44  13.965   0.192   1.504
  366   HH21  ARG  44          2HH2      ARG  44  12.023  -0.761   4.265
  367   HH22  ARG  44          1HH2      ARG  44  13.640  -0.577   3.647
  368    H    VAL  45           H        VAL  45   5.787   2.902  -1.584
  369    HA   VAL  45           HA       VAL  45   4.439   1.276  -3.593
  370    HB   VAL  45           HB       VAL  45   3.581   3.389  -4.501
  371   HG11  VAL  45          1HG1      VAL  45   1.941   2.918  -3.081
  372   HG12  VAL  45          2HG1      VAL  45   3.076   2.348  -1.859
  373   HG13  VAL  45          3HG1      VAL  45   2.681   4.064  -1.961
  374   HG21  VAL  45          3HG2      VAL  45   4.938   5.159  -4.177
  375   HG22  VAL  45          1HG2      VAL  45   4.016   5.343  -2.685
  376   HG23  VAL  45          2HG2      VAL  45   5.578   4.525  -2.661
  377    H    CYS  46           H        CYS  46   4.794   1.592  -5.854
  378    HA   CYS  46           HA       CYS  46   7.528   1.594  -6.566
  379    HB2  CYS  46           1HB      CYS  46   6.840   1.123  -8.742
  380    HB3  CYS  46           2HB      CYS  46   5.523   0.472  -7.771
  381    H    GLU  47           H        GLU  47   8.672   3.038  -7.842
  382    HA   GLU  47           HA       GLU  47   8.605   5.686  -7.103
  383    HB2  GLU  47           1HB      GLU  47  10.484   4.419  -8.214
  384    HB3  GLU  47           2HB      GLU  47   9.660   4.675  -9.744
  385    HG2  GLU  47           1HG      GLU  47  11.285   6.342  -9.638
  386    HG3  GLU  47           2HG      GLU  47   9.774   7.145  -9.227
  387    H    ASN  48           H        ASN  48   7.107   4.173  -9.919
  388    HA   ASN  48           HA       ASN  48   6.388   6.409 -11.384
  389    HB2  ASN  48           1HB      ASN  48   5.041   3.726 -11.118
  390    HB3  ASN  48           2HB      ASN  48   4.492   4.951 -12.255
  391   HD21  ASN  48          1HD2      ASN  48   5.175   4.606 -14.223
  392   HD22  ASN  48          2HD2      ASN  48   6.686   3.880 -14.675
  393    H    CYS  49           H        CYS  49   4.568   4.823  -8.797
  394    HA   CYS  49           HA       CYS  49   2.261   6.423  -9.055
  395    HB2  CYS  49           1HB      CYS  49   3.326   4.656  -6.880
  396    HB3  CYS  49           2HB      CYS  49   1.881   5.625  -6.619
  397    H    SER  50           H        SER  50   5.296   7.010  -7.503
  398    HA   SER  50           HA       SER  50   4.191   9.045  -5.768
  399    HB2  SER  50           1HB      SER  50   5.923   7.744  -4.803
  400    HB3  SER  50           2HB      SER  50   6.996   8.021  -6.176
  401    HG   SER  50           HG       SER  50   6.043  10.031  -4.396
  402    H    PHE  51           H        PHE  51   6.584   8.981  -8.446
  403    HA   PHE  51           HA       PHE  51   6.789  11.786  -8.511
  404    HB2  PHE  51           1HB      PHE  51   7.929  11.574 -10.626
  405    HB3  PHE  51           2HB      PHE  51   8.506  10.356  -9.515
  406    HD1  PHE  51           HD2      PHE  51   5.713  10.532 -12.022
  407    HD2  PHE  51           HD1      PHE  51   9.128   8.463 -10.567
  408    HE1  PHE  51           HE2      PHE  51   5.424   8.831 -13.775
  409    HE2  PHE  51           HE1      PHE  51   8.853   6.765 -12.322
  410    HZ   PHE  51           HZ       PHE  51   6.998   6.947 -13.929
  411    H    GLY  52           H        GLY  52   4.374   9.682  -9.629
  412    HA2  GLY  52           2HA      GLY  52   3.140  11.447 -11.538
  413    HA3  GLY  52           1HA      GLY  52   2.403  10.039 -10.781
  414    H    LYS  53           H        LYS  53   1.199  12.601 -11.214
  415    HA   LYS  53           HA       LYS  53   1.230  14.388  -9.161
  416    HB2  LYS  53           1HB      LYS  53  -1.073  14.995  -9.808
  417    HB3  LYS  53           2HB      LYS  53  -0.009  14.786 -11.190
  418    HG2  LYS  53           1HG      LYS  53  -0.951  12.525 -11.528
  419    HG3  LYS  53           2HG      LYS  53  -2.068  12.826 -10.198
  420    HD2  LYS  53           1HD      LYS  53  -3.232  13.258 -12.237
  421    HD3  LYS  53           2HD      LYS  53  -2.915  14.809 -11.459
  422    HE2  LYS  53           1HE      LYS  53  -1.031  15.197 -12.934
  423    HE3  LYS  53           2HE      LYS  53  -1.253  13.613 -13.674
  424    HZ1  LYS  53           3HZ      LYS  53  -3.105  14.293 -14.800
  425    HZ2  LYS  53           1HZ      LYS  53  -2.218  15.738 -14.790
  426    HZ3  LYS  53           2HZ      LYS  53  -3.490  15.517 -13.690
  427    H    GLN  54           H        GLN  54  -0.547  11.334  -9.193
  428    HA   GLN  54           HA       GLN  54  -1.872  11.858  -6.686
  429    HB2  GLN  54           1HB      GLN  54  -2.631   9.491  -6.866
  430    HB3  GLN  54           2HB      GLN  54  -3.035  10.469  -8.268
  431    HG2  GLN  54           1HG      GLN  54  -0.602   8.719  -8.211
  432    HG3  GLN  54           2HG      GLN  54  -2.191   8.094  -8.648
  433   HE21  GLN  54          1HE2      GLN  54   0.591   9.210  -9.881
  434   HE22  GLN  54          2HE2      GLN  54   0.034   9.811 -11.412
  435    H    ALA  55           H        ALA  55   0.739  12.265  -6.193
  436    HA   ALA  55           HA       ALA  55   2.261  10.019  -5.502
  437    HB1  ALA  55           3HB      ALA  55   3.862  11.489  -4.956
  438    HB2  ALA  55           1HB      ALA  55   2.770  12.650  -5.719
  439    HB3  ALA  55           2HB      ALA  55   2.777  12.466  -3.965
  440    H    LYS  56           H        LYS  56   0.491  12.237  -3.328
  441    HA   LYS  56           HA       LYS  56   1.072  10.416  -1.128
  442    HB2  LYS  56           1HB      LYS  56  -0.177  13.164  -1.104
  443    HB3  LYS  56           2HB      LYS  56   0.296  12.245   0.314
  444    HG2  LYS  56           1HG      LYS  56   2.235  13.117  -1.815
  445    HG3  LYS  56           2HG      LYS  56   1.885  14.051  -0.362
  446    HD2  LYS  56           1HD      LYS  56   3.759  12.889   0.303
  447    HD3  LYS  56           2HD      LYS  56   2.479  11.814   0.865
  448    HE2  LYS  56           1HE      LYS  56   2.733  10.475  -1.183
  449    HE3  LYS  56           2HE      LYS  56   4.038  11.541  -1.704
  450    HZ1  LYS  56           3HZ      LYS  56   4.347  10.392   0.943
  451    HZ2  LYS  56           1HZ      LYS  56   5.488  10.592  -0.299
  452    HZ3  LYS  56           2HZ      LYS  56   4.409   9.284  -0.340
  453    H    ASN  57           H        ASN  57  -1.191  10.067  -3.227
  454    HA   ASN  57           HA       ASN  57  -3.486  10.156  -1.480
  455    HB2  ASN  57           1HB      ASN  57  -3.236   9.230  -4.338
  456    HB3  ASN  57           2HB      ASN  57  -4.727   9.148  -3.413
  457   HD21  ASN  57          1HD2      ASN  57  -3.579  10.796  -5.780
  458   HD22  ASN  57          2HD2      ASN  57  -4.140  12.386  -5.423
  459    H    CYS  58           H        CYS  58  -4.791   8.417  -1.025
  460    HA   CYS  58           HA       CYS  58  -3.608   6.318   0.306
  461    HB2  CYS  58           1HB      CYS  58  -5.851   7.167   0.712
  462    HB3  CYS  58           2HB      CYS  58  -6.376   6.609  -0.864
  463    H    ILE  59           H        ILE  59  -3.010   4.300  -0.201
  464    HA   ILE  59           HA       ILE  59  -2.677   3.681  -2.961
  465    HB   ILE  59           HB       ILE  59  -1.572   1.611  -2.133
  466   HG12  ILE  59          1HG1      ILE  59  -2.364   2.743   0.561
  467   HG13  ILE  59          2HG1      ILE  59  -2.830   1.183  -0.109
  468   HG21  ILE  59          1HG2      ILE  59  -0.839   4.370  -1.595
  469   HG22  ILE  59          2HG2      ILE  59  -0.015   3.232  -0.532
  470   HG23  ILE  59          3HG2      ILE  59   0.121   3.057  -2.281
  471   HD11  ILE  59          3HD1      ILE  59  -0.068   1.123  -0.141
  472   HD12  ILE  59          1HD1      ILE  59  -0.464   1.937   1.380
  473   HD13  ILE  59          2HD1      ILE  59  -1.130   0.335   1.029
  474    H    ILE  60           H        ILE  60  -4.869   2.586  -0.458
  475    HA   ILE  60           HA       ILE  60  -5.776   0.292  -1.872
  476    HB   ILE  60           HB       ILE  60  -6.991   1.782   0.450
  477   HG12  ILE  60          1HG1      ILE  60  -5.458  -0.817   0.222
  478   HG13  ILE  60          2HG1      ILE  60  -4.887   0.674   0.962
  479   HG21  ILE  60          1HG2      ILE  60  -8.373  -0.307   0.730
  480   HG22  ILE  60          2HG2      ILE  60  -8.826   0.729  -0.624
  481   HG23  ILE  60          3HG2      ILE  60  -7.899  -0.745  -0.911
  482   HD11  ILE  60          3HD1      ILE  60  -5.992  -1.419   2.294
  483   HD12  ILE  60          1HD1      ILE  60  -5.911   0.238   2.894
  484   HD13  ILE  60          2HD1      ILE  60  -7.376  -0.342   2.103
  485    H    CYS  61           H        CYS  61  -7.213   3.556  -1.442
  486    HA   CYS  61           HA       CYS  61  -9.080   2.786  -3.568
  487    HB2  CYS  61           1HB      CYS  61 -10.633   4.436  -2.768
  488    HB3  CYS  61           2HB      CYS  61 -10.135   3.424  -1.421
  489    H    ASN  62           H        ASN  62  -6.272   4.049  -3.467
  490    HA   ASN  62           HA       ASN  62  -4.969   5.366  -4.673
  491    HB2  ASN  62           1HB      ASN  62  -5.508   5.507  -7.117
  492    HB3  ASN  62           2HB      ASN  62  -5.423   3.902  -6.412
  493   HD21  ASN  62          1HD2      ASN  62  -7.193   6.025  -8.281
  494   HD22  ASN  62          2HD2      ASN  62  -8.667   5.121  -8.385
  495    H    LEU  63           H        LEU  63  -8.237   6.757  -4.799
  496    HA   LEU  63           HA       LEU  63  -7.071   9.160  -5.861
  497    HB2  LEU  63           1HB      LEU  63  -9.604   9.894  -5.610
  498    HB3  LEU  63           2HB      LEU  63  -8.951   9.039  -6.994
  499    HG   LEU  63           HG       LEU  63  -9.758   6.915  -6.035
  500   HD11  LEU  63          1HD1      LEU  63 -11.402   8.375  -4.067
  501   HD12  LEU  63          2HD1      LEU  63 -10.713   6.750  -3.996
  502   HD13  LEU  63          3HD1      LEU  63  -9.682   8.158  -3.702
  503   HD21  LEU  63          3HD2      LEU  63 -11.769   7.206  -6.991
  504   HD22  LEU  63          1HD2      LEU  63 -12.177   8.575  -5.958
  505   HD23  LEU  63          2HD2      LEU  63 -11.148   8.812  -7.368
  506    H    ASN  64           H        ASN  64  -8.835   8.382  -2.894
  507    HA   ASN  64           HA       ASN  64  -8.732  11.013  -1.844
  508    HB2  ASN  64           1HB      ASN  64  -9.083   8.334  -0.488
  509    HB3  ASN  64           2HB      ASN  64  -9.152   9.857   0.383
  510   HD21  ASN  64          1HD2      ASN  64 -10.395  10.558  -2.545
  511   HD22  ASN  64          2HD2      ASN  64 -12.071  10.246  -2.231
  512    H    VAL  65           H        VAL  65  -7.174  12.056  -0.682
  513    HA   VAL  65           HA       VAL  65  -4.538  11.235  -0.793
  514    HB   VAL  65           HB       VAL  65  -5.188  13.572  -0.544
  515   HG11  VAL  65          1HG1      VAL  65  -6.677  12.593   1.580
  516   HG12  VAL  65          2HG1      VAL  65  -5.457  13.636   2.308
  517   HG13  VAL  65          3HG1      VAL  65  -6.532  14.272   1.062
  518   HG21  VAL  65          3HG2      VAL  65  -2.895  12.825   0.037
  519   HG22  VAL  65          1HG2      VAL  65  -3.405  14.268   0.913
  520   HG23  VAL  65          2HG2      VAL  65  -3.401  12.700   1.722
  521    H    GLY  66           H        GLY  66  -3.169  10.149   0.500
  522    HA2  GLY  66           2HA      GLY  66  -4.352   8.575   2.640
  523    HA3  GLY  66           1HA      GLY  66  -2.755   8.361   1.940
  524    H    VAL  67           H        VAL  67  -3.726   8.577   4.764
  525    HA   VAL  67           HA       VAL  67  -2.075  10.878   5.569
  526    HB   VAL  67           HB       VAL  67  -3.430  10.884   7.687
  527   HG11  VAL  67          1HG1      VAL  67  -4.345  11.655   4.995
  528   HG12  VAL  67          2HG1      VAL  67  -5.575  11.674   6.257
  529   HG13  VAL  67          3HG1      VAL  67  -4.111  12.638   6.438
  530   HG21  VAL  67          3HG2      VAL  67  -4.987   9.343   8.091
  531   HG22  VAL  67          1HG2      VAL  67  -5.773   9.666   6.550
  532   HG23  VAL  67          2HG2      VAL  67  -4.458   8.494   6.640
  533    H    ASN  68           H        ASN  68  -2.974   7.531   6.442
  534    HA   ASN  68           HA       ASN  68  -0.534   7.465   8.105
  535    HB2  ASN  68           1HB      ASN  68  -3.096   5.892   8.380
  536    HB3  ASN  68           2HB      ASN  68  -1.610   5.450   9.216
  537   HD21  ASN  68          1HD2      ASN  68  -4.345   6.508  10.050
  538   HD22  ASN  68          2HD2      ASN  68  -3.954   7.813  11.126
  539    H    ASP  69           H        ASP  69   0.965   5.914   7.785
  540    HA   ASP  69           HA       ASP  69   1.164   4.747   5.215
  541    HB2  ASP  69           1HB      ASP  69   2.710   3.844   7.656
  542    HB3  ASP  69           2HB      ASP  69   3.211   3.768   5.973
  543    H    ALA  70           H        ALA  70   0.791   2.787   4.449
  544    HA   ALA  70           HA       ALA  70  -0.891   0.992   5.975
  545    HB1  ALA  70           3HB      ALA  70  -0.077   1.250   3.136
  546    HB2  ALA  70           1HB      ALA  70  -0.575  -0.339   3.715
  547    HB3  ALA  70           2HB      ALA  70  -1.679   1.033   3.840
  548    H    PHE  71           H        PHE  71  -0.432  -1.220   6.253
  549    HA   PHE  71           HA       PHE  71   2.359  -2.022   5.905
  550    HB2  PHE  71           1HB      PHE  71   0.745  -2.262   8.439
  551    HB3  PHE  71           2HB      PHE  71   2.065  -3.368   8.088
  552    HD1  PHE  71           HD1      PHE  71   1.482   0.335   8.048
  553    HD2  PHE  71           HD2      PHE  71   4.058  -2.898   9.068
  554    HE1  PHE  71           HE1      PHE  71   3.099   1.925   8.998
  555    HE2  PHE  71           HE2      PHE  71   5.678  -1.307  10.019
  556    HZ   PHE  71           HZ       PHE  71   5.198   1.105   9.984
  557    H    TYR  72           H        TYR  72   2.593  -4.025   5.104
  558    HA   TYR  72           HA       TYR  72   0.291  -5.501   4.220
  559    HB2  TYR  72           1HB      TYR  72   3.142  -6.498   4.393
  560    HB3  TYR  72           2HB      TYR  72   1.850  -7.130   3.383
  561    HD1  TYR  72           HD1      TYR  72   1.010  -5.708   1.466
  562    HD2  TYR  72           HD2      TYR  72   4.567  -4.800   3.616
  563    HE1  TYR  72           HE1      TYR  72   1.791  -4.330  -0.415
  564    HE2  TYR  72           HE2      TYR  72   5.350  -3.416   1.746
  565    HH   TYR  72           HH       TYR  72   4.034  -3.523  -1.312
  566    H    CYS  73           H        CYS  73  -0.790  -6.973   5.374
  567    HA   CYS  73           HA       CYS  73  -0.173  -7.333   8.100
  568    HB2  CYS  73           1HB      CYS  73  -2.188  -8.488   8.288
  569    HB3  CYS  73           2HB      CYS  73  -2.477  -7.395   6.942
  570    H    TRP  74           H        TRP  74   0.169  -9.313   9.212
  571    HA   TRP  74           HA       TRP  74   2.417 -10.673   8.675
  572    HB2  TRP  74           1HB      TRP  74   1.421 -10.907  10.781
  573    HB3  TRP  74           2HB      TRP  74  -0.060 -11.557  10.118
  574    HD1  TRP  74           HD1      TRP  74  -0.214 -13.865  11.088
  575    HE1  TRP  74           HE1      TRP  74   1.295 -15.959  11.222
  576    HE3  TRP  74           HE3      TRP  74   4.033 -11.886   9.098
  577    HZ2  TRP  74           HZ2      TRP  74   3.958 -16.650  10.556
  578    HZ3  TRP  74           HZ3      TRP  74   6.024 -13.317   8.877
  579    HH2  TRP  74           HH2      TRP  74   5.984 -15.650   9.587
  580    H    GLU  75           H        GLU  75  -0.744 -12.113   8.035
  581    HA   GLU  75           HA       GLU  75   0.291 -14.393   6.882
  582    HB2  GLU  75           1HB      GLU  75  -2.019 -14.685   5.862
  583    HB3  GLU  75           2HB      GLU  75  -1.926 -14.550   7.610
  584    HG2  GLU  75           1HG      GLU  75  -2.615 -12.217   7.463
  585    HG3  GLU  75           2HG      GLU  75  -2.690 -12.350   5.705
  586    H    CYS  76           H        CYS  76  -0.535 -11.357   5.305
  587    HA   CYS  76           HA       CYS  76  -0.262 -12.281   2.635
  588    HB2  CYS  76           1HB      CYS  76  -0.085  -9.572   3.904
  589    HB3  CYS  76           2HB      CYS  76   0.353  -9.791   2.214
  590    H    CYS  77           H        CYS  77   2.032 -11.159   5.042
  591    HA   CYS  77           HA       CYS  77   4.278 -11.093   3.262
  592    HB2  CYS  77           1HB      CYS  77   4.123 -11.237   6.280
  593    HB3  CYS  77           2HB      CYS  77   5.618 -11.029   5.371
  594    HG   CYS  77           HG       CYS  77   4.662  -8.614   4.157
  595    H    ARG  78           H        ARG  78   2.837 -13.458   5.413
  596    HA   ARG  78           HA       ARG  78   4.788 -15.498   5.173
  597    HB2  ARG  78           1HB      ARG  78   2.918 -15.368   6.862
  598    HB3  ARG  78           2HB      ARG  78   1.800 -15.799   5.584
  599    HG2  ARG  78           1HG      ARG  78   4.100 -17.602   6.162
  600    HG3  ARG  78           2HG      ARG  78   2.715 -17.593   7.253
  601    HD2  ARG  78           1HD      ARG  78   1.899 -19.144   5.840
  602    HD3  ARG  78           2HD      ARG  78   1.468 -17.745   4.857
  603    HE   ARG  78           HE       ARG  78   4.113 -18.646   4.303
  604   HH11  ARG  78          2HH1      ARG  78   0.730 -19.353   3.662
  605   HH12  ARG  78          1HH1      ARG  78   1.059 -20.126   2.139
  606   HH21  ARG  78          2HH2      ARG  78   4.540 -19.643   2.317
  607   HH22  ARG  78          1HH2      ARG  78   3.227 -20.282   1.366
  608    H    LEU  79           H        LEU  79   1.778 -14.826   3.447
  609    HA   LEU  79           HA       LEU  79   1.862 -16.902   1.563
  610    HB2  LEU  79           1HB      LEU  79   0.654 -14.144   1.414
  611    HB3  LEU  79           2HB      LEU  79   0.368 -15.396   0.223
  612    HG   LEU  79           HG       LEU  79  -0.332 -15.667   3.146
  613   HD11  LEU  79          1HD1      LEU  79  -1.635 -13.872   2.159
  614   HD12  LEU  79          2HD1      LEU  79  -2.082 -14.915   0.809
  615   HD13  LEU  79          3HD1      LEU  79  -2.650 -15.287   2.438
  616   HD21  LEU  79          3HD2      LEU  79  -0.778 -17.782   2.666
  617   HD22  LEU  79          1HD2      LEU  79  -1.856 -17.284   1.361
  618   HD23  LEU  79          2HD2      LEU  79  -0.139 -17.534   1.041
  619    H    GLY  80           H        GLY  80   3.391 -13.762   1.619
  620    HA2  GLY  80           2HA      GLY  80   5.161 -13.000   0.318
  621    HA3  GLY  80           1HA      GLY  80   5.059 -14.471  -0.642
  622    H    LYS  81           H        LYS  81   2.562 -12.091   0.122
  623    HA   LYS  81           HA       LYS  81   2.059 -11.783  -2.746
  624    HB2  LYS  81           1HB      LYS  81   0.457 -11.042  -0.299
  625    HB3  LYS  81           2HB      LYS  81   0.011 -10.523  -1.918
  626    HG2  LYS  81           1HG      LYS  81  -0.128 -12.890  -2.603
  627    HG3  LYS  81           2HG      LYS  81   0.220 -13.361  -0.938
  628    HD2  LYS  81           1HD      LYS  81  -1.794 -12.347  -0.156
  629    HD3  LYS  81           2HD      LYS  81  -2.098 -11.610  -1.731
  630    HE2  LYS  81           1HE      LYS  81  -2.062 -14.569  -1.146
  631    HE3  LYS  81           2HE      LYS  81  -3.507 -13.580  -1.357
  632    HZ1  LYS  81           3HZ      LYS  81  -1.419 -13.886  -3.447
  633    HZ2  LYS  81           1HZ      LYS  81  -2.957 -13.191  -3.619
  634    HZ3  LYS  81           2HZ      LYS  81  -2.801 -14.859  -3.362
  635    H    ASP  82           H        ASP  82   3.146 -10.102   0.072
  636    HA   ASP  82           HA       ASP  82   3.004  -7.456  -0.917
  637    HB2  ASP  82           1HB      ASP  82   4.574  -6.918   0.924
  638    HB3  ASP  82           2HB      ASP  82   3.184  -7.849   1.459
  639    H    LYS  83           H        LYS  83   5.342 -10.016  -1.220
  640    HA   LYS  83           HA       LYS  83   7.543  -8.466  -1.966
  641    HB2  LYS  83           1HB      LYS  83   8.512 -10.541  -2.871
  642    HB3  LYS  83           2HB      LYS  83   7.826 -10.768  -1.272
  643    HG2  LYS  83           1HG      LYS  83   7.171 -12.673  -2.415
  644    HG3  LYS  83           2HG      LYS  83   5.745 -11.639  -2.514
  645    HD2  LYS  83           1HD      LYS  83   6.532 -10.907  -4.774
  646    HD3  LYS  83           2HD      LYS  83   7.810 -12.119  -4.662
  647    HE2  LYS  83           1HE      LYS  83   6.217 -13.897  -4.580
  648    HE3  LYS  83           2HE      LYS  83   4.876 -12.760  -4.423
  649    HZ1  LYS  83           3HZ      LYS  83   6.647 -12.732  -6.794
  650    HZ2  LYS  83           1HZ      LYS  83   5.077 -12.101  -6.638
  651    HZ3  LYS  83           2HZ      LYS  83   5.314 -13.779  -6.701
  652    H    ASP  84           H        ASP  84   4.720  -9.210  -3.739
  653    HA   ASP  84           HA       ASP  84   5.799  -9.211  -6.338
  654    HB2  ASP  84           1HB      ASP  84   3.267  -9.562  -5.280
  655    HB3  ASP  84           2HB      ASP  84   3.120  -8.069  -6.207
  656    H    GLY  85           H        GLY  85   4.562  -6.589  -4.299
  657    HA2  GLY  85           2HA      GLY  85   6.312  -4.741  -4.662
  658    HA3  GLY  85           1HA      GLY  85   5.618  -4.674  -6.268
  659    H    CYS  86           H        CYS  86   4.763  -2.793  -6.353
  660    HA   CYS  86           HA       CYS  86   3.757  -1.209  -4.328
  661    HB2  CYS  86           1HB      CYS  86   4.587  -0.546  -6.583
  662    HB3  CYS  86           2HB      CYS  86   3.091  -1.142  -7.278
  663    HA   PRO  87           HA       PRO  87  -0.277  -3.194  -3.957
  664    HB2  PRO  87           1HB      PRO  87  -0.832  -2.409  -1.483
  665    HB3  PRO  87           2HB      PRO  87   0.445  -3.593  -1.795
  666    HG2  PRO  87           1HG      PRO  87   0.674  -0.665  -1.231
  667    HG3  PRO  87           2HG      PRO  87   1.652  -2.005  -0.608
  668    HD2  PRO  87           1HD      PRO  87   2.376  -0.371  -2.722
  669    HD3  PRO  87           2HD      PRO  87   3.017  -2.003  -2.437
  670    H    ARG  88           H        ARG  88  -0.195  -0.788  -5.488
  671    HA   ARG  88           HA       ARG  88  -2.416   0.765  -4.365
  672    HB2  ARG  88           1HB      ARG  88  -0.381   1.336  -6.467
  673    HB3  ARG  88           2HB      ARG  88  -1.949   2.128  -6.572
  674    HG2  ARG  88           1HG      ARG  88  -1.518   2.763  -4.110
  675    HG3  ARG  88           2HG      ARG  88   0.167   2.399  -4.489
  676    HD2  ARG  88           1HD      ARG  88   0.231   4.040  -6.192
  677    HD3  ARG  88           2HD      ARG  88  -1.519   4.247  -6.152
  678    HE   ARG  88           HE       ARG  88  -0.610   4.901  -3.633
  679   HH11  ARG  88          2HH1      ARG  88  -0.214   6.046  -6.912
  680   HH12  ARG  88          1HH1      ARG  88   0.122   7.684  -6.425
  681   HH21  ARG  88          2HH2      ARG  88  -0.240   7.072  -3.003
  682   HH22  ARG  88          1HH2      ARG  88   0.096   8.260  -4.223
  683    H    ILE  89           H        ILE  89  -4.424   0.498  -5.089
  684    HA   ILE  89           HA       ILE  89  -4.977  -1.458  -7.125
  685    HB   ILE  89           HB       ILE  89  -6.850   0.479  -5.750
  686   HG12  ILE  89          1HG1      ILE  89  -5.752  -1.019  -4.147
  687   HG13  ILE  89          2HG1      ILE  89  -7.452  -1.443  -4.318
  688   HG21  ILE  89          1HG2      ILE  89  -8.573  -1.263  -6.416
  689   HG22  ILE  89          2HG2      ILE  89  -7.933  -0.250  -7.709
  690   HG23  ILE  89          3HG2      ILE  89  -7.352  -1.903  -7.516
  691   HD11  ILE  89          3HD1      ILE  89  -5.207  -3.115  -4.581
  692   HD12  ILE  89          1HD1      ILE  89  -6.905  -3.523  -4.826
  693   HD13  ILE  89          2HD1      ILE  89  -5.928  -2.965  -6.185
  694    H    LEU  90           H        LEU  90  -4.735  -0.998  -9.233
  695    HA   LEU  90           HA       LEU  90  -5.942   1.389 -10.334
  696    HB2  LEU  90           1HB      LEU  90  -3.732   1.995 -11.497
  697    HB3  LEU  90           2HB      LEU  90  -3.992   2.492  -9.840
  698    HG   LEU  90           HG       LEU  90  -2.599   0.580  -9.080
  699   HD11  LEU  90          1HD1      LEU  90  -2.608  -0.011 -11.967
  700   HD12  LEU  90          2HD1      LEU  90  -1.056  -0.178 -11.146
  701   HD13  LEU  90          3HD1      LEU  90  -2.457  -1.096 -10.582
  702   HD21  LEU  90          3HD2      LEU  90  -1.273   2.452 -11.034
  703   HD22  LEU  90          1HD2      LEU  90  -1.662   2.819  -9.353
  704   HD23  LEU  90          2HD2      LEU  90  -0.473   1.572  -9.732
  705    H    ASN  91           H        ASN  91  -5.243  -1.829 -10.724
  706    HA   ASN  91           HA       ASN  91  -4.886  -1.768 -13.591
  707    HB2  ASN  91           1HB      ASN  91  -5.488  -4.087 -11.746
  708    HB3  ASN  91           2HB      ASN  91  -5.256  -4.239 -13.482
  709   HD21  ASN  91          1HD2      ASN  91  -3.795  -5.491 -11.392
  710   HD22  ASN  91          2HD2      ASN  91  -2.151  -5.002 -11.556
  711    H    LEU  92           H        LEU  92  -7.078  -4.188 -12.956
  712    HA   LEU  92           HA       LEU  92  -9.525  -2.791 -13.045
  713    HB2  LEU  92           1HB      LEU  92  -8.199  -2.649 -15.432
  714    HB3  LEU  92           2HB      LEU  92  -9.163  -4.097 -15.656
  715    HG   LEU  92           HG       LEU  92 -11.200  -2.769 -15.075
  716   HD11  LEU  92          1HD1      LEU  92 -10.866  -0.840 -14.018
  717   HD12  LEU  92          2HD1      LEU  92  -9.161  -0.799 -14.479
  718   HD13  LEU  92          3HD1      LEU  92 -10.390  -0.173 -15.582
  719   HD21  LEU  92          3HD2      LEU  92  -9.559  -2.565 -17.453
  720   HD22  LEU  92          1HD2      LEU  92 -11.303  -2.777 -17.298
  721   HD23  LEU  92          2HD2      LEU  92 -10.603  -1.159 -17.246
  722    H    GLY  93           H        GLY  93 -11.014  -4.193 -12.352
  723    HA2  GLY  93           2HA      GLY  93 -11.332  -6.835 -13.251
  724    HA3  GLY  93           1HA      GLY  93 -10.391  -6.866 -11.766
  725    H    SER  94           H        SER  94 -11.853  -7.733 -10.371
  726    HA   SER  94           HA       SER  94 -14.603  -7.030 -10.343
  727    HB2  SER  94           1HB      SER  94 -12.997  -8.264  -8.088
  728    HB3  SER  94           2HB      SER  94 -14.739  -8.378  -8.341
  729    HG   SER  94           HG       SER  94 -12.638  -9.590  -9.791
  730    H    ASN  95           H        ASN  95 -15.416  -5.208  -9.738
  731    HA   ASN  95           HA       ASN  95 -15.204  -3.953  -7.287
  732    HB2  ASN  95           1HB      ASN  95 -12.897  -3.321  -7.954
  733    HB3  ASN  95           2HB      ASN  95 -13.528  -2.570  -9.414
  734   HD21  ASN  95          1HD2      ASN  95 -12.598  -2.064  -6.268
  735   HD22  ASN  95          2HD2      ASN  95 -13.308  -0.507  -6.014
  736    H    ARG  96           H        ARG  96 -15.448  -3.547 -10.714
  737    HA   ARG  96           HA       ARG  96 -18.194  -2.729 -10.450
  738    HB2  ARG  96           1HB      ARG  96 -18.007  -0.926 -12.121
  739    HB3  ARG  96           2HB      ARG  96 -17.097  -0.550 -10.670
  740    HG2  ARG  96           1HG      ARG  96 -15.768   0.144 -12.490
  741    HG3  ARG  96           2HG      ARG  96 -15.038  -1.348 -11.899
  742    HD2  ARG  96           1HD      ARG  96 -15.156  -1.257 -14.365
  743    HD3  ARG  96           2HD      ARG  96 -16.060  -2.620 -13.679
  744    HE   ARG  96           HE       ARG  96 -17.770  -0.382 -14.043
  745   HH11  ARG  96          2HH1      ARG  96 -15.997  -2.743 -15.914
  746   HH12  ARG  96          1HH1      ARG  96 -17.227  -2.912 -17.135
  747   HH21  ARG  96          2HH2      ARG  96 -19.403  -0.580 -15.651
  748   HH22  ARG  96          1HH2      ARG  96 -19.151  -1.657 -16.997
  749    H    LEU  97           H        LEU  97 -19.424  -3.453 -12.206
  750    HA   LEU  97           HA       LEU  97 -18.571  -4.278 -14.680
  751    HB2  LEU  97           1HB      LEU  97 -18.014  -6.315 -12.606
  752    HB3  LEU  97           2HB      LEU  97 -18.788  -6.896 -14.070
  753    HG   LEU  97           HG       LEU  97 -16.301  -5.205 -14.204
  754   HD11  LEU  97          1HD1      LEU  97 -15.507  -7.842 -14.571
  755   HD12  LEU  97          2HD1      LEU  97 -15.137  -6.804 -13.192
  756   HD13  LEU  97          3HD1      LEU  97 -16.529  -7.886 -13.134
  757   HD21  LEU  97          3HD2      LEU  97 -18.029  -6.262 -16.113
  758   HD22  LEU  97          1HD2      LEU  97 -16.412  -5.617 -16.391
  759   HD23  LEU  97          2HD2      LEU  97 -16.639  -7.346 -16.130
  760    H    ASP  98           H        ASP  98 -20.687  -4.515 -12.044
  761    HA   ASP  98           HA       ASP  98 -22.919  -4.846 -11.825
  762    HB2  ASP  98           1HB      ASP  98 -23.026  -3.159 -13.650
  763    HB3  ASP  98           2HB      ASP  98 -23.005  -4.467 -14.827
  764    H    ARG  99           H        ARG  99 -21.439  -7.042 -11.760
  765    HA   ARG  99           HA       ARG  99 -23.218  -9.090 -12.820
  766    HB2  ARG  99           1HB      ARG  99 -20.240  -9.021 -13.368
  767    HB3  ARG  99           2HB      ARG  99 -21.245 -10.444 -13.595
  768    HG2  ARG  99           1HG      ARG  99 -22.514  -9.329 -15.313
  769    HG3  ARG  99           2HG      ARG  99 -21.628  -7.828 -15.034
  770    HD2  ARG  99           1HD      ARG  99 -19.538  -9.006 -15.663
  771    HD3  ARG  99           2HD      ARG  99 -20.499 -10.432 -16.050
  772    HE   ARG  99           HE       ARG  99 -20.154  -8.093 -17.659
  773   HH11  ARG  99          2HH1      ARG  99 -22.377 -10.714 -16.936
  774   HH12  ARG  99          1HH1      ARG  99 -23.227 -10.566 -18.449
  775   HH21  ARG  99          2HH2      ARG  99 -21.251  -7.907 -19.617
  776   HH22  ARG  99          1HH2      ARG  99 -22.594  -8.952 -19.971
  777    H    HIS 100           H        HIS 100 -21.093 -11.095 -12.158
  778    HA   HIS 100           HA       HIS 100 -20.520 -12.429 -10.415
  779    HB2  HIS 100           1HB      HIS 100 -19.026 -10.400 -10.069
  780    HB3  HIS 100           2HB      HIS 100 -20.170  -9.871  -8.844
  781    HD1  HIS 100           HD1      HIS 100 -18.265 -13.110  -9.541
  782    HD2  HIS 100           HD2      HIS 100 -19.303 -10.587  -6.395
  783    HE1  HIS 100           HE1      HIS 100 -17.256 -14.141  -7.474
  784    HE2  HIS 100           HE2      HIS 100 -17.952 -12.642  -5.574
  785    H    PHE 101           H        PHE 101 -23.286 -11.950 -10.736
  786    HA   PHE 101           HA       PHE 101 -25.236 -12.514  -9.718
  787    HB2  PHE 101           1HB      PHE 101 -23.979 -14.188  -8.466
  788    HB3  PHE 101           2HB      PHE 101 -23.534 -12.977  -7.276
  789    HD1  PHE 101           HD1      PHE 101 -26.733 -14.040  -8.878
  790    HD2  PHE 101           HD2      PHE 101 -24.598 -13.282  -5.278
  791    HE1  PHE 101           HE1      PHE 101 -28.747 -14.579  -7.576
  792    HE2  PHE 101           HE2      PHE 101 -26.608 -13.823  -3.967
  793    HZ   PHE 101           HZ       PHE 101 -28.688 -14.470  -5.117
  794    H    GLU 102           H        GLU 102 -23.190 -10.167  -8.188
  795    HA   GLU 102           HA       GLU 102 -24.857  -9.018  -6.323
  796    HB2  GLU 102           1HB      GLU 102 -22.483  -8.467  -6.597
  797    HB3  GLU 102           2HB      GLU 102 -22.842  -7.639  -8.105
  798    HG2  GLU 102           1HG      GLU 102 -24.226  -6.030  -6.866
  799    HG3  GLU 102           2HG      GLU 102 -23.792  -6.843  -5.361
  800    H    LYS 103           H        LYS 103 -26.554  -7.739  -6.325
  801    HA   LYS 103           HA       LYS 103 -28.271  -6.404  -6.941
  802    HB2  LYS 103           1HB      LYS 103 -26.616  -5.857  -9.406
  803    HB3  LYS 103           2HB      LYS 103 -28.121  -5.037  -9.018
  804    HG2  LYS 103           1HG      LYS 103 -25.562  -4.950  -7.431
  805    HG3  LYS 103           2HG      LYS 103 -26.249  -3.650  -8.406
  806    HD2  LYS 103           1HD      LYS 103 -27.472  -4.859  -5.924
  807    HD3  LYS 103           2HD      LYS 103 -26.686  -3.284  -6.037
  808    HE2  LYS 103           1HE      LYS 103 -29.170  -4.116  -7.530
  809    HE3  LYS 103           2HE      LYS 103 -29.139  -3.106  -6.086
  810    HZ1  LYS 103           3HZ      LYS 103 -27.578  -1.637  -7.511
  811    HZ2  LYS 103           1HZ      LYS 103 -29.253  -1.570  -7.771
  812    HZ3  LYS 103           2HZ      LYS 103 -28.271  -2.461  -8.825
  813    H    LYS 104           H        LYS 104 -27.100  -8.259  -9.729
  814    HA   LYS 104           HA       LYS 104 -29.747  -8.621 -10.772
  815    HB2  LYS 104           1HB      LYS 104 -27.083  -9.826 -11.525
  816    HB3  LYS 104           2HB      LYS 104 -28.580 -10.136 -12.397
  817    HG2  LYS 104           1HG      LYS 104 -28.779  -7.801 -12.972
  818    HG3  LYS 104           2HG      LYS 104 -27.357  -7.411 -12.005
  819    HD2  LYS 104           1HD      LYS 104 -25.958  -8.733 -13.482
  820    HD3  LYS 104           2HD      LYS 104 -27.374  -9.226 -14.414
  821    HE2  LYS 104           1HE      LYS 104 -27.763  -6.968 -15.124
  822    HE3  LYS 104           2HE      LYS 104 -26.489  -6.369 -14.066
  823    HZ1  LYS 104           3HZ      LYS 104 -26.174  -6.943 -16.667
  824    HZ2  LYS 104           1HZ      LYS 104 -25.633  -8.383 -15.954
  825    HZ3  LYS 104           2HZ      LYS 104 -24.913  -6.908 -15.534
  826    H    LYS 105           H        LYS 105 -28.687 -11.507 -11.463
  827    HA   LYS 105           HA       LYS 105 -28.973 -12.986  -9.063
  828    HB2  LYS 105           1HB      LYS 105 -31.151 -14.040  -9.536
  829    HB3  LYS 105           2HB      LYS 105 -31.310 -12.321  -9.214
  830    HG2  LYS 105           1HG      LYS 105 -31.116 -13.279 -12.035
  831    HG3  LYS 105           2HG      LYS 105 -32.637 -13.430 -11.158
  832    HD2  LYS 105           1HD      LYS 105 -31.144 -10.825 -11.347
  833    HD3  LYS 105           2HD      LYS 105 -32.307 -11.332 -12.571
  834    HE2  LYS 105           1HE      LYS 105 -33.461  -9.913 -11.051
  835    HE3  LYS 105           2HE      LYS 105 -34.004 -11.559 -10.741
  836    HZ1  LYS 105           3HZ      LYS 105 -31.764 -10.593  -9.140
  837    HZ2  LYS 105           1HZ      LYS 105 -33.067 -11.587  -8.702
  838    HZ3  LYS 105           2HZ      LYS 105 -33.278  -9.907  -8.818
  839    H    LYS 106           H        LYS 106 -29.620 -15.386  -9.759
  840    HA   LYS 106           HA       LYS 106 -28.530 -16.055 -12.380
  841    HB2  LYS 106           1HB      LYS 106 -26.573 -15.970 -10.866
  842    HB3  LYS 106           2HB      LYS 106 -27.360 -17.123  -9.798
  843    HG2  LYS 106           1HG      LYS 106 -27.378 -18.737 -11.720
  844    HG3  LYS 106           2HG      LYS 106 -26.353 -17.594 -12.590
  845    HD2  LYS 106           1HD      LYS 106 -24.978 -19.281 -11.533
  846    HD3  LYS 106           2HD      LYS 106 -24.706 -17.722 -10.753
  847    HE2  LYS 106           1HE      LYS 106 -26.275 -18.373  -8.966
  848    HE3  LYS 106           2HE      LYS 106 -26.467 -19.948  -9.733
  849    HZ1  LYS 106           3HZ      LYS 106 -23.871 -19.960  -9.501
  850    HZ2  LYS 106           1HZ      LYS 106 -24.868 -20.421  -8.207
  851    HZ3  LYS 106           2HZ      LYS 106 -24.193 -18.867  -8.246
  852    H    VAL 107           H        VAL 107 -29.688 -17.673 -13.228
  853    HA   VAL 107           HA       VAL 107 -31.848 -18.793 -11.749
  854    HB   VAL 107           HB       VAL 107 -30.811 -19.603 -14.471
  855   HG11  VAL 107          1HG1      VAL 107 -33.532 -20.020 -13.242
  856   HG12  VAL 107          2HG1      VAL 107 -33.012 -20.537 -14.846
  857   HG13  VAL 107          3HG1      VAL 107 -32.293 -21.264 -13.408
  858   HG21  VAL 107          3HG2      VAL 107 -33.096 -18.141 -14.866
  859   HG22  VAL 107          1HG2      VAL 107 -32.317 -17.279 -13.538
  860   HG23  VAL 107          2HG2      VAL 107 -31.449 -17.537 -15.053
  Start of MODEL   11
    1    H1   GLY  -1           1H       GLY  -1  -7.744  15.879 -12.124
    2    H2   GLY  -1           2H       GLY  -1  -8.715  17.161 -12.660
    3    H3   GLY  -1           3H       GLY  -1  -7.152  16.955 -13.293
    4    HA2  GLY  -1           1HA      GLY  -1  -8.715  16.182 -14.908
    5    HA3  GLY  -1           2HA      GLY  -1  -7.834  14.812 -14.248
    6    H    GLY   0           H        GLY   0  -9.211  13.148 -14.211
    7    HA2  GLY   0           2HA      GLY   0 -11.349  13.061 -12.385
    8    HA3  GLY   0           1HA      GLY   0 -12.004  13.341 -13.994
    9    H    SER   1           H        SER   1 -12.864  11.464 -14.607
   10    HA   SER   1           HA       SER   1 -11.442   8.960 -14.089
   11    HB2  SER   1           1HB      SER   1 -14.105   9.310 -15.474
   12    HB3  SER   1           2HB      SER   1 -13.466   7.855 -14.712
   13    HG   SER   1           HG       SER   1 -15.028   8.964 -13.420
   14    H    SER   2           H        SER   2 -10.221  10.788 -15.871
   15    HA   SER   2           HA       SER   2 -10.802   9.991 -18.574
   16    HB2  SER   2           1HB      SER   2  -8.502  11.647 -17.506
   17    HB3  SER   2           2HB      SER   2  -9.027  11.542 -19.187
   18    HG   SER   2           HG       SER   2 -11.130  12.325 -18.355
   19    H    ARG   3           H        ARG   3 -10.242   7.718 -17.219
   20    HA   ARG   3           HA       ARG   3  -7.817   6.844 -18.573
   21    HB2  ARG   3           1HB      ARG   3  -7.000   5.601 -16.621
   22    HB3  ARG   3           2HB      ARG   3  -7.047   7.328 -16.297
   23    HG2  ARG   3           1HG      ARG   3  -9.096   7.055 -15.021
   24    HG3  ARG   3           2HG      ARG   3  -9.113   5.331 -15.389
   25    HD2  ARG   3           1HD      ARG   3  -8.240   5.628 -13.177
   26    HD3  ARG   3           2HD      ARG   3  -6.927   5.116 -14.233
   27    HE   ARG   3           HE       ARG   3  -5.849   7.053 -13.722
   28   HH11  ARG   3          2HH1      ARG   3  -9.255   7.496 -13.001
   29   HH12  ARG   3          1HH1      ARG   3  -9.043   9.130 -12.443
   30   HH21  ARG   3          2HH2      ARG   3  -5.583   9.199 -12.996
   31   HH22  ARG   3          1HH2      ARG   3  -6.965  10.101 -12.443
   32    H    HIS   4           H        HIS   4  -8.166   4.996 -19.615
   33    HA   HIS   4           HA       HIS   4 -10.696   3.624 -19.184
   34    HB2  HIS   4           1HB      HIS   4  -8.588   3.521 -21.319
   35    HB3  HIS   4           2HB      HIS   4  -9.770   2.223 -21.186
   36    HD1  HIS   4           HD1      HIS   4 -12.384   3.256 -21.080
   37    HD2  HIS   4           HD2      HIS   4  -9.421   5.486 -22.963
   38    HE1  HIS   4           HE1      HIS   4 -13.600   4.890 -22.557
   39    HE2  HIS   4           HE2      HIS   4 -11.792   6.382 -23.493
   40    H    GLN   5           H        GLN   5  -7.249   2.944 -19.086
   41    HA   GLN   5           HA       GLN   5  -5.994   1.435 -17.990
   42    HB2  GLN   5           1HB      GLN   5  -7.215   2.058 -15.993
   43    HB3  GLN   5           2HB      GLN   5  -8.519   0.952 -16.406
   44    HG2  GLN   5           1HG      GLN   5  -6.947  -0.934 -16.182
   45    HG3  GLN   5           2HG      GLN   5  -5.690   0.201 -15.704
   46   HE21  GLN   5          1HE2      GLN   5  -8.312   1.534 -14.406
   47   HE22  GLN   5          2HE2      GLN   5  -8.323   0.767 -12.857
   48    H    PHE   6           H        PHE   6  -5.241  -0.393 -18.655
   49    HA   PHE   6           HA       PHE   6  -7.069  -2.613 -19.158
   50    HB2  PHE   6           1HB      PHE   6  -6.561  -1.503 -21.334
   51    HB3  PHE   6           2HB      PHE   6  -4.865  -1.905 -21.094
   52    HD1  PHE   6           HD2      PHE   6  -7.226  -4.328 -19.865
   53    HD2  PHE   6           HD1      PHE   6  -5.051  -3.072 -23.304
   54    HE1  PHE   6           HE2      PHE   6  -7.641  -6.512 -20.927
   55    HE2  PHE   6           HE1      PHE   6  -5.452  -5.258 -24.364
   56    HZ   PHE   6           HZ       PHE   6  -6.752  -6.979 -23.176
   57    H    ASP   7           H        ASP   7  -5.190  -1.685 -17.148
   58    HA   ASP   7           HA       ASP   7  -3.293  -3.884 -17.108
   59    HB2  ASP   7           1HB      ASP   7  -3.695  -1.495 -15.330
   60    HB3  ASP   7           2HB      ASP   7  -2.724  -2.868 -14.810
   61    H    LEU   8           H        LEU   8  -5.925  -2.499 -15.378
   62    HA   LEU   8           HA       LEU   8  -7.472  -3.288 -13.898
   63    HB2  LEU   8           1HB      LEU   8  -7.398  -5.462 -15.978
   64    HB3  LEU   8           2HB      LEU   8  -8.716  -5.195 -14.848
   65    HG   LEU   8           HG       LEU   8  -8.159  -2.732 -16.156
   66   HD11  LEU   8          1HD1      LEU   8  -7.802  -3.174 -18.291
   67   HD12  LEU   8          2HD1      LEU   8  -7.472  -4.845 -17.812
   68   HD13  LEU   8          3HD1      LEU   8  -9.095  -4.381 -18.322
   69   HD21  LEU   8          3HD2      LEU   8 -10.521  -3.414 -17.130
   70   HD22  LEU   8          1HD2      LEU   8 -10.413  -4.617 -15.843
   71   HD23  LEU   8          2HD2      LEU   8 -10.297  -2.899 -15.457
   72    H    ILE   9           H        ILE   9  -5.869  -3.578 -12.177
   73    HA   ILE   9           HA       ILE   9  -6.087  -6.027 -10.820
   74    HB   ILE   9           HB       ILE   9  -3.362  -5.903 -10.857
   75   HG12  ILE   9          1HG1      ILE   9  -2.578  -6.174 -13.135
   76   HG13  ILE   9          2HG1      ILE   9  -4.206  -5.891 -13.741
   77   HG21  ILE   9          1HG2      ILE   9  -3.609  -8.097 -11.008
   78   HG22  ILE   9          2HG2      ILE   9  -5.334  -7.786 -11.210
   79   HG23  ILE   9          3HG2      ILE   9  -4.300  -7.971 -12.626
   80   HD11  ILE   9          3HD1      ILE   9  -4.141  -3.623 -12.822
   81   HD12  ILE   9          1HD1      ILE   9  -2.467  -3.900 -12.302
   82   HD13  ILE   9          2HD1      ILE   9  -2.877  -3.914 -14.023
   83    H    MET  10           H        MET  10  -4.139  -5.971  -9.116
   84    HA   MET  10           HA       MET  10  -4.014  -3.365  -7.864
   85    HB2  MET  10           1HB      MET  10  -3.713  -4.733  -6.099
   86    HB3  MET  10           2HB      MET  10  -3.534  -6.122  -7.156
   87    HG2  MET  10           1HG      MET  10  -1.516  -6.279  -6.276
   88    HG3  MET  10           2HG      MET  10  -1.102  -4.971  -7.388
   89    HE1  MET  10           3HE      MET  10  -2.229  -4.882  -3.062
   90    HE2  MET  10           1HE      MET  10  -3.314  -3.780  -3.910
   91    HE3  MET  10           2HE      MET  10  -3.194  -5.467  -4.422
   92    H    CYS  11           H        CYS  11  -2.156  -2.036  -7.965
   93    HA   CYS  11           HA       CYS  11  -0.923  -1.731 -10.332
   94    HB2  CYS  11           1HB      CYS  11  -0.881  -0.138  -8.378
   95    HB3  CYS  11           2HB      CYS  11   0.467  -1.062  -7.727
   96    H    LEU  12           H        LEU  12   0.599  -3.379  -7.582
   97    HA   LEU  12           HA       LEU  12   2.410  -4.726  -7.425
   98    HB2  LEU  12           1HB      LEU  12   0.124  -5.744  -8.528
   99    HB3  LEU  12           2HB      LEU  12   1.377  -6.367  -9.587
  100    HG   LEU  12           HG       LEU  12   2.482  -7.400  -7.766
  101   HD11  LEU  12          1HD1      LEU  12   0.432  -6.651  -5.781
  102   HD12  LEU  12          2HD1      LEU  12   2.123  -7.106  -5.548
  103   HD13  LEU  12          3HD1      LEU  12   1.716  -5.499  -6.153
  104   HD21  LEU  12          3HD2      LEU  12   0.591  -8.852  -6.868
  105   HD22  LEU  12          1HD2      LEU  12  -0.452  -7.865  -7.896
  106   HD23  LEU  12          2HD2      LEU  12   0.848  -8.818  -8.613
  107    H    LYS  13           H        LYS  13   3.306  -2.629  -9.078
  108    HA   LYS  13           HA       LYS  13   4.759  -3.808 -11.287
  109    HB2  LYS  13           1HB      LYS  13   5.127  -1.135  -9.922
  110    HB3  LYS  13           2HB      LYS  13   5.883  -1.632 -11.425
  111    HG2  LYS  13           1HG      LYS  13   3.597  -1.810 -12.415
  112    HG3  LYS  13           2HG      LYS  13   2.972  -1.096 -10.930
  113    HD2  LYS  13           1HD      LYS  13   4.329   0.867 -11.284
  114    HD3  LYS  13           2HD      LYS  13   5.052   0.138 -12.718
  115    HE2  LYS  13           1HE      LYS  13   2.151   0.827 -12.349
  116    HE3  LYS  13           2HE      LYS  13   3.323   1.715 -13.297
  117    HZ1  LYS  13           3HZ      LYS  13   3.465  -0.848 -14.247
  118    HZ2  LYS  13           1HZ      LYS  13   2.723   0.477 -15.011
  119    HZ3  LYS  13           2HZ      LYS  13   1.809  -0.564 -14.032
  120    H    GLN  14           H        GLN  14   7.052  -1.963 -10.213
  121    HA   GLN  14           HA       GLN  14   8.237  -3.965  -8.395
  122    HB2  GLN  14           1HB      GLN  14   9.337  -3.438 -10.702
  123    HB3  GLN  14           2HB      GLN  14   9.844  -1.940  -9.939
  124    HG2  GLN  14           1HG      GLN  14  10.480  -4.677  -8.863
  125    HG3  GLN  14           2HG      GLN  14  11.547  -3.756  -9.922
  126   HE21  GLN  14          1HE2      GLN  14  11.017  -4.567  -6.824
  127   HE22  GLN  14          2HE2      GLN  14  11.733  -3.212  -6.025
  128    HA   PRO  15           HA       PRO  15   7.339  -0.793  -5.384
  129    HB2  PRO  15           1HB      PRO  15   9.315  -2.363  -3.820
  130    HB3  PRO  15           2HB      PRO  15   7.691  -1.833  -3.373
  131    HG2  PRO  15           1HG      PRO  15   8.159  -4.370  -4.027
  132    HG3  PRO  15           2HG      PRO  15   6.667  -3.558  -4.533
  133    HD2  PRO  15           1HD      PRO  15   9.094  -4.234  -6.129
  134    HD3  PRO  15           2HD      PRO  15   7.388  -4.214  -6.620
  135    H    GLY  16           H        GLY  16   8.224   1.120  -4.936
  136    HA2  GLY  16           2HA      GLY  16  11.042   1.550  -5.607
  137    HA3  GLY  16           1HA      GLY  16   9.819   2.798  -5.425
  138    H    VAL  17           H        VAL  17  10.652   4.075  -3.889
  139    HA   VAL  17           HA       VAL  17  11.642   2.798  -1.436
  140    HB   VAL  17           HB       VAL  17  12.854   4.925  -1.021
  141   HG11  VAL  17          1HG1      VAL  17  13.471   3.700  -3.707
  142   HG12  VAL  17          2HG1      VAL  17  14.597   4.542  -2.644
  143   HG13  VAL  17          3HG1      VAL  17  13.910   2.993  -2.152
  144   HG21  VAL  17          3HG2      VAL  17  11.319   6.351  -2.370
  145   HG22  VAL  17          1HG2      VAL  17  13.029   6.604  -2.720
  146   HG23  VAL  17          2HG2      VAL  17  12.032   5.659  -3.826
  147    H    GLN  18           H        GLN  18   9.222   4.995  -2.603
  148    HA   GLN  18           HA       GLN  18   8.830   6.255  -0.064
  149    HB2  GLN  18           1HB      GLN  18   7.414   6.416  -2.705
  150    HB3  GLN  18           2HB      GLN  18   6.773   7.223  -1.283
  151    HG2  GLN  18           1HG      GLN  18   8.950   8.395  -1.036
  152    HG3  GLN  18           2HG      GLN  18   9.458   7.673  -2.560
  153   HE21  GLN  18          1HE2      GLN  18   9.371   9.078  -4.144
  154   HE22  GLN  18          2HE2      GLN  18   8.136  10.267  -4.388
  155    H    THR  19           H        THR  19   7.330   5.945   1.459
  156    HA   THR  19           HA       THR  19   6.053   3.371   1.576
  157    HB   THR  19           HB       THR  19   5.783   5.670   3.527
  158    HG1  THR  19           HG1      THR  19   7.925   4.050   2.931
  159   HG21  THR  19          1HG2      THR  19   5.734   2.772   4.259
  160   HG22  THR  19          2HG2      THR  19   4.282   3.516   3.587
  161   HG23  THR  19          3HG2      THR  19   4.991   4.149   5.072
  162    H    GLY  20           H        GLY  20   3.914   2.881   1.419
  163    HA2  GLY  20           2HA      GLY  20   2.245   4.731  -0.013
  164    HA3  GLY  20           1HA      GLY  20   1.817   3.100   0.470
  165    H    LEU  21           H        LEU  21   0.637   5.974   0.666
  166    HA   LEU  21           HA       LEU  21   0.046   6.065   3.523
  167    HB2  LEU  21           1HB      LEU  21  -0.486   7.953   1.246
  168    HB3  LEU  21           2HB      LEU  21  -1.205   8.172   2.829
  169    HG   LEU  21           HG       LEU  21   1.760   8.149   2.255
  170   HD11  LEU  21          1HD1      LEU  21  -0.094  10.426   2.941
  171   HD12  LEU  21          2HD1      LEU  21   1.648  10.535   2.687
  172   HD13  LEU  21          3HD1      LEU  21   0.586  10.111   1.343
  173   HD21  LEU  21          3HD2      LEU  21   0.192   8.684   4.779
  174   HD22  LEU  21          1HD2      LEU  21   1.295   7.339   4.485
  175   HD23  LEU  21          2HD2      LEU  21   1.919   8.985   4.580
  176    H    LEU  22           H        LEU  22  -2.000   5.956   4.364
  177    HA   LEU  22           HA       LEU  22  -4.147   5.004   2.575
  178    HB2  LEU  22           1HB      LEU  22  -3.587   4.328   5.461
  179    HB3  LEU  22           2HB      LEU  22  -5.106   3.962   4.664
  180    HG   LEU  22           HG       LEU  22  -2.413   2.892   3.870
  181   HD11  LEU  22          1HD1      LEU  22  -3.971   0.767   4.569
  182   HD12  LEU  22          2HD1      LEU  22  -2.770   1.528   5.612
  183   HD13  LEU  22          3HD1      LEU  22  -4.468   1.984   5.743
  184   HD21  LEU  22          3HD2      LEU  22  -4.145   3.244   2.052
  185   HD22  LEU  22          1HD2      LEU  22  -3.515   1.608   2.235
  186   HD23  LEU  22          2HD2      LEU  22  -5.106   2.017   2.875
  187    H    CYS  23           H        CYS  23  -5.975   6.151   2.571
  188    HA   CYS  23           HA       CYS  23  -6.231   8.546   4.151
  189    HB2  CYS  23           1HB      CYS  23  -8.189   8.992   2.942
  190    HB3  CYS  23           2HB      CYS  23  -7.198   8.129   1.774
  191    H    GLU  24           H        GLU  24  -8.057   8.850   5.657
  192    HA   GLU  24           HA       GLU  24  -8.024   6.959   7.660
  193    HB2  GLU  24           1HB      GLU  24 -10.196   8.991   7.173
  194    HB3  GLU  24           2HB      GLU  24  -9.813   8.221   8.710
  195    HG2  GLU  24           1HG      GLU  24  -7.530   9.237   8.542
  196    HG3  GLU  24           2HG      GLU  24  -8.116  10.139   7.144
  197    H    LYS  25           H        LYS  25 -10.100   7.151   4.903
  198    HA   LYS  25           HA       LYS  25 -12.135   5.402   5.838
  199    HB2  LYS  25           1HB      LYS  25 -11.357   6.217   3.038
  200    HB3  LYS  25           2HB      LYS  25 -12.822   5.336   3.459
  201    HG2  LYS  25           1HG      LYS  25 -13.694   7.177   4.664
  202    HG3  LYS  25           2HG      LYS  25 -12.151   8.031   4.611
  203    HD2  LYS  25           1HD      LYS  25 -12.351   8.333   2.230
  204    HD3  LYS  25           2HD      LYS  25 -13.818   7.352   2.190
  205    HE2  LYS  25           1HE      LYS  25 -14.407   9.692   2.093
  206    HE3  LYS  25           2HE      LYS  25 -14.931   9.019   3.635
  207    HZ1  LYS  25           3HZ      LYS  25 -13.298  10.149   4.784
  208    HZ2  LYS  25           1HZ      LYS  25 -13.740  11.280   3.597
  209    HZ3  LYS  25           2HZ      LYS  25 -12.321  10.373   3.414
  210    H    CYS  26           H        CYS  26  -8.976   4.831   4.488
  211    HA   CYS  26           HA       CYS  26  -9.638   1.959   4.387
  212    HB2  CYS  26           1HB      CYS  26  -7.374   3.147   2.790
  213    HB3  CYS  26           2HB      CYS  26  -8.117   1.565   2.616
  214    H    ASP  27           H        ASP  27  -8.568   3.965   6.396
  215    HA   ASP  27           HA       ASP  27  -5.830   3.511   6.803
  216    HB2  ASP  27           1HB      ASP  27  -6.990   5.441   7.712
  217    HB3  ASP  27           2HB      ASP  27  -7.975   4.402   8.734
  218    H    GLY  28           H        GLY  28  -4.726   1.978   7.790
  219    HA2  GLY  28           2HA      GLY  28  -4.276   0.285   9.335
  220    HA3  GLY  28           1HA      GLY  28  -5.979   0.246   9.760
  221    H    LYS  29           H        LYS  29  -6.711   0.039   6.872
  222    HA   LYS  29           HA       LYS  29  -6.854  -2.787   6.732
  223    HB2  LYS  29           1HB      LYS  29  -7.398  -0.695   4.616
  224    HB3  LYS  29           2HB      LYS  29  -7.795  -2.398   4.462
  225    HG2  LYS  29           1HG      LYS  29  -9.368  -2.240   6.287
  226    HG3  LYS  29           2HG      LYS  29  -8.920  -0.552   6.555
  227    HD2  LYS  29           1HD      LYS  29  -9.798   0.100   4.445
  228    HD3  LYS  29           2HD      LYS  29 -10.022  -1.577   3.948
  229    HE2  LYS  29           1HE      LYS  29 -12.156  -0.658   4.546
  230    HE3  LYS  29           2HE      LYS  29 -11.685  -1.840   5.766
  231    HZ1  LYS  29           3HZ      LYS  29 -12.565   0.622   6.317
  232    HZ2  LYS  29           1HZ      LYS  29 -10.893   0.889   6.336
  233    HZ3  LYS  29           2HZ      LYS  29 -11.571  -0.281   7.353
  234    H    CYS  30           H        CYS  30  -5.547  -4.237   5.785
  235    HA   CYS  30           HA       CYS  30  -3.039  -3.453   4.632
  236    HB2  CYS  30           1HB      CYS  30  -3.149  -5.530   5.840
  237    HB3  CYS  30           2HB      CYS  30  -4.486  -6.098   4.848
  238    HA   PRO  31           HA       PRO  31  -4.854  -2.337   0.723
  239    HB2  PRO  31           1HB      PRO  31  -2.030  -2.691  -0.167
  240    HB3  PRO  31           2HB      PRO  31  -3.125  -1.325  -0.411
  241    HG2  PRO  31           1HG      PRO  31  -1.181  -1.185   1.393
  242    HG3  PRO  31           2HG      PRO  31  -2.780  -0.494   1.729
  243    HD2  PRO  31           1HD      PRO  31  -1.546  -3.012   2.745
  244    HD3  PRO  31           2HD      PRO  31  -2.637  -1.875   3.564
  245    H    ILE  32           H        ILE  32  -2.492  -4.951   0.848
  246    HA   ILE  32           HA       ILE  32  -2.956  -6.026  -1.662
  247    HB   ILE  32           HB       ILE  32  -2.120  -7.538   0.813
  248   HG12  ILE  32          1HG1      ILE  32  -0.783  -5.425   0.123
  249   HG13  ILE  32          2HG1      ILE  32   0.100  -6.917   0.417
  250   HG21  ILE  32          1HG2      ILE  32  -0.909  -8.946  -0.906
  251   HG22  ILE  32          2HG2      ILE  32  -2.665  -9.110  -0.852
  252   HG23  ILE  32          3HG2      ILE  32  -1.907  -8.147  -2.121
  253   HD11  ILE  32          3HD1      ILE  32   0.725  -7.131  -1.741
  254   HD12  ILE  32          1HD1      ILE  32  -0.751  -6.384  -2.364
  255   HD13  ILE  32          2HD1      ILE  32   0.532  -5.377  -1.696
  256    H    CYS  33           H        CYS  33  -4.482  -6.919   1.438
  257    HA   CYS  33           HA       CYS  33  -6.244  -8.702  -0.093
  258    HB2  CYS  33           1HB      CYS  33  -6.334 -10.134   1.868
  259    HB3  CYS  33           2HB      CYS  33  -4.662  -9.843   1.402
  260    H    ASP  34           H        ASP  34  -6.263  -5.973   1.961
  261    HA   ASP  34           HA       ASP  34  -7.918  -4.710   2.874
  262    HB2  ASP  34           1HB      ASP  34  -9.147  -5.182   0.721
  263    HB3  ASP  34           2HB      ASP  34  -9.905  -6.550   1.525
  264    H    SER  35           H        SER  35  -7.070  -5.623   4.810
  265    HA   SER  35           HA       SER  35  -9.001  -6.845   6.510
  266    HB2  SER  35           1HB      SER  35  -8.306  -8.840   5.235
  267    HB3  SER  35           2HB      SER  35  -6.623  -8.519   5.643
  268    HG   SER  35           HG       SER  35  -7.546 -10.088   7.020
  269    H    TYR  36           H        TYR  36  -8.371  -6.730   8.695
  270    HA   TYR  36           HA       TYR  36  -5.938  -5.149   9.177
  271    HB2  TYR  36           1HB      TYR  36  -8.208  -5.777  11.082
  272    HB3  TYR  36           2HB      TYR  36  -6.874  -4.676  11.382
  273    HD1  TYR  36           HD2      TYR  36  -9.749  -5.182   9.052
  274    HD2  TYR  36           HD1      TYR  36  -7.169  -2.417  11.005
  275    HE1  TYR  36           HE2      TYR  36 -11.133  -3.321   8.243
  276    HE2  TYR  36           HE1      TYR  36  -8.554  -0.554  10.208
  277    HH   TYR  36           HH       TYR  36 -10.831  -0.153   9.481
  278    H    VAL  37           H        VAL  37  -5.871  -8.019   8.605
  279    HA   VAL  37           HA       VAL  37  -5.648  -9.400  11.072
  280    HB   VAL  37           HB       VAL  37  -6.396 -10.568   9.102
  281   HG11  VAL  37          1HG1      VAL  37  -5.446 -10.024   7.165
  282   HG12  VAL  37          2HG1      VAL  37  -3.954  -9.495   7.944
  283   HG13  VAL  37          3HG1      VAL  37  -4.208 -11.204   7.593
  284   HG21  VAL  37          3HG2      VAL  37  -4.348 -11.464  10.865
  285   HG22  VAL  37          1HG2      VAL  37  -5.673 -12.384  10.142
  286   HG23  VAL  37          2HG2      VAL  37  -4.132 -12.239   9.291
  287    H    ARG  38           H        ARG  38  -4.183  -7.828  11.962
  288    HA   ARG  38           HA       ARG  38  -2.217  -7.274  12.934
  289    HB2  ARG  38           1HB      ARG  38  -1.457 -10.031  11.970
  290    HB3  ARG  38           2HB      ARG  38  -0.509  -9.077  13.102
  291    HG2  ARG  38           1HG      ARG  38  -3.365  -9.870  13.608
  292    HG3  ARG  38           2HG      ARG  38  -1.982 -10.843  14.111
  293    HD2  ARG  38           1HD      ARG  38  -2.599  -9.547  15.994
  294    HD3  ARG  38           2HD      ARG  38  -1.142  -8.805  15.338
  295    HE   ARG  38           HE       ARG  38  -3.445  -7.558  14.263
  296   HH11  ARG  38          2HH1      ARG  38  -1.566  -7.775  17.212
  297   HH12  ARG  38          1HH1      ARG  38  -2.071  -6.210  17.797
  298   HH21  ARG  38          2HH2      ARG  38  -4.094  -5.503  15.007
  299   HH22  ARG  38          1HH2      ARG  38  -3.500  -4.911  16.537
  300    HA   PRO  39           HA       PRO  39   0.057  -5.505   9.440
  301    HB2  PRO  39           1HB      PRO  39   1.295  -3.612  10.914
  302    HB3  PRO  39           2HB      PRO  39  -0.373  -3.440  10.357
  303    HG2  PRO  39           1HG      PRO  39   0.645  -4.285  13.044
  304    HG3  PRO  39           2HG      PRO  39  -0.686  -3.183  12.649
  305    HD2  PRO  39           1HD      PRO  39  -1.089  -5.765  13.371
  306    HD3  PRO  39           2HD      PRO  39  -2.160  -4.907  12.247
  307    H    LYS  40           H        LYS  40   2.133  -5.816   8.755
  308    HA   LYS  40           HA       LYS  40   3.984  -7.051  10.688
  309    HB2  LYS  40           1HB      LYS  40   2.779  -8.637   9.121
  310    HB3  LYS  40           2HB      LYS  40   3.673  -7.888   7.806
  311    HG2  LYS  40           1HG      LYS  40   4.726  -9.955   8.514
  312    HG3  LYS  40           2HG      LYS  40   5.776  -8.574   8.842
  313    HD2  LYS  40           1HD      LYS  40   5.045  -8.575  11.177
  314    HD3  LYS  40           2HD      LYS  40   3.992  -9.953  10.848
  315    HE2  LYS  40           1HE      LYS  40   5.896 -11.341  10.338
  316    HE3  LYS  40           2HE      LYS  40   6.986  -9.961  10.492
  317    HZ1  LYS  40           3HZ      LYS  40   5.524 -11.404  12.611
  318    HZ2  LYS  40           1HZ      LYS  40   6.039  -9.808  12.853
  319    HZ3  LYS  40           2HZ      LYS  40   7.174 -11.021  12.524
  320    H    ARG  41           H        ARG  41   3.831  -5.493   7.475
  321    HA   ARG  41           HA       ARG  41   6.450  -4.274   8.026
  322    HB2  ARG  41           1HB      ARG  41   5.679  -5.922   5.630
  323    HB3  ARG  41           2HB      ARG  41   6.971  -4.735   5.548
  324    HG2  ARG  41           1HG      ARG  41   6.901  -7.041   7.482
  325    HG3  ARG  41           2HG      ARG  41   7.757  -7.046   5.938
  326    HD2  ARG  41           1HD      ARG  41   8.264  -5.237   8.298
  327    HD3  ARG  41           2HD      ARG  41   9.314  -6.519   7.698
  328    HE   ARG  41           HE       ARG  41   9.201  -3.842   6.772
  329   HH11  ARG  41          2HH1      ARG  41   9.695  -7.135   5.650
  330   HH12  ARG  41          1HH1      ARG  41  10.528  -6.650   4.207
  331   HH21  ARG  41          2HH2      ARG  41  10.314  -3.205   4.878
  332   HH22  ARG  41          1HH2      ARG  41  10.917  -4.425   3.788
  333    H    LYS  42           H        LYS  42   6.808  -2.272   7.056
  334    HA   LYS  42           HA       LYS  42   4.510  -0.725   6.420
  335    HB2  LYS  42           1HB      LYS  42   7.459  -0.195   6.166
  336    HB3  LYS  42           2HB      LYS  42   6.259   0.969   5.625
  337    HG2  LYS  42           1HG      LYS  42   5.305   0.923   7.938
  338    HG3  LYS  42           2HG      LYS  42   6.702  -0.043   8.419
  339    HD2  LYS  42           1HD      LYS  42   8.201   1.739   7.743
  340    HD3  LYS  42           2HD      LYS  42   6.837   2.697   7.164
  341    HE2  LYS  42           1HE      LYS  42   5.936   2.763   9.450
  342    HE3  LYS  42           2HE      LYS  42   7.330   1.842  10.015
  343    HZ1  LYS  42           3HZ      LYS  42   7.979   3.979  10.458
  344    HZ2  LYS  42           1HZ      LYS  42   7.185   4.633   9.108
  345    HZ3  LYS  42           2HZ      LYS  42   8.639   3.779   8.907
  346    H    VAL  43           H        VAL  43   3.654  -0.084   4.568
  347    HA   VAL  43           HA       VAL  43   4.086  -1.697   2.267
  348    HB   VAL  43           HB       VAL  43   2.202   0.429   3.095
  349   HG11  VAL  43          1HG1      VAL  43   2.647  -0.249   0.194
  350   HG12  VAL  43          2HG1      VAL  43   1.258   0.633   0.831
  351   HG13  VAL  43          3HG1      VAL  43   2.876   1.324   0.958
  352   HG21  VAL  43          3HG2      VAL  43   2.004  -2.296   1.851
  353   HG22  VAL  43          1HG2      VAL  43   1.520  -1.790   3.469
  354   HG23  VAL  43          2HG2      VAL  43   0.607  -1.243   2.063
  355    H    ARG  44           H        ARG  44   5.212  -1.315   0.457
  356    HA   ARG  44           HA       ARG  44   6.381   1.369   0.098
  357    HB2  ARG  44           1HB      ARG  44   7.501  -1.287  -0.827
  358    HB3  ARG  44           2HB      ARG  44   8.167   0.281  -1.248
  359    HG2  ARG  44           1HG      ARG  44   9.551  -0.390   0.453
  360    HG3  ARG  44           2HG      ARG  44   8.375   0.598   1.319
  361    HD2  ARG  44           1HD      ARG  44   8.905  -1.538   2.462
  362    HD3  ARG  44           2HD      ARG  44   7.197  -1.357   2.068
  363    HE   ARG  44           HE       ARG  44   7.368  -3.268   0.856
  364   HH11  ARG  44          2HH1      ARG  44  10.571  -1.858   1.029
  365   HH12  ARG  44          1HH1      ARG  44  11.309  -3.099   0.063
  366   HH21  ARG  44          2HH2      ARG  44   8.347  -4.933  -0.380
  367   HH22  ARG  44          1HH2      ARG  44  10.046  -4.836  -0.740
  368    H    VAL  45           H        VAL  45   5.668   2.424  -1.652
  369    HA   VAL  45           HA       VAL  45   4.073   0.934  -3.599
  370    HB   VAL  45           HB       VAL  45   3.404   3.132  -4.495
  371   HG11  VAL  45          1HG1      VAL  45   2.963   3.184  -1.535
  372   HG12  VAL  45          2HG1      VAL  45   1.843   3.582  -2.836
  373   HG13  VAL  45          3HG1      VAL  45   2.283   1.902  -2.535
  374   HG21  VAL  45          3HG2      VAL  45   5.080   4.223  -2.238
  375   HG22  VAL  45          1HG2      VAL  45   5.349   4.456  -3.967
  376   HG23  VAL  45          2HG2      VAL  45   3.933   5.167  -3.191
  377    H    CYS  46           H        CYS  46   4.468   1.070  -5.835
  378    HA   CYS  46           HA       CYS  46   7.166   0.830  -6.546
  379    HB2  CYS  46           1HB      CYS  46   6.453   0.464  -8.759
  380    HB3  CYS  46           2HB      CYS  46   5.128  -0.137  -7.773
  381    H    GLU  47           H        GLU  47   8.487   2.154  -7.822
  382    HA   GLU  47           HA       GLU  47   8.686   4.773  -7.032
  383    HB2  GLU  47           1HB      GLU  47  10.294   3.168  -8.395
  384    HB3  GLU  47           2HB      GLU  47   9.661   4.079  -9.760
  385    HG2  GLU  47           1HG      GLU  47  11.700   5.089  -9.035
  386    HG3  GLU  47           2HG      GLU  47  10.361   6.165  -8.630
  387    H    ASN  48           H        ASN  48   6.937   3.476  -9.798
  388    HA   ASN  48           HA       ASN  48   6.370   5.845 -11.163
  389    HB2  ASN  48           1HB      ASN  48   4.665   3.357 -10.892
  390    HB3  ASN  48           2HB      ASN  48   4.394   4.638 -12.067
  391   HD21  ASN  48          1HD2      ASN  48   5.069   4.136 -14.001
  392   HD22  ASN  48          2HD2      ASN  48   6.455   3.169 -14.386
  393    H    CYS  49           H        CYS  49   4.622   4.264  -8.522
  394    HA   CYS  49           HA       CYS  49   2.596   6.301  -8.393
  395    HB2  CYS  49           1HB      CYS  49   3.320   4.037  -6.531
  396    HB3  CYS  49           2HB      CYS  49   2.018   5.171  -6.200
  397    H    SER  50           H        SER  50   5.809   6.075  -7.311
  398    HA   SER  50           HA       SER  50   5.394   7.649  -4.924
  399    HB2  SER  50           1HB      SER  50   8.016   6.866  -6.194
  400    HB3  SER  50           2HB      SER  50   7.749   7.398  -4.540
  401    HG   SER  50           HG       SER  50   6.551   5.068  -5.625
  402    H    PHE  51           H        PHE  51   6.930   8.133  -8.113
  403    HA   PHE  51           HA       PHE  51   7.463  10.892  -7.464
  404    HB2  PHE  51           1HB      PHE  51   8.290  11.076  -9.801
  405    HB3  PHE  51           2HB      PHE  51   9.108   9.862  -8.842
  406    HD1  PHE  51           HD2      PHE  51   6.051   9.902 -11.027
  407    HD2  PHE  51           HD1      PHE  51   9.779   8.091 -10.066
  408    HE1  PHE  51           HE2      PHE  51   5.727   8.277 -12.842
  409    HE2  PHE  51           HE1      PHE  51   9.467   6.474 -11.890
  410    HZ   PHE  51           HZ       PHE  51   7.438   6.561 -13.278
  411    H    GLY  52           H        GLY  52   4.902   9.121  -8.810
  412    HA2  GLY  52           2HA      GLY  52   3.691  11.216 -10.332
  413    HA3  GLY  52           1HA      GLY  52   2.910   9.741  -9.779
  414    H    LYS  53           H        LYS  53   1.702  12.293  -9.797
  415    HA   LYS  53           HA       LYS  53   1.722  13.586  -7.283
  416    HB2  LYS  53           1HB      LYS  53  -0.675  13.357  -9.099
  417    HB3  LYS  53           2HB      LYS  53  -0.292  14.656  -7.980
  418    HG2  LYS  53           1HG      LYS  53   1.259  13.998 -10.473
  419    HG3  LYS  53           2HG      LYS  53   0.063  15.286 -10.320
  420    HD2  LYS  53           1HD      LYS  53   1.436  16.361  -8.606
  421    HD3  LYS  53           2HD      LYS  53   2.623  15.062  -8.737
  422    HE2  LYS  53           1HE      LYS  53   3.339  17.016  -9.997
  423    HE3  LYS  53           2HE      LYS  53   3.022  15.654 -11.071
  424    HZ1  LYS  53           3HZ      LYS  53   2.135  17.823 -11.857
  425    HZ2  LYS  53           1HZ      LYS  53   1.060  17.820 -10.543
  426    HZ3  LYS  53           2HZ      LYS  53   0.958  16.607 -11.724
  427    H    GLN  54           H        GLN  54   0.328  10.686  -8.436
  428    HA   GLN  54           HA       GLN  54  -1.823  10.220  -6.782
  429    HB2  GLN  54           1HB      GLN  54   0.198   8.171  -7.689
  430    HB3  GLN  54           2HB      GLN  54  -1.456   7.850  -7.189
  431    HG2  GLN  54           1HG      GLN  54  -1.613   7.786  -9.472
  432    HG3  GLN  54           2HG      GLN  54  -2.086   9.444  -9.113
  433   HE21  GLN  54          1HE2      GLN  54  -1.152  10.973 -10.257
  434   HE22  GLN  54          2HE2      GLN  54   0.354  10.829 -11.114
  435    H    ALA  55           H        ALA  55   1.550  10.016  -6.138
  436    HA   ALA  55           HA       ALA  55   1.822   8.385  -3.996
  437    HB1  ALA  55           3HB      ALA  55   3.874   9.214  -4.006
  438    HB2  ALA  55           1HB      ALA  55   3.315  10.276  -5.302
  439    HB3  ALA  55           2HB      ALA  55   3.296  10.841  -3.627
  440    H    LYS  56           H        LYS  56   0.514  11.653  -3.951
  441    HA   LYS  56           HA       LYS  56   0.616  11.964  -1.124
  442    HB2  LYS  56           1HB      LYS  56  -1.207  13.370  -3.074
  443    HB3  LYS  56           2HB      LYS  56  -0.778  13.913  -1.461
  444    HG2  LYS  56           1HG      LYS  56   1.060  13.698  -3.839
  445    HG3  LYS  56           2HG      LYS  56   0.439  15.181  -3.116
  446    HD2  LYS  56           1HD      LYS  56   2.297  13.193  -1.809
  447    HD3  LYS  56           2HD      LYS  56   2.738  14.785  -2.426
  448    HE2  LYS  56           1HE      LYS  56   1.130  15.778  -0.804
  449    HE3  LYS  56           2HE      LYS  56   0.892  14.168  -0.133
  450    HZ1  LYS  56           3HZ      LYS  56   2.617  15.782   0.913
  451    HZ2  LYS  56           1HZ      LYS  56   3.620  15.236  -0.338
  452    HZ3  LYS  56           2HZ      LYS  56   2.976  14.131   0.778
  453    H    ASN  57           H        ASN  57  -1.745  10.760  -3.393
  454    HA   ASN  57           HA       ASN  57  -3.886  10.669  -1.498
  455    HB2  ASN  57           1HB      ASN  57  -3.889   9.101  -4.052
  456    HB3  ASN  57           2HB      ASN  57  -5.234   9.857  -3.219
  457   HD21  ASN  57          1HD2      ASN  57  -3.332  10.030  -5.819
  458   HD22  ASN  57          2HD2      ASN  57  -3.478  11.714  -6.209
  459    H    CYS  58           H        CYS  58  -5.015   8.797  -0.926
  460    HA   CYS  58           HA       CYS  58  -3.524   6.797   0.339
  461    HB2  CYS  58           1HB      CYS  58  -5.642   7.405   1.164
  462    HB3  CYS  58           2HB      CYS  58  -6.407   7.175  -0.398
  463    H    ILE  59           H        ILE  59  -2.924   4.823  -0.220
  464    HA   ILE  59           HA       ILE  59  -2.642   4.226  -2.946
  465    HB   ILE  59           HB       ILE  59  -1.571   2.129  -2.166
  466   HG12  ILE  59          1HG1      ILE  59  -2.527   3.128   0.520
  467   HG13  ILE  59          2HG1      ILE  59  -2.861   1.569  -0.225
  468   HG21  ILE  59          1HG2      ILE  59  -0.838   4.830  -1.665
  469   HG22  ILE  59          2HG2      ILE  59  -0.198   3.818  -0.369
  470   HG23  ILE  59          3HG2      ILE  59   0.199   3.456  -2.048
  471   HD11  ILE  59          3HD1      ILE  59  -0.165   1.495  -0.106
  472   HD12  ILE  59          1HD1      ILE  59  -0.534   2.472   1.323
  473   HD13  ILE  59          2HD1      ILE  59  -1.239   0.861   1.142
  474    H    ILE  60           H        ILE  60  -4.821   2.872  -0.512
  475    HA   ILE  60           HA       ILE  60  -5.637   0.676  -2.084
  476    HB   ILE  60           HB       ILE  60  -6.935   1.991   0.298
  477   HG12  ILE  60          1HG1      ILE  60  -5.373  -0.573  -0.074
  478   HG13  ILE  60          2HG1      ILE  60  -4.826   0.874   0.767
  479   HG21  ILE  60          1HG2      ILE  60  -8.578   0.833  -1.226
  480   HG22  ILE  60          2HG2      ILE  60  -7.722  -0.665  -0.864
  481   HG23  ILE  60          3HG2      ILE  60  -8.505   0.236   0.432
  482   HD11  ILE  60          3HD1      ILE  60  -6.905  -1.110   1.617
  483   HD12  ILE  60          1HD1      ILE  60  -5.431  -0.621   2.454
  484   HD13  ILE  60          2HD1      ILE  60  -6.793   0.495   2.344
  485    H    CYS  61           H        CYS  61  -7.396   3.742  -1.395
  486    HA   CYS  61           HA       CYS  61  -9.268   2.996  -3.481
  487    HB2  CYS  61           1HB      CYS  61 -10.578   4.967  -2.827
  488    HB3  CYS  61           2HB      CYS  61 -10.274   3.879  -1.473
  489    H    ASN  62           H        ASN  62  -6.377   4.593  -3.381
  490    HA   ASN  62           HA       ASN  62  -5.237   6.008  -4.754
  491    HB2  ASN  62           1HB      ASN  62  -5.363   5.468  -7.083
  492    HB3  ASN  62           2HB      ASN  62  -5.658   3.989  -6.185
  493   HD21  ASN  62          1HD2      ASN  62  -7.529   2.911  -6.503
  494   HD22  ASN  62          2HD2      ASN  62  -8.833   3.470  -7.493
  495    H    LEU  63           H        LEU  63  -7.772   7.107  -3.634
  496    HA   LEU  63           HA       LEU  63  -8.215   9.199  -5.648
  497    HB2  LEU  63           1HB      LEU  63  -9.909   7.151  -5.126
  498    HB3  LEU  63           2HB      LEU  63 -10.507   8.337  -3.996
  499    HG   LEU  63           HG       LEU  63 -11.809   8.559  -5.954
  500   HD11  LEU  63          1HD1      LEU  63 -10.445  10.779  -6.916
  501   HD12  LEU  63          2HD1      LEU  63 -11.678  10.753  -5.654
  502   HD13  LEU  63          3HD1      LEU  63  -9.970  10.660  -5.220
  503   HD21  LEU  63          3HD2      LEU  63 -10.056   7.305  -7.312
  504   HD22  LEU  63          1HD2      LEU  63 -10.992   8.552  -8.143
  505   HD23  LEU  63          2HD2      LEU  63  -9.340   8.888  -7.623
  506    H    ASN  64           H        ASN  64  -9.106   8.384  -2.288
  507    HA   ASN  64           HA       ASN  64  -9.132  11.157  -1.522
  508    HB2  ASN  64           1HB      ASN  64  -9.305   8.625   0.128
  509    HB3  ASN  64           2HB      ASN  64  -9.473  10.250   0.786
  510   HD21  ASN  64          1HD2      ASN  64 -11.177   7.654  -0.135
  511   HD22  ASN  64          2HD2      ASN  64 -12.665   8.407  -0.607
  512    H    VAL  65           H        VAL  65  -7.569  12.269  -0.388
  513    HA   VAL  65           HA       VAL  65  -4.904  11.615  -0.805
  514    HB   VAL  65           HB       VAL  65  -5.967  13.480   1.325
  515   HG11  VAL  65          1HG1      VAL  65  -3.320  13.501  -0.121
  516   HG12  VAL  65          2HG1      VAL  65  -3.844  14.621   1.135
  517   HG13  VAL  65          3HG1      VAL  65  -3.568  12.923   1.527
  518   HG21  VAL  65          3HG2      VAL  65  -5.094  14.349  -1.399
  519   HG22  VAL  65          1HG2      VAL  65  -6.739  13.763  -1.141
  520   HG23  VAL  65          2HG2      VAL  65  -6.152  15.166  -0.249
  521    H    GLY  66           H        GLY  66  -3.326  10.653   0.376
  522    HA2  GLY  66           2HA      GLY  66  -4.124   8.700   2.284
  523    HA3  GLY  66           1HA      GLY  66  -2.480   9.045   1.767
  524    H    VAL  67           H        VAL  67  -3.561   8.460   4.428
  525    HA   VAL  67           HA       VAL  67  -2.813  10.952   5.804
  526    HB   VAL  67           HB       VAL  67  -4.710   8.809   6.783
  527   HG11  VAL  67          1HG1      VAL  67  -3.539  11.228   8.019
  528   HG12  VAL  67          2HG1      VAL  67  -5.243  10.906   8.340
  529   HG13  VAL  67          3HG1      VAL  67  -4.024   9.698   8.749
  530   HG21  VAL  67          3HG2      VAL  67  -6.496  10.032   6.079
  531   HG22  VAL  67          1HG2      VAL  67  -5.627  11.566   6.169
  532   HG23  VAL  67          2HG2      VAL  67  -5.339  10.466   4.816
  533    H    ASN  68           H        ASN  68  -3.114   7.450   6.510
  534    HA   ASN  68           HA       ASN  68  -0.575   7.680   8.003
  535    HB2  ASN  68           1HB      ASN  68  -2.914   5.822   8.453
  536    HB3  ASN  68           2HB      ASN  68  -1.373   5.685   9.293
  537   HD21  ASN  68          1HD2      ASN  68  -4.370   6.625   9.757
  538   HD22  ASN  68          2HD2      ASN  68  -4.145   7.967  10.839
  539    H    ASP  69           H        ASP  69   1.013   6.168   7.741
  540    HA   ASP  69           HA       ASP  69   1.289   4.947   5.218
  541    HB2  ASP  69           1HB      ASP  69   2.761   4.268   7.778
  542    HB3  ASP  69           2HB      ASP  69   3.289   3.877   6.148
  543    H    ALA  70           H        ALA  70   0.915   2.975   4.468
  544    HA   ALA  70           HA       ALA  70  -0.851   1.248   5.966
  545    HB1  ALA  70           3HB      ALA  70  -1.573   0.650   3.958
  546    HB2  ALA  70           1HB      ALA  70  -0.439   1.807   3.263
  547    HB3  ALA  70           2HB      ALA  70   0.039   0.121   3.480
  548    H    PHE  71           H        PHE  71  -0.495  -1.016   6.242
  549    HA   PHE  71           HA       PHE  71   2.323  -1.852   6.182
  550    HB2  PHE  71           1HB      PHE  71   0.359  -2.194   8.449
  551    HB3  PHE  71           2HB      PHE  71   1.754  -3.246   8.267
  552    HD1  PHE  71           HD2      PHE  71   1.008   0.420   8.310
  553    HD2  PHE  71           HD1      PHE  71   3.583  -2.745   9.511
  554    HE1  PHE  71           HE2      PHE  71   2.378   2.022   9.575
  555    HE2  PHE  71           HE1      PHE  71   4.952  -1.151  10.788
  556    HZ   PHE  71           HZ       PHE  71   4.354   1.236  10.819
  557    H    TYR  72           H        TYR  72   2.641  -3.823   5.300
  558    HA   TYR  72           HA       TYR  72   0.445  -5.332   4.197
  559    HB2  TYR  72           1HB      TYR  72   3.287  -6.272   4.662
  560    HB3  TYR  72           2HB      TYR  72   2.095  -7.012   3.604
  561    HD1  TYR  72           HD2      TYR  72   1.520  -5.949   1.450
  562    HD2  TYR  72           HD1      TYR  72   4.572  -4.389   3.966
  563    HE1  TYR  72           HE2      TYR  72   2.415  -4.669  -0.446
  564    HE2  TYR  72           HE1      TYR  72   5.472  -3.098   2.083
  565    HH   TYR  72           HH       TYR  72   4.410  -3.585  -1.164
  566    H    CYS  73           H        CYS  73  -0.682  -6.896   5.215
  567    HA   CYS  73           HA       CYS  73  -0.289  -7.315   8.005
  568    HB2  CYS  73           1HB      CYS  73  -2.277  -8.575   7.944
  569    HB3  CYS  73           2HB      CYS  73  -2.501  -7.348   6.701
  570    H    TRP  74           H        TRP  74  -0.232  -9.605   8.900
  571    HA   TRP  74           HA       TRP  74   2.230 -10.706   8.335
  572    HB2  TRP  74           1HB      TRP  74   1.096 -11.095  10.451
  573    HB3  TRP  74           2HB      TRP  74  -0.130 -12.070   9.645
  574    HD1  TRP  74           HD1      TRP  74   3.765 -12.217   9.667
  575    HE1  TRP  74           HE1      TRP  74   4.458 -14.669  10.049
  576    HE3  TRP  74           HE3      TRP  74  -0.877 -14.314  10.086
  577    HZ2  TRP  74           HZ2      TRP  74   3.204 -17.153  10.480
  578    HZ3  TRP  74           HZ3      TRP  74  -1.043 -16.739  10.478
  579    HH2  TRP  74           HH2      TRP  74   0.956 -18.127  10.670
  580    H    GLU  75           H        GLU  75  -0.933 -11.982   7.275
  581    HA   GLU  75           HA       GLU  75   0.119 -14.275   6.069
  582    HB2  GLU  75           1HB      GLU  75  -2.057 -14.362   4.806
  583    HB3  GLU  75           2HB      GLU  75  -2.196 -14.288   6.555
  584    HG2  GLU  75           1HG      GLU  75  -2.794 -11.981   6.471
  585    HG3  GLU  75           2HG      GLU  75  -2.448 -11.906   4.746
  586    H    CYS  76           H        CYS  76  -0.485 -11.068   4.704
  587    HA   CYS  76           HA       CYS  76   0.140 -11.799   2.031
  588    HB2  CYS  76           1HB      CYS  76   0.122  -9.134   3.436
  589    HB3  CYS  76           2HB      CYS  76   0.552  -9.305   1.738
  590    H    CYS  77           H        CYS  77   2.082 -10.603   4.736
  591    HA   CYS  77           HA       CYS  77   4.511 -10.393   3.237
  592    HB2  CYS  77           1HB      CYS  77   4.066  -9.275   5.458
  593    HB3  CYS  77           2HB      CYS  77   4.246 -10.855   6.213
  594    HG   CYS  77           HG       CYS  77   6.781  -9.761   4.251
  595    H    ARG  78           H        ARG  78   2.931 -12.905   5.088
  596    HA   ARG  78           HA       ARG  78   4.950 -14.860   5.100
  597    HB2  ARG  78           1HB      ARG  78   2.749 -14.824   6.375
  598    HB3  ARG  78           2HB      ARG  78   1.978 -15.348   4.889
  599    HG2  ARG  78           1HG      ARG  78   3.488 -17.352   4.932
  600    HG3  ARG  78           2HG      ARG  78   3.978 -16.848   6.553
  601    HD2  ARG  78           1HD      ARG  78   1.478 -16.783   7.084
  602    HD3  ARG  78           2HD      ARG  78   1.261 -17.692   5.591
  603    HE   ARG  78           HE       ARG  78   3.190 -18.933   7.270
  604   HH11  ARG  78          2HH1      ARG  78  -0.242 -18.506   6.752
  605   HH12  ARG  78          1HH1      ARG  78  -0.700 -19.892   7.701
  606   HH21  ARG  78          2HH2      ARG  78   2.602 -20.760   8.551
  607   HH22  ARG  78          1HH2      ARG  78   0.917 -21.163   8.740
  608    H    LEU  79           H        LEU  79   2.353 -14.147   2.806
  609    HA   LEU  79           HA       LEU  79   3.010 -16.215   0.957
  610    HB2  LEU  79           1HB      LEU  79   1.445 -13.656   0.624
  611    HB3  LEU  79           2HB      LEU  79   1.561 -14.902  -0.603
  612    HG   LEU  79           HG       LEU  79   0.320 -15.230   2.131
  613   HD11  LEU  79          1HD1      LEU  79  -1.754 -15.040   1.151
  614   HD12  LEU  79          2HD1      LEU  79  -0.827 -13.842   0.248
  615   HD13  LEU  79          3HD1      LEU  79  -1.148 -15.425  -0.460
  616   HD21  LEU  79          3HD2      LEU  79   0.036 -17.437   1.727
  617   HD22  LEU  79          1HD2      LEU  79  -0.099 -17.216  -0.018
  618   HD23  LEU  79          2HD2      LEU  79   1.489 -17.209   0.754
  619    H    GLY  80           H        GLY  80   4.034 -12.915   1.420
  620    HA2  GLY  80           2HA      GLY  80   6.117 -12.088   0.624
  621    HA3  GLY  80           1HA      GLY  80   6.060 -13.274  -0.674
  622    H    LYS  81           H        LYS  81   3.298 -11.351   0.204
  623    HA   LYS  81           HA       LYS  81   3.316 -10.093  -2.419
  624    HB2  LYS  81           1HB      LYS  81   1.272 -10.207  -0.206
  625    HB3  LYS  81           2HB      LYS  81   1.064  -9.234  -1.658
  626    HG2  LYS  81           1HG      LYS  81   1.198 -11.237  -3.038
  627    HG3  LYS  81           2HG      LYS  81   1.446 -12.223  -1.595
  628    HD2  LYS  81           1HD      LYS  81  -0.734 -11.946  -0.876
  629    HD3  LYS  81           2HD      LYS  81  -0.956 -10.459  -1.797
  630    HE2  LYS  81           1HE      LYS  81  -0.721 -13.232  -2.963
  631    HE3  LYS  81           2HE      LYS  81  -2.222 -12.331  -2.754
  632    HZ1  LYS  81           3HZ      LYS  81  -0.302 -12.162  -4.844
  633    HZ2  LYS  81           1HZ      LYS  81  -0.541 -10.640  -4.133
  634    HZ3  LYS  81           2HZ      LYS  81  -1.857 -11.499  -4.770
  635    H    ASP  82           H        ASP  82   4.868  -9.523   0.250
  636    HA   ASP  82           HA       ASP  82   4.506  -6.618   0.310
  637    HB2  ASP  82           1HB      ASP  82   6.102  -6.659   2.177
  638    HB3  ASP  82           2HB      ASP  82   4.769  -7.768   2.480
  639    H    LYS  83           H        LYS  83   6.151  -9.035  -1.273
  640    HA   LYS  83           HA       LYS  83   8.431  -7.298  -1.927
  641    HB2  LYS  83           1HB      LYS  83   8.237 -10.314  -2.036
  642    HB3  LYS  83           2HB      LYS  83   9.653  -9.368  -2.474
  643    HG2  LYS  83           1HG      LYS  83   9.785  -8.534  -0.168
  644    HG3  LYS  83           2HG      LYS  83   8.400  -9.541   0.257
  645    HD2  LYS  83           1HD      LYS  83   9.658 -11.542  -0.349
  646    HD3  LYS  83           2HD      LYS  83  11.041 -10.545  -0.807
  647    HE2  LYS  83           1HE      LYS  83  11.227  -9.737   1.487
  648    HE3  LYS  83           2HE      LYS  83   9.823 -10.697   1.948
  649    HZ1  LYS  83           3HZ      LYS  83  11.707 -12.372   0.702
  650    HZ2  LYS  83           1HZ      LYS  83  11.139 -12.418   2.299
  651    HZ3  LYS  83           2HZ      LYS  83  12.495 -11.480   1.906
  652    H    ASP  84           H        ASP  84   5.767  -9.106  -3.271
  653    HA   ASP  84           HA       ASP  84   6.826  -9.417  -5.848
  654    HB2  ASP  84           1HB      ASP  84   4.476  -9.792  -6.609
  655    HB3  ASP  84           2HB      ASP  84   4.992 -10.815  -5.280
  656    H    GLY  85           H        GLY  85   4.452  -6.949  -4.741
  657    HA2  GLY  85           2HA      GLY  85   5.726  -5.113  -6.600
  658    HA3  GLY  85           1HA      GLY  85   4.093  -5.587  -7.021
  659    H    CYS  86           H        CYS  86   3.605  -3.427  -6.957
  660    HA   CYS  86           HA       CYS  86   3.758  -1.954  -4.475
  661    HB2  CYS  86           1HB      CYS  86   4.488  -0.721  -6.299
  662    HB3  CYS  86           2HB      CYS  86   3.243  -1.360  -7.358
  663    HA   PRO  87           HA       PRO  87  -0.482  -3.039  -3.561
  664    HB2  PRO  87           1HB      PRO  87  -0.593  -1.851  -1.148
  665    HB3  PRO  87           2HB      PRO  87   0.290  -3.359  -1.427
  666    HG2  PRO  87           1HG      PRO  87   1.325  -0.559  -1.267
  667    HG3  PRO  87           2HG      PRO  87   1.984  -2.039  -0.551
  668    HD2  PRO  87           1HD      PRO  87   2.952  -0.942  -2.837
  669    HD3  PRO  87           2HD      PRO  87   2.999  -2.686  -2.505
  670    H    ARG  88           H        ARG  88  -0.286  -0.972  -5.376
  671    HA   ARG  88           HA       ARG  88  -2.190   1.031  -4.333
  672    HB2  ARG  88           1HB      ARG  88  -0.364   1.021  -6.726
  673    HB3  ARG  88           2HB      ARG  88  -1.764   2.078  -6.664
  674    HG2  ARG  88           1HG      ARG  88   0.046   2.155  -4.338
  675    HG3  ARG  88           2HG      ARG  88   0.664   2.810  -5.856
  676    HD2  ARG  88           1HD      ARG  88  -1.320   4.241  -6.028
  677    HD3  ARG  88           2HD      ARG  88  -1.904   3.606  -4.490
  678    HE   ARG  88           HE       ARG  88   0.672   4.608  -4.103
  679   HH11  ARG  88          2HH1      ARG  88  -2.499   5.817  -4.935
  680   HH12  ARG  88          1HH1      ARG  88  -2.272   7.334  -4.130
  681   HH21  ARG  88          2HH2      ARG  88   0.964   6.599  -3.017
  682   HH22  ARG  88          1HH2      ARG  88  -0.315   7.769  -3.019
  683    H    ILE  89           H        ILE  89  -4.316   0.720  -4.909
  684    HA   ILE  89           HA       ILE  89  -4.812  -1.439  -6.776
  685    HB   ILE  89           HB       ILE  89  -6.494  -0.036  -4.775
  686   HG12  ILE  89          1HG1      ILE  89  -5.367  -2.148  -4.260
  687   HG13  ILE  89          2HG1      ILE  89  -7.114  -2.363  -4.253
  688   HG21  ILE  89          1HG2      ILE  89  -8.469  -1.360  -5.861
  689   HG22  ILE  89          2HG2      ILE  89  -8.066   0.256  -6.440
  690   HG23  ILE  89          3HG2      ILE  89  -7.530  -1.164  -7.342
  691   HD11  ILE  89          3HD1      ILE  89  -7.097  -3.694  -6.108
  692   HD12  ILE  89          1HD1      ILE  89  -5.648  -2.943  -6.781
  693   HD13  ILE  89          2HD1      ILE  89  -5.514  -4.086  -5.438
  694    H    LEU  90           H        LEU  90  -5.056  -1.179  -8.806
  695    HA   LEU  90           HA       LEU  90  -5.907   1.399  -9.924
  696    HB2  LEU  90           1HB      LEU  90  -5.117  -1.016 -11.529
  697    HB3  LEU  90           2HB      LEU  90  -5.053   0.672 -11.995
  698    HG   LEU  90           HG       LEU  90  -3.208  -0.651 -10.006
  699   HD11  LEU  90          1HD1      LEU  90  -2.983  -0.058 -12.928
  700   HD12  LEU  90          2HD1      LEU  90  -1.548  -0.096 -11.903
  701   HD13  LEU  90          3HD1      LEU  90  -2.565  -1.529 -12.051
  702   HD21  LEU  90          3HD2      LEU  90  -3.150   2.109 -11.217
  703   HD22  LEU  90          1HD2      LEU  90  -3.544   1.719  -9.543
  704   HD23  LEU  90          2HD2      LEU  90  -1.920   1.413 -10.162
  705    H    ASN  91           H        ASN  91  -6.516  -2.050  -9.891
  706    HA   ASN  91           HA       ASN  91  -9.357  -1.581 -10.543
  707    HB2  ASN  91           1HB      ASN  91  -8.461  -2.635 -12.465
  708    HB3  ASN  91           2HB      ASN  91  -7.386  -3.625 -11.505
  709   HD21  ASN  91          1HD2      ASN  91  -7.837  -5.612 -11.504
  710   HD22  ASN  91          2HD2      ASN  91  -9.389  -6.337 -11.639
  711    H    LEU  92           H        LEU  92 -10.788  -3.241  -9.524
  712    HA   LEU  92           HA       LEU  92 -10.664  -3.320  -6.877
  713    HB2  LEU  92           1HB      LEU  92 -12.405  -4.778  -6.824
  714    HB3  LEU  92           2HB      LEU  92 -12.452  -4.309  -8.510
  715    HG   LEU  92           HG       LEU  92 -10.983  -6.793  -7.671
  716   HD11  LEU  92          1HD1      LEU  92 -13.681  -7.244  -8.638
  717   HD12  LEU  92          2HD1      LEU  92 -12.841  -7.944  -7.253
  718   HD13  LEU  92          3HD1      LEU  92 -13.650  -6.386  -7.097
  719   HD21  LEU  92          3HD2      LEU  92 -10.878  -7.240  -9.859
  720   HD22  LEU  92          1HD2      LEU  92 -12.538  -6.720 -10.142
  721   HD23  LEU  92          2HD2      LEU  92 -11.239  -5.527 -10.076
  722    H    GLY  93           H        GLY  93  -9.040  -5.725  -8.883
  723    HA2  GLY  93           2HA      GLY  93  -6.875  -6.069  -7.328
  724    HA3  GLY  93           1HA      GLY  93  -8.033  -7.168  -6.590
  725    H    SER  94           H        SER  94  -9.303  -8.385  -8.481
  726    HA   SER  94           HA       SER  94  -9.182 -10.169  -9.860
  727    HB2  SER  94           1HB      SER  94  -7.012  -8.537 -11.207
  728    HB3  SER  94           2HB      SER  94  -7.817  -9.941 -11.909
  729    HG   SER  94           HG       SER  94  -9.767  -8.800 -11.874
  730    H    ASN  95           H        ASN  95  -7.798 -10.239  -7.465
  731    HA   ASN  95           HA       ASN  95  -6.121 -12.509  -7.827
  732    HB2  ASN  95           1HB      ASN  95  -4.534 -10.611  -8.361
  733    HB3  ASN  95           2HB      ASN  95  -4.779 -10.022  -6.722
  734   HD21  ASN  95          1HD2      ASN  95  -4.750 -13.430  -7.286
  735   HD22  ASN  95          2HD2      ASN  95  -3.198 -13.745  -6.577
  736    H    ARG  96           H        ARG  96  -8.515 -11.469  -6.450
  737    HA   ARG  96           HA       ARG  96  -8.010 -11.251  -3.656
  738    HB2  ARG  96           1HB      ARG  96 -10.078 -10.497  -4.875
  739    HB3  ARG  96           2HB      ARG  96 -10.541 -12.194  -4.951
  740    HG2  ARG  96           1HG      ARG  96 -10.121 -12.109  -2.373
  741    HG3  ARG  96           2HG      ARG  96 -10.382 -10.375  -2.608
  742    HD2  ARG  96           1HD      ARG  96 -12.473 -10.904  -3.780
  743    HD3  ARG  96           2HD      ARG  96 -12.212 -12.606  -3.399
  744    HE   ARG  96           HE       ARG  96 -13.038 -12.224  -1.322
  745   HH11  ARG  96          2HH1      ARG  96 -12.054  -9.119  -2.656
  746   HH12  ARG  96          1HH1      ARG  96 -12.595  -8.221  -1.271
  747   HH21  ARG  96          2HH2      ARG  96 -13.714 -11.048   0.485
  748   HH22  ARG  96          1HH2      ARG  96 -13.538  -9.322   0.529
  749    H    LEU  97           H        LEU  97  -7.817 -12.787  -2.134
  750    HA   LEU  97           HA       LEU  97  -7.681 -14.812  -1.119
  751    HB2  LEU  97           1HB      LEU  97  -9.111 -15.955  -3.518
  752    HB3  LEU  97           2HB      LEU  97  -8.865 -16.761  -1.982
  753    HG   LEU  97           HG       LEU  97 -10.606 -14.330  -2.468
  754   HD11  LEU  97          1HD1      LEU  97 -11.211 -17.220  -1.878
  755   HD12  LEU  97          2HD1      LEU  97 -12.395 -15.923  -1.720
  756   HD13  LEU  97          3HD1      LEU  97 -11.682 -16.279  -3.293
  757   HD21  LEU  97          3HD2      LEU  97 -10.532 -13.908  -0.292
  758   HD22  LEU  97          1HD2      LEU  97 -11.019 -15.564   0.071
  759   HD23  LEU  97          2HD2      LEU  97  -9.309 -15.163  -0.096
  760    H    ASP  98           H        ASP  98  -6.680 -14.391  -4.351
  761    HA   ASP  98           HA       ASP  98  -4.881 -15.025  -5.566
  762    HB2  ASP  98           1HB      ASP  98  -3.729 -14.262  -3.449
  763    HB3  ASP  98           2HB      ASP  98  -3.660 -15.952  -2.961
  764    H    ARG  99           H        ARG  99  -7.033 -17.005  -4.846
  765    HA   ARG  99           HA       ARG  99  -5.568 -19.512  -5.205
  766    HB2  ARG  99           1HB      ARG  99  -8.500 -18.996  -4.703
  767    HB3  ARG  99           2HB      ARG  99  -7.793 -20.590  -4.933
  768    HG2  ARG  99           1HG      ARG  99  -6.348 -20.163  -2.959
  769    HG3  ARG  99           2HG      ARG  99  -7.237 -18.662  -2.694
  770    HD2  ARG  99           1HD      ARG  99  -9.313 -19.936  -2.470
  771    HD3  ARG  99           2HD      ARG  99  -8.426 -21.436  -2.741
  772    HE   ARG  99           HE       ARG  99  -8.638 -19.975  -0.304
  773   HH11  ARG  99          2HH1      ARG  99  -6.505 -22.087  -2.135
  774   HH12  ARG  99          1HH1      ARG  99  -5.590 -22.572  -0.735
  775   HH21  ARG  99          2HH2      ARG  99  -7.456 -20.644   1.531
  776   HH22  ARG  99          1HH2      ARG  99  -6.154 -21.782   1.349
  777    H    HIS 100           H        HIS 100  -5.374 -17.738  -7.282
  778    HA   HIS 100           HA       HIS 100  -7.296 -18.477  -9.314
  779    HB2  HIS 100           1HB      HIS 100  -5.898 -17.050 -10.823
  780    HB3  HIS 100           2HB      HIS 100  -6.573 -16.209  -9.440
  781    HD1  HIS 100           HD1      HIS 100  -4.558 -14.527 -10.268
  782    HD2  HIS 100           HD2      HIS 100  -3.447 -18.003  -8.280
  783    HE1  HIS 100           HE1      HIS 100  -2.206 -14.133  -9.477
  784    HE2  HIS 100           HE2      HIS 100  -1.619 -16.178  -8.126
  785    H    PHE 101           H        PHE 101  -6.964 -19.746 -11.043
  786    HA   PHE 101           HA       PHE 101  -4.495 -20.842 -11.847
  787    HB2  PHE 101           1HB      PHE 101  -5.096 -23.262 -11.193
  788    HB3  PHE 101           2HB      PHE 101  -4.400 -22.224  -9.960
  789    HD1  PHE 101           HD1      PHE 101  -7.912 -22.623 -11.204
  790    HD2  PHE 101           HD2      PHE 101  -5.207 -22.854  -7.927
  791    HE1  PHE 101           HE1      PHE 101  -9.788 -23.147  -9.698
  792    HE2  PHE 101           HE2      PHE 101  -7.079 -23.373  -6.416
  793    HZ   PHE 101           HZ       PHE 101  -9.369 -23.522  -7.302
  794    H    GLU 102           H        GLU 102  -6.468 -19.609 -13.207
  795    HA   GLU 102           HA       GLU 102  -8.397 -21.372 -14.304
  796    HB2  GLU 102           1HB      GLU 102  -8.684 -18.930 -14.303
  797    HB3  GLU 102           2HB      GLU 102  -7.327 -18.769 -15.409
  798    HG2  GLU 102           1HG      GLU 102  -9.440 -18.565 -16.587
  799    HG3  GLU 102           2HG      GLU 102  -8.547 -19.985 -17.126
  800    H    LYS 103           H        LYS 103  -8.153 -22.923 -15.692
  801    HA   LYS 103           HA       LYS 103  -7.351 -24.305 -17.276
  802    HB2  LYS 103           1HB      LYS 103  -6.018 -21.830 -18.394
  803    HB3  LYS 103           2HB      LYS 103  -6.243 -23.353 -19.245
  804    HG2  LYS 103           1HG      LYS 103  -8.704 -23.066 -18.980
  805    HG3  LYS 103           2HG      LYS 103  -8.384 -21.451 -18.341
  806    HD2  LYS 103           1HD      LYS 103  -7.373 -22.373 -21.020
  807    HD3  LYS 103           2HD      LYS 103  -8.941 -21.597 -20.809
  808    HE2  LYS 103           1HE      LYS 103  -6.370 -20.353 -19.871
  809    HE3  LYS 103           2HE      LYS 103  -7.017 -20.097 -21.491
  810    HZ1  LYS 103           3HZ      LYS 103  -9.042 -19.658 -19.570
  811    HZ2  LYS 103           1HZ      LYS 103  -8.393 -18.578 -20.702
  812    HZ3  LYS 103           2HZ      LYS 103  -7.677 -18.726 -19.174
  813    H    LYS 104           H        LYS 104  -4.506 -23.491 -18.488
  814    HA   LYS 104           HA       LYS 104  -3.153 -25.322 -16.757
  815    HB2  LYS 104           1HB      LYS 104  -2.874 -25.279 -19.237
  816    HB3  LYS 104           2HB      LYS 104  -2.017 -23.753 -19.077
  817    HG2  LYS 104           1HG      LYS 104  -0.490 -25.644 -19.335
  818    HG3  LYS 104           2HG      LYS 104  -0.277 -24.834 -17.782
  819    HD2  LYS 104           1HD      LYS 104  -0.205 -27.229 -17.464
  820    HD3  LYS 104           2HD      LYS 104  -1.662 -26.578 -16.715
  821    HE2  LYS 104           1HE      LYS 104  -2.254 -28.589 -17.858
  822    HE3  LYS 104           2HE      LYS 104  -2.925 -27.232 -18.762
  823    HZ1  LYS 104           3HZ      LYS 104  -0.424 -28.686 -19.438
  824    HZ2  LYS 104           1HZ      LYS 104  -1.095 -27.399 -20.322
  825    HZ3  LYS 104           2HZ      LYS 104  -1.918 -28.878 -20.215
  826    H    LYS 105           H        LYS 105  -3.045 -21.858 -17.292
  827    HA   LYS 105           HA       LYS 105  -0.665 -21.383 -15.820
  828    HB2  LYS 105           1HB      LYS 105  -2.966 -19.568 -16.541
  829    HB3  LYS 105           2HB      LYS 105  -1.561 -19.015 -15.645
  830    HG2  LYS 105           1HG      LYS 105  -1.122 -18.403 -17.844
  831    HG3  LYS 105           2HG      LYS 105  -0.182 -19.877 -17.615
  832    HD2  LYS 105           1HD      LYS 105  -1.288 -19.958 -19.757
  833    HD3  LYS 105           2HD      LYS 105  -2.008 -21.160 -18.685
  834    HE2  LYS 105           1HE      LYS 105  -3.767 -20.043 -19.878
  835    HE3  LYS 105           2HE      LYS 105  -3.828 -19.548 -18.187
  836    HZ1  LYS 105           3HZ      LYS 105  -2.199 -17.836 -19.833
  837    HZ2  LYS 105           1HZ      LYS 105  -3.420 -17.434 -18.727
  838    HZ3  LYS 105           2HZ      LYS 105  -3.827 -17.879 -20.310
  839    H    LYS 106           H        LYS 106  -0.321 -21.262 -13.709
  840    HA   LYS 106           HA       LYS 106  -2.574 -21.723 -11.896
  841    HB2  LYS 106           1HB      LYS 106  -0.248 -22.957 -11.929
  842    HB3  LYS 106           2HB      LYS 106   0.295 -21.549 -11.030
  843    HG2  LYS 106           1HG      LYS 106  -0.251 -23.232  -9.459
  844    HG3  LYS 106           2HG      LYS 106  -1.517 -22.008  -9.375
  845    HD2  LYS 106           1HD      LYS 106  -2.543 -24.176  -9.300
  846    HD3  LYS 106           2HD      LYS 106  -2.921 -23.429 -10.851
  847    HE2  LYS 106           1HE      LYS 106  -0.573 -25.274 -10.582
  848    HE3  LYS 106           2HE      LYS 106  -2.200 -25.924 -10.771
  849    HZ1  LYS 106           3HZ      LYS 106  -0.585 -24.375 -12.688
  850    HZ2  LYS 106           1HZ      LYS 106  -2.280 -24.309 -12.780
  851    HZ3  LYS 106           2HZ      LYS 106  -1.481 -25.793 -12.932
  852    H    VAL 107           H        VAL 107  -1.505 -19.134 -13.293
  853    HA   VAL 107           HA       VAL 107  -1.912 -17.404 -10.965
  854    HB   VAL 107           HB       VAL 107   0.259 -16.920 -13.023
  855   HG11  VAL 107          1HG1      VAL 107  -1.131 -15.124 -11.389
  856   HG12  VAL 107          2HG1      VAL 107   0.450 -15.338 -10.638
  857   HG13  VAL 107          3HG1      VAL 107   0.336 -14.819 -12.318
  858   HG21  VAL 107          3HG2      VAL 107   0.570 -17.617 -10.107
  859   HG22  VAL 107          1HG2      VAL 107   0.837 -18.732 -11.446
  860   HG23  VAL 107          2HG2      VAL 107   1.865 -17.310 -11.263
  Start of MODEL   12
    1    H1   GLY  -1           1H       GLY  -1 -24.218  -9.068 -24.635
    2    H2   GLY  -1           2H       GLY  -1 -25.234  -8.638 -23.348
    3    H3   GLY  -1           3H       GLY  -1 -23.865  -9.594 -23.058
    4    HA2  GLY  -1           1HA      GLY  -1 -22.404  -7.792 -23.606
    5    HA3  GLY  -1           2HA      GLY  -1 -23.787  -6.801 -24.057
    6    H    GLY   0           H        GLY   0 -21.598  -6.695 -21.902
    7    HA2  GLY   0           2HA      GLY   0 -21.539  -5.638 -19.850
    8    HA3  GLY   0           1HA      GLY   0 -23.292  -5.545 -19.887
    9    H    SER   1           H        SER   1 -21.051  -8.308 -19.942
   10    HA   SER   1           HA       SER   1 -22.637  -9.861 -18.190
   11    HB2  SER   1           1HB      SER   1 -19.706 -10.153 -18.904
   12    HB3  SER   1           2HB      SER   1 -20.698 -11.386 -18.123
   13    HG   SER   1           HG       SER   1 -21.808 -11.698 -19.958
   14    H    SER   2           H        SER   2 -19.867  -7.750 -17.731
   15    HA   SER   2           HA       SER   2 -18.854  -6.876 -15.907
   16    HB2  SER   2           1HB      SER   2 -21.351  -6.136 -15.726
   17    HB3  SER   2           2HB      SER   2 -21.406  -7.258 -14.366
   18    HG   SER   2           HG       SER   2 -20.272  -5.908 -13.202
   19    H    ARG   3           H        ARG   3 -18.159  -9.436 -16.173
   20    HA   ARG   3           HA       ARG   3 -18.420 -10.681 -13.529
   21    HB2  ARG   3           1HB      ARG   3 -17.283 -11.732 -16.127
   22    HB3  ARG   3           2HB      ARG   3 -17.253 -12.619 -14.609
   23    HG2  ARG   3           1HG      ARG   3 -19.720 -11.726 -16.087
   24    HG3  ARG   3           2HG      ARG   3 -19.077 -13.369 -16.020
   25    HD2  ARG   3           1HD      ARG   3 -19.414 -13.405 -13.602
   26    HD3  ARG   3           2HD      ARG   3 -20.038 -11.759 -13.657
   27    HE   ARG   3           HE       ARG   3 -21.559 -13.349 -15.396
   28   HH11  ARG   3          2HH1      ARG   3 -20.934 -12.935 -11.975
   29   HH12  ARG   3          1HH1      ARG   3 -22.500 -13.524 -11.485
   30   HH21  ARG   3          2HH2      ARG   3 -23.630 -14.099 -14.756
   31   HH22  ARG   3          1HH2      ARG   3 -24.031 -14.185 -13.064
   32    H    HIS   4           H        HIS   4 -17.140  -8.474 -13.216
   33    HA   HIS   4           HA       HIS   4 -14.305  -8.707 -13.733
   34    HB2  HIS   4           1HB      HIS   4 -15.942  -6.612 -12.288
   35    HB3  HIS   4           2HB      HIS   4 -14.197  -6.521 -12.485
   36    HD1  HIS   4           HD1      HIS   4 -15.567  -4.219 -13.618
   37    HD2  HIS   4           HD2      HIS   4 -15.162  -7.748 -15.779
   38    HE1  HIS   4           HE1      HIS   4 -15.820  -3.571 -16.036
   39    HE2  HIS   4           HE2      HIS   4 -15.330  -5.684 -17.323
   40    H    GLN   5           H        GLN   5 -12.724  -9.018 -12.276
   41    HA   GLN   5           HA       GLN   5 -13.362 -10.118  -9.653
   42    HB2  GLN   5           1HB      GLN   5 -10.916 -10.370  -9.462
   43    HB3  GLN   5           2HB      GLN   5 -11.557 -11.132 -10.912
   44    HG2  GLN   5           1HG      GLN   5 -10.869  -9.151 -12.210
   45    HG3  GLN   5           2HG      GLN   5 -10.146  -8.482 -10.747
   46   HE21  GLN   5          1HE2      GLN   5  -8.207  -9.178 -10.085
   47   HE22  GLN   5          2HE2      GLN   5  -7.276 -10.362 -10.923
   48    H    PHE   6           H        PHE   6 -14.211  -7.485 -10.210
   49    HA   PHE   6           HA       PHE   6 -14.316  -5.385  -9.375
   50    HB2  PHE   6           1HB      PHE   6 -12.036  -6.048  -7.520
   51    HB3  PHE   6           2HB      PHE   6 -13.116  -4.675  -7.407
   52    HD1  PHE   6           HD1      PHE   6 -12.867  -8.325  -7.057
   53    HD2  PHE   6           HD2      PHE   6 -15.190  -4.843  -6.311
   54    HE1  PHE   6           HE1      PHE   6 -14.336  -9.631  -5.563
   55    HE2  PHE   6           HE2      PHE   6 -16.670  -6.137  -4.825
   56    HZ   PHE   6           HZ       PHE   6 -16.242  -8.534  -4.448
   57    H    ASP   7           H        ASP   7 -11.490  -6.865 -10.489
   58    HA   ASP   7           HA       ASP   7  -9.863  -6.272 -11.910
   59    HB2  ASP   7           1HB      ASP   7 -11.938  -4.231 -12.367
   60    HB3  ASP   7           2HB      ASP   7 -10.331  -3.842 -12.971
   61    H    LEU   8           H        LEU   8  -9.308  -5.835  -9.272
   62    HA   LEU   8           HA       LEU   8  -8.050  -3.226  -9.000
   63    HB2  LEU   8           1HB      LEU   8  -7.553  -5.471  -7.116
   64    HB3  LEU   8           2HB      LEU   8  -7.672  -3.747  -6.803
   65    HG   LEU   8           HG       LEU   8 -10.172  -4.346  -7.706
   66   HD11  LEU   8          1HD1      LEU   8 -10.147  -6.614  -7.736
   67   HD12  LEU   8          2HD1      LEU   8  -8.964  -6.730  -6.434
   68   HD13  LEU   8          3HD1      LEU   8 -10.641  -6.342  -6.057
   69   HD21  LEU   8          3HD2      LEU   8  -9.445  -2.957  -5.780
   70   HD22  LEU   8          1HD2      LEU   8 -10.872  -3.952  -5.468
   71   HD23  LEU   8          2HD2      LEU   8  -9.297  -4.439  -4.834
   72    H    ILE   9           H        ILE   9  -6.983  -4.166 -11.142
   73    HA   ILE   9           HA       ILE   9  -4.743  -5.898 -10.757
   74    HB   ILE   9           HB       ILE   9  -5.628  -4.206 -13.094
   75   HG12  ILE   9          1HG1      ILE   9  -5.927  -6.441 -14.151
   76   HG13  ILE   9          2HG1      ILE   9  -5.457  -7.195 -12.635
   77   HG21  ILE   9          1HG2      ILE   9  -3.210  -4.231 -13.154
   78   HG22  ILE   9          2HG2      ILE   9  -3.197  -5.985 -12.945
   79   HG23  ILE   9          3HG2      ILE   9  -3.855  -5.277 -14.423
   80   HD11  ILE   9          3HD1      ILE   9  -7.921  -7.091 -13.101
   81   HD12  ILE   9          1HD1      ILE   9  -7.401  -6.434 -11.544
   82   HD13  ILE   9          2HD1      ILE   9  -7.804  -5.341 -12.873
   83    H    MET  10           H        MET  10  -4.123  -4.587  -8.904
   84    HA   MET  10           HA       MET  10  -3.309  -2.022  -8.878
   85    HB2  MET  10           1HB      MET  10  -1.620  -2.703  -7.077
   86    HB3  MET  10           2HB      MET  10  -3.314  -3.062  -6.806
   87    HG2  MET  10           1HG      MET  10  -2.989  -5.362  -7.326
   88    HG3  MET  10           2HG      MET  10  -1.335  -5.058  -7.853
   89    HE1  MET  10           3HE      MET  10  -2.874  -4.727  -3.549
   90    HE2  MET  10           1HE      MET  10  -2.492  -3.201  -4.348
   91    HE3  MET  10           2HE      MET  10  -3.722  -4.270  -5.028
   92    H    CYS  11           H        CYS  11  -1.416  -0.889  -8.944
   93    HA   CYS  11           HA       CYS  11  -0.095  -0.791 -11.265
   94    HB2  CYS  11           1HB      CYS  11  -0.083   0.934  -9.555
   95    HB3  CYS  11           2HB      CYS  11   0.964  -0.045  -8.543
   96    H    LEU  12           H        LEU  12   1.333  -2.224  -8.349
   97    HA   LEU  12           HA       LEU  12   3.026  -3.664  -7.996
   98    HB2  LEU  12           1HB      LEU  12   1.673  -4.873 -10.387
   99    HB3  LEU  12           2HB      LEU  12   2.874  -5.715  -9.421
  100    HG   LEU  12           HG       LEU  12   0.245  -4.644  -8.407
  101   HD11  LEU  12          1HD1      LEU  12   0.430  -6.779  -9.927
  102   HD12  LEU  12          2HD1      LEU  12   0.956  -7.522  -8.416
  103   HD13  LEU  12          3HD1      LEU  12  -0.622  -6.739  -8.512
  104   HD21  LEU  12          3HD2      LEU  12   1.970  -4.532  -6.710
  105   HD22  LEU  12          1HD2      LEU  12   0.829  -5.824  -6.341
  106   HD23  LEU  12          2HD2      LEU  12   2.411  -6.213  -7.021
  107    H    LYS  13           H        LYS  13   4.023  -1.466  -9.336
  108    HA   LYS  13           HA       LYS  13   5.981  -2.447 -11.248
  109    HB2  LYS  13           1HB      LYS  13   5.526   0.182  -9.878
  110    HB3  LYS  13           2HB      LYS  13   7.080  -0.169 -10.615
  111    HG2  LYS  13           1HG      LYS  13   5.942  -0.553 -12.756
  112    HG3  LYS  13           2HG      LYS  13   4.416  -0.091 -11.993
  113    HD2  LYS  13           1HD      LYS  13   5.210   2.123 -11.574
  114    HD3  LYS  13           2HD      LYS  13   6.855   1.686 -12.054
  115    HE2  LYS  13           1HE      LYS  13   6.086   1.266 -14.308
  116    HE3  LYS  13           2HE      LYS  13   4.444   1.666 -13.836
  117    HZ1  LYS  13           3HZ      LYS  13   6.771   3.482 -14.005
  118    HZ2  LYS  13           1HZ      LYS  13   5.309   3.916 -13.268
  119    HZ3  LYS  13           2HZ      LYS  13   5.343   3.538 -14.917
  120    H    GLN  14           H        GLN  14   8.323  -1.587 -10.457
  121    HA   GLN  14           HA       GLN  14   9.063  -3.230  -8.208
  122    HB2  GLN  14           1HB      GLN  14  10.414  -2.317 -10.388
  123    HB3  GLN  14           2HB      GLN  14  10.947  -1.163  -9.175
  124    HG2  GLN  14           1HG      GLN  14  11.166  -4.153  -8.939
  125    HG3  GLN  14           2HG      GLN  14  12.469  -3.070  -9.424
  126   HE21  GLN  14          1HE2      GLN  14  11.311  -4.796  -6.943
  127   HE22  GLN  14          2HE2      GLN  14  11.950  -3.884  -5.609
  128    HA   PRO  15           HA       PRO  15   7.808   0.029  -5.452
  129    HB2  PRO  15           1HB      PRO  15   8.396  -1.290  -3.135
  130    HB3  PRO  15           2HB      PRO  15   6.916  -1.525  -4.064
  131    HG2  PRO  15           1HG      PRO  15   9.351  -3.223  -3.920
  132    HG3  PRO  15           2HG      PRO  15   7.659  -3.704  -4.130
  133    HD2  PRO  15           1HD      PRO  15   9.505  -3.612  -6.159
  134    HD3  PRO  15           2HD      PRO  15   7.753  -3.463  -6.398
  135    H    GLY  16           H        GLY  16   8.772   1.672  -4.355
  136    HA2  GLY  16           2HA      GLY  16  11.708   1.561  -4.213
  137    HA3  GLY  16           1HA      GLY  16  10.740   3.028  -4.258
  138    H    VAL  17           H        VAL  17  11.969   3.730  -2.433
  139    HA   VAL  17           HA       VAL  17  11.775   2.332   0.065
  140    HB   VAL  17           HB       VAL  17  13.707   3.769  -0.518
  141   HG11  VAL  17          1HG1      VAL  17  12.853   6.325   0.173
  142   HG12  VAL  17          2HG1      VAL  17  13.336   5.756  -1.425
  143   HG13  VAL  17          3HG1      VAL  17  11.637   5.723  -0.953
  144   HG21  VAL  17          3HG2      VAL  17  13.839   3.507   1.711
  145   HG22  VAL  17          1HG2      VAL  17  13.432   5.222   1.735
  146   HG23  VAL  17          2HG2      VAL  17  12.172   4.014   1.980
  147    H    GLN  18           H        GLN  18   9.877   4.642  -1.615
  148    HA   GLN  18           HA       GLN  18   8.650   5.981   0.511
  149    HB2  GLN  18           1HB      GLN  18   7.741   5.457  -2.316
  150    HB3  GLN  18           2HB      GLN  18   6.861   6.490  -1.199
  151    HG2  GLN  18           1HG      GLN  18   9.750   6.941  -1.867
  152    HG3  GLN  18           2HG      GLN  18   8.440   7.627  -2.822
  153   HE21  GLN  18          1HE2      GLN  18   8.090   9.653  -2.333
  154   HE22  GLN  18          2HE2      GLN  18   8.157  10.357  -0.757
  155    H    THR  19           H        THR  19   7.124   5.466   1.891
  156    HA   THR  19           HA       THR  19   5.922   2.835   1.830
  157    HB   THR  19           HB       THR  19   5.457   5.074   3.807
  158    HG1  THR  19           HG1      THR  19   7.720   4.381   3.513
  159   HG21  THR  19          1HG2      THR  19   5.207   2.868   5.259
  160   HG22  THR  19          2HG2      THR  19   4.758   2.187   3.697
  161   HG23  THR  19          3HG2      THR  19   3.849   3.544   4.359
  162    H    GLY  20           H        GLY  20   3.840   2.355   1.354
  163    HA2  GLY  20           2HA      GLY  20   2.344   4.146  -0.244
  164    HA3  GLY  20           1HA      GLY  20   1.781   2.596   0.361
  165    H    LEU  21           H        LEU  21   0.952   5.680   0.250
  166    HA   LEU  21           HA       LEU  21   0.248   6.180   2.989
  167    HB2  LEU  21           1HB      LEU  21  -0.412   7.610   0.421
  168    HB3  LEU  21           2HB      LEU  21  -0.986   8.137   1.990
  169    HG   LEU  21           HG       LEU  21   1.903   7.975   1.123
  170   HD11  LEU  21          1HD1      LEU  21   1.822  10.408   1.294
  171   HD12  LEU  21          2HD1      LEU  21   0.665   9.815   0.103
  172   HD13  LEU  21          3HD1      LEU  21   0.107  10.326   1.698
  173   HD21  LEU  21          3HD2      LEU  21   2.239   7.718   3.335
  174   HD22  LEU  21          1HD2      LEU  21   1.881   9.444   3.392
  175   HD23  LEU  21          2HD2      LEU  21   0.616   8.267   3.754
  176    H    LEU  22           H        LEU  22  -1.698   6.104   3.941
  177    HA   LEU  22           HA       LEU  22  -3.959   5.024   2.381
  178    HB2  LEU  22           1HB      LEU  22  -3.388   4.595   5.317
  179    HB3  LEU  22           2HB      LEU  22  -4.822   4.050   4.472
  180    HG   LEU  22           HG       LEU  22  -2.012   3.083   4.053
  181   HD11  LEU  22          1HD1      LEU  22  -3.015   2.181   6.045
  182   HD12  LEU  22          2HD1      LEU  22  -4.492   1.786   5.168
  183   HD13  LEU  22          3HD1      LEU  22  -2.995   0.930   4.801
  184   HD21  LEU  22          3HD2      LEU  22  -4.113   1.585   2.742
  185   HD22  LEU  22          1HD2      LEU  22  -4.005   3.240   2.142
  186   HD23  LEU  22          2HD2      LEU  22  -2.588   2.191   2.097
  187    H    CYS  23           H        CYS  23  -5.931   5.976   2.709
  188    HA   CYS  23           HA       CYS  23  -5.943   8.578   4.001
  189    HB2  CYS  23           1HB      CYS  23  -8.062   8.921   3.025
  190    HB3  CYS  23           2HB      CYS  23  -7.178   8.014   1.805
  191    H    GLU  24           H        GLU  24  -7.543   9.020   5.702
  192    HA   GLU  24           HA       GLU  24  -7.292   7.286   7.837
  193    HB2  GLU  24           1HB      GLU  24  -9.454   9.356   7.412
  194    HB3  GLU  24           2HB      GLU  24  -8.990   8.658   8.958
  195    HG2  GLU  24           1HG      GLU  24  -6.808   9.663   8.809
  196    HG3  GLU  24           2HG      GLU  24  -7.158  10.263   7.189
  197    H    LYS  25           H        LYS  25  -9.667   7.292   5.294
  198    HA   LYS  25           HA       LYS  25 -11.627   5.703   6.605
  199    HB2  LYS  25           1HB      LYS  25 -11.159   6.071   3.646
  200    HB3  LYS  25           2HB      LYS  25 -12.619   5.432   4.390
  201    HG2  LYS  25           1HG      LYS  25 -11.534   8.219   4.730
  202    HG3  LYS  25           2HG      LYS  25 -12.904   7.749   3.723
  203    HD2  LYS  25           1HD      LYS  25 -14.114   6.998   5.695
  204    HD3  LYS  25           2HD      LYS  25 -12.732   7.410   6.715
  205    HE2  LYS  25           1HE      LYS  25 -12.959   9.765   5.998
  206    HE3  LYS  25           2HE      LYS  25 -14.397   9.320   5.077
  207    HZ1  LYS  25           3HZ      LYS  25 -14.215   8.723   7.961
  208    HZ2  LYS  25           1HZ      LYS  25 -15.598   8.907   6.994
  209    HZ3  LYS  25           2HZ      LYS  25 -14.680  10.265   7.434
  210    H    CYS  26           H        CYS  26  -8.671   4.914   4.928
  211    HA   CYS  26           HA       CYS  26  -9.402   2.056   5.049
  212    HB2  CYS  26           1HB      CYS  26  -7.164   3.263   3.406
  213    HB3  CYS  26           2HB      CYS  26  -7.736   1.602   3.360
  214    H    ASP  27           H        ASP  27  -8.466   3.893   7.142
  215    HA   ASP  27           HA       ASP  27  -5.750   3.556   7.695
  216    HB2  ASP  27           1HB      ASP  27  -6.924   5.277   8.841
  217    HB3  ASP  27           2HB      ASP  27  -8.107   4.142   9.482
  218    H    GLY  28           H        GLY  28  -4.603   1.968   8.420
  219    HA2  GLY  28           2HA      GLY  28  -3.960   0.067   9.527
  220    HA3  GLY  28           1HA      GLY  28  -5.501   0.113  10.365
  221    H    LYS  29           H        LYS  29  -5.184  -0.090   6.875
  222    HA   LYS  29           HA       LYS  29  -6.204  -2.849   7.018
  223    HB2  LYS  29           1HB      LYS  29  -6.561  -0.802   4.822
  224    HB3  LYS  29           2HB      LYS  29  -7.062  -2.478   4.709
  225    HG2  LYS  29           1HG      LYS  29  -8.568  -2.094   6.648
  226    HG3  LYS  29           2HG      LYS  29  -8.150  -0.381   6.561
  227    HD2  LYS  29           1HD      LYS  29  -9.047  -0.213   4.339
  228    HD3  LYS  29           2HD      LYS  29  -9.300  -1.957   4.263
  229    HE2  LYS  29           1HE      LYS  29 -10.905  -1.744   6.149
  230    HE3  LYS  29           2HE      LYS  29 -10.716   0.006   6.059
  231    HZ1  LYS  29           3HZ      LYS  29 -12.209   0.071   4.444
  232    HZ2  LYS  29           1HZ      LYS  29 -12.437  -1.604   4.577
  233    HZ3  LYS  29           2HZ      LYS  29 -11.292  -0.994   3.492
  234    H    CYS  30           H        CYS  30  -5.205  -4.419   5.902
  235    HA   CYS  30           HA       CYS  30  -2.625  -3.872   4.668
  236    HB2  CYS  30           1HB      CYS  30  -2.692  -5.844   6.010
  237    HB3  CYS  30           2HB      CYS  30  -4.192  -6.384   5.270
  238    HA   PRO  31           HA       PRO  31  -4.846  -3.038   0.860
  239    HB2  PRO  31           1HB      PRO  31  -2.563  -3.038  -0.724
  240    HB3  PRO  31           2HB      PRO  31  -3.218  -1.640   0.133
  241    HG2  PRO  31           1HG      PRO  31  -1.002  -3.480   0.917
  242    HG3  PRO  31           2HG      PRO  31  -1.135  -1.724   1.127
  243    HD2  PRO  31           1HD      PRO  31  -1.530  -3.399   3.175
  244    HD3  PRO  31           2HD      PRO  31  -2.508  -1.927   2.993
  245    H    ILE  32           H        ILE  32  -2.522  -5.617   1.256
  246    HA   ILE  32           HA       ILE  32  -2.926  -6.910  -1.196
  247    HB   ILE  32           HB       ILE  32  -2.100  -8.177   1.417
  248   HG12  ILE  32          1HG1      ILE  32  -0.712  -6.183   0.725
  249   HG13  ILE  32          2HG1      ILE  32   0.181  -7.696   0.833
  250   HG21  ILE  32          1HG2      ILE  32  -2.543  -9.252  -1.185
  251   HG22  ILE  32          2HG2      ILE  32  -0.824  -9.359  -0.802
  252   HG23  ILE  32          3HG2      ILE  32  -2.015 -10.078   0.284
  253   HD11  ILE  32          3HD1      ILE  32   0.444  -6.027  -1.195
  254   HD12  ILE  32          1HD1      ILE  32   0.582  -7.777  -1.385
  255   HD13  ILE  32          2HD1      ILE  32  -0.925  -6.957  -1.806
  256    H    CYS  33           H        CYS  33  -4.568  -7.337   1.945
  257    HA   CYS  33           HA       CYS  33  -6.382  -9.208   0.573
  258    HB2  CYS  33           1HB      CYS  33  -6.533 -10.509   2.632
  259    HB3  CYS  33           2HB      CYS  33  -4.863 -10.381   2.092
  260    H    ASP  34           H        ASP  34  -6.244  -6.313   2.337
  261    HA   ASP  34           HA       ASP  34  -7.819  -4.917   3.190
  262    HB2  ASP  34           1HB      ASP  34  -9.023  -5.317   1.076
  263    HB3  ASP  34           2HB      ASP  34  -9.795  -6.732   1.782
  264    H    SER  35           H        SER  35  -7.087  -5.866   5.241
  265    HA   SER  35           HA       SER  35  -9.294  -6.765   6.825
  266    HB2  SER  35           1HB      SER  35  -8.560  -8.906   5.798
  267    HB3  SER  35           2HB      SER  35  -6.945  -8.647   6.451
  268    HG   SER  35           HG       SER  35  -8.495 -10.032   7.684
  269    H    TYR  36           H        TYR  36  -8.984  -6.337   8.969
  270    HA   TYR  36           HA       TYR  36  -6.657  -4.738   9.632
  271    HB2  TYR  36           1HB      TYR  36  -9.235  -5.361  11.056
  272    HB3  TYR  36           2HB      TYR  36  -7.915  -4.536  11.875
  273    HD1  TYR  36           HD2      TYR  36  -9.788  -4.257   8.642
  274    HD2  TYR  36           HD1      TYR  36  -8.037  -2.260  11.959
  275    HE1  TYR  36           HE2      TYR  36 -10.577  -2.105   7.753
  276    HE2  TYR  36           HE1      TYR  36  -8.828  -0.105  11.092
  277    HH   TYR  36           HH       TYR  36  -9.418   0.829   8.781
  278    H    VAL  37           H        VAL  37  -6.186  -7.573   9.240
  279    HA   VAL  37           HA       VAL  37  -5.766  -8.696  11.868
  280    HB   VAL  37           HB       VAL  37  -6.243 -10.047   9.745
  281   HG11  VAL  37          1HG1      VAL  37  -3.471 -10.456   9.118
  282   HG12  VAL  37          2HG1      VAL  37  -4.827 -10.086   8.051
  283   HG13  VAL  37          3HG1      VAL  37  -3.943  -8.777   8.834
  284   HG21  VAL  37          3HG2      VAL  37  -3.805 -11.101  11.098
  285   HG22  VAL  37          1HG2      VAL  37  -5.277 -10.839  12.033
  286   HG23  VAL  37          2HG2      VAL  37  -5.295 -11.933  10.648
  287    H    ARG  38           H        ARG  38  -3.629  -9.266  12.652
  288    HA   ARG  38           HA       ARG  38  -2.032  -7.210  13.204
  289    HB2  ARG  38           1HB      ARG  38  -1.249 -10.098  12.875
  290    HB3  ARG  38           2HB      ARG  38  -0.151  -8.893  13.531
  291    HG2  ARG  38           1HG      ARG  38  -2.849  -9.562  14.680
  292    HG3  ARG  38           2HG      ARG  38  -1.310 -10.200  15.261
  293    HD2  ARG  38           1HD      ARG  38  -2.115  -7.294  15.182
  294    HD3  ARG  38           2HD      ARG  38  -2.052  -8.310  16.621
  295    HE   ARG  38           HE       ARG  38   0.466  -8.424  15.474
  296   HH11  ARG  38          2HH1      ARG  38  -1.620  -5.987  16.903
  297   HH12  ARG  38          1HH1      ARG  38  -0.296  -4.969  17.396
  298   HH21  ARG  38          2HH2      ARG  38   2.201  -7.080  16.135
  299   HH22  ARG  38          1HH2      ARG  38   1.855  -5.589  16.959
  300    HA   PRO  39           HA       PRO  39   0.233  -6.273   9.462
  301    HB2  PRO  39           1HB      PRO  39   1.432  -4.054  10.368
  302    HB3  PRO  39           2HB      PRO  39  -0.297  -4.089  10.009
  303    HG2  PRO  39           1HG      PRO  39   1.093  -4.174  12.642
  304    HG3  PRO  39           2HG      PRO  39  -0.447  -3.415  12.205
  305    HD2  PRO  39           1HD      PRO  39  -0.130  -5.884  13.474
  306    HD3  PRO  39           2HD      PRO  39  -1.612  -5.287  12.704
  307    H    LYS  40           H        LYS  40   2.431  -6.368   8.759
  308    HA   LYS  40           HA       LYS  40   4.314  -7.300  10.828
  309    HB2  LYS  40           1HB      LYS  40   3.392  -9.145   9.436
  310    HB3  LYS  40           2HB      LYS  40   4.087  -8.377   8.016
  311    HG2  LYS  40           1HG      LYS  40   5.544 -10.131   8.696
  312    HG3  LYS  40           2HG      LYS  40   6.330  -8.597   9.074
  313    HD2  LYS  40           1HD      LYS  40   5.395  -8.854  11.414
  314    HD3  LYS  40           2HD      LYS  40   4.964 -10.505  10.962
  315    HE2  LYS  40           1HE      LYS  40   7.739  -9.323  10.911
  316    HE3  LYS  40           2HE      LYS  40   7.107 -10.410  12.145
  317    HZ1  LYS  40           3HZ      LYS  40   8.475 -11.184   9.964
  318    HZ2  LYS  40           1HZ      LYS  40   6.877 -11.421   9.447
  319    HZ3  LYS  40           2HZ      LYS  40   7.440 -12.185  10.854
  320    H    ARG  41           H        ARG  41   4.021  -5.749   7.636
  321    HA   ARG  41           HA       ARG  41   6.530  -4.329   8.136
  322    HB2  ARG  41           1HB      ARG  41   7.265  -6.352   7.022
  323    HB3  ARG  41           2HB      ARG  41   6.045  -6.157   5.772
  324    HG2  ARG  41           1HG      ARG  41   8.169  -5.540   4.877
  325    HG3  ARG  41           2HG      ARG  41   7.190  -4.084   5.048
  326    HD2  ARG  41           1HD      ARG  41   9.459  -3.646   5.767
  327    HD3  ARG  41           2HD      ARG  41   8.361  -3.556   7.141
  328    HE   ARG  41           HE       ARG  41   9.561  -5.213   8.127
  329   HH11  ARG  41          2HH1      ARG  41  10.040  -5.483   4.664
  330   HH12  ARG  41          1HH1      ARG  41  11.235  -6.737   4.795
  331   HH21  ARG  41          2HH2      ARG  41  11.129  -6.889   8.298
  332   HH22  ARG  41          1HH2      ARG  41  11.823  -7.559   6.849
  333    H    LYS  42           H        LYS  42   6.631  -2.334   7.177
  334    HA   LYS  42           HA       LYS  42   4.269  -1.116   6.265
  335    HB2  LYS  42           1HB      LYS  42   7.146  -0.312   6.264
  336    HB3  LYS  42           2HB      LYS  42   5.992   0.642   5.346
  337    HG2  LYS  42           1HG      LYS  42   4.638   0.754   7.510
  338    HG3  LYS  42           2HG      LYS  42   6.108   0.180   8.302
  339    HD2  LYS  42           1HD      LYS  42   7.344   2.082   7.530
  340    HD3  LYS  42           2HD      LYS  42   5.998   2.606   6.516
  341    HE2  LYS  42           1HE      LYS  42   4.636   2.886   8.585
  342    HE3  LYS  42           2HE      LYS  42   6.083   2.527   9.528
  343    HZ1  LYS  42           3HZ      LYS  42   6.924   4.473   7.854
  344    HZ2  LYS  42           1HZ      LYS  42   6.414   4.717   9.455
  345    HZ3  LYS  42           2HZ      LYS  42   5.328   4.949   8.169
  346    H    VAL  43           H        VAL  43   3.462  -0.625   4.364
  347    HA   VAL  43           HA       VAL  43   4.141  -2.235   2.116
  348    HB   VAL  43           HB       VAL  43   2.112  -0.131   2.713
  349   HG11  VAL  43          1HG1      VAL  43   2.944   0.423   0.472
  350   HG12  VAL  43          2HG1      VAL  43   2.591  -1.223  -0.048
  351   HG13  VAL  43          3HG1      VAL  43   1.277  -0.154   0.449
  352   HG21  VAL  43          3HG2      VAL  43   1.691  -2.448   3.332
  353   HG22  VAL  43          1HG2      VAL  43   0.564  -1.905   2.089
  354   HG23  VAL  43          2HG2      VAL  43   1.922  -2.943   1.656
  355    H    ARG  44           H        ARG  44   5.307  -1.745   0.345
  356    HA   ARG  44           HA       ARG  44   6.433   0.972   0.167
  357    HB2  ARG  44           1HB      ARG  44   7.609  -1.601  -0.904
  358    HB3  ARG  44           2HB      ARG  44   8.298   0.000  -1.124
  359    HG2  ARG  44           1HG      ARG  44   9.556  -0.690   0.629
  360    HG3  ARG  44           2HG      ARG  44   8.203   0.003   1.520
  361    HD2  ARG  44           1HD      ARG  44   8.534  -2.059   2.551
  362    HD3  ARG  44           2HD      ARG  44   7.198  -2.360   1.444
  363    HE   ARG  44           HE       ARG  44   9.906  -3.410   1.269
  364   HH11  ARG  44          2HH1      ARG  44   6.756  -3.114  -0.248
  365   HH12  ARG  44          1HH1      ARG  44   7.072  -4.325  -1.445
  366   HH21  ARG  44          2HH2      ARG  44  10.344  -4.976  -0.321
  367   HH22  ARG  44          1HH2      ARG  44   9.120  -5.394  -1.492
  368    H    VAL  45           H        VAL  45   5.859   2.137  -1.541
  369    HA   VAL  45           HA       VAL  45   4.447   0.763  -3.725
  370    HB   VAL  45           HB       VAL  45   3.626   3.037  -4.370
  371   HG11  VAL  45          1HG1      VAL  45   2.570   2.924  -1.690
  372   HG12  VAL  45          2HG1      VAL  45   1.792   2.545  -3.226
  373   HG13  VAL  45          3HG1      VAL  45   2.728   1.310  -2.384
  374   HG21  VAL  45          3HG2      VAL  45   5.568   3.953  -2.630
  375   HG22  VAL  45          1HG2      VAL  45   4.279   4.915  -3.354
  376   HG23  VAL  45          2HG2      VAL  45   4.062   4.218  -1.748
  377    H    CYS  46           H        CYS  46   4.892   1.394  -5.901
  378    HA   CYS  46           HA       CYS  46   7.668   1.612  -6.431
  379    HB2  CYS  46           1HB      CYS  46   7.150   1.246  -8.632
  380    HB3  CYS  46           2HB      CYS  46   5.677   0.632  -7.892
  381    H    GLU  47           H        GLU  47   8.866   3.313  -7.093
  382    HA   GLU  47           HA       GLU  47   8.243   5.765  -6.028
  383    HB2  GLU  47           1HB      GLU  47  10.416   4.681  -7.621
  384    HB3  GLU  47           2HB      GLU  47  10.165   6.403  -7.889
  385    HG2  GLU  47           1HG      GLU  47  10.386   6.862  -5.547
  386    HG3  GLU  47           2HG      GLU  47  10.445   5.141  -5.172
  387    H    ASN  48           H        ASN  48   7.297   4.620  -9.214
  388    HA   ASN  48           HA       ASN  48   6.886   7.192 -10.350
  389    HB2  ASN  48           1HB      ASN  48   5.410   4.610 -10.897
  390    HB3  ASN  48           2HB      ASN  48   5.372   6.052 -11.909
  391   HD21  ASN  48          1HD2      ASN  48   6.869   6.286 -13.425
  392   HD22  ASN  48          2HD2      ASN  48   8.264   5.280 -13.606
  393    H    CYS  49           H        CYS  49   5.083   5.218  -8.114
  394    HA   CYS  49           HA       CYS  49   2.867   7.139  -8.099
  395    HB2  CYS  49           1HB      CYS  49   3.219   4.576  -6.547
  396    HB3  CYS  49           2HB      CYS  49   1.778   5.589  -6.547
  397    H    SER  50           H        SER  50   5.341   8.097  -7.341
  398    HA   SER  50           HA       SER  50   4.791   8.804  -4.556
  399    HB2  SER  50           1HB      SER  50   7.571   8.175  -5.580
  400    HB3  SER  50           2HB      SER  50   7.124   8.629  -3.935
  401    HG   SER  50           HG       SER  50   5.643   6.545  -4.626
  402    H    PHE  51           H        PHE  51   6.572   9.484  -7.530
  403    HA   PHE  51           HA       PHE  51   6.147  12.347  -6.993
  404    HB2  PHE  51           1HB      PHE  51   8.292  12.741  -8.290
  405    HB3  PHE  51           2HB      PHE  51   8.477  12.051  -6.684
  406    HD1  PHE  51           HD2      PHE  51   8.100  10.896 -10.226
  407    HD2  PHE  51           HD1      PHE  51   9.943  10.321  -6.434
  408    HE1  PHE  51           HE2      PHE  51   9.447   9.065 -11.163
  409    HE2  PHE  51           HE1      PHE  51  11.304   8.499  -7.370
  410    HZ   PHE  51           HZ       PHE  51  11.055   7.866  -9.735
  411    H    GLY  52           H        GLY  52   4.564  10.380  -8.490
  412    HA2  GLY  52           2HA      GLY  52   4.884  11.446 -11.220
  413    HA3  GLY  52           1HA      GLY  52   4.173   9.888 -10.834
  414    H    LYS  53           H        LYS  53   2.303  10.289 -11.944
  415    HA   LYS  53           HA       LYS  53   0.761  12.631 -11.691
  416    HB2  LYS  53           1HB      LYS  53  -1.045  11.253 -12.787
  417    HB3  LYS  53           2HB      LYS  53   0.478  11.345 -13.657
  418    HG2  LYS  53           1HG      LYS  53   1.070   9.109 -12.742
  419    HG3  LYS  53           2HG      LYS  53  -0.544   9.024 -12.029
  420    HD2  LYS  53           1HD      LYS  53  -1.575   9.111 -14.188
  421    HD3  LYS  53           2HD      LYS  53  -0.031   9.449 -14.970
  422    HE2  LYS  53           1HE      LYS  53  -0.493   7.165 -15.369
  423    HE3  LYS  53           2HE      LYS  53   0.756   7.210 -14.127
  424    HZ1  LYS  53           3HZ      LYS  53  -0.814   6.672 -12.462
  425    HZ2  LYS  53           1HZ      LYS  53  -1.098   5.599 -13.743
  426    HZ3  LYS  53           2HZ      LYS  53  -2.130   6.919 -13.507
  427    H    GLN  54           H        GLN  54   0.518   9.490 -10.083
  428    HA   GLN  54           HA       GLN  54  -1.241  10.759  -8.107
  429    HB2  GLN  54           1HB      GLN  54  -1.597   7.995  -9.278
  430    HB3  GLN  54           2HB      GLN  54  -2.491   8.622  -7.898
  431    HG2  GLN  54           1HG      GLN  54  -3.430  10.381  -9.292
  432    HG3  GLN  54           2HG      GLN  54  -2.530   9.772 -10.679
  433   HE21  GLN  54          1HE2      GLN  54  -3.739   8.665 -12.014
  434   HE22  GLN  54          2HE2      GLN  54  -5.064   7.637 -11.589
  435    H    ALA  55           H        ALA  55  -0.567  10.493  -6.091
  436    HA   ALA  55           HA       ALA  55   1.137   8.287  -5.284
  437    HB1  ALA  55           3HB      ALA  55   3.115   9.285  -5.500
  438    HB2  ALA  55           1HB      ALA  55   2.302  10.538  -6.440
  439    HB3  ALA  55           2HB      ALA  55   2.529  10.745  -4.702
  440    H    LYS  56           H        LYS  56  -0.086  11.521  -4.522
  441    HA   LYS  56           HA       LYS  56   0.262  11.247  -1.710
  442    HB2  LYS  56           1HB      LYS  56  -1.575  13.142  -3.188
  443    HB3  LYS  56           2HB      LYS  56  -0.996  13.314  -1.535
  444    HG2  LYS  56           1HG      LYS  56   0.655  13.440  -4.045
  445    HG3  LYS  56           2HG      LYS  56   0.243  14.783  -2.976
  446    HD2  LYS  56           1HD      LYS  56   1.686  14.075  -1.317
  447    HD3  LYS  56           2HD      LYS  56   1.662  12.399  -1.869
  448    HE2  LYS  56           1HE      LYS  56   3.804  13.362  -2.380
  449    HE3  LYS  56           2HE      LYS  56   2.913  13.082  -3.877
  450    HZ1  LYS  56           3HZ      LYS  56   4.014  15.478  -2.943
  451    HZ2  LYS  56           1HZ      LYS  56   2.329  15.668  -2.970
  452    HZ3  LYS  56           2HZ      LYS  56   3.153  15.210  -4.379
  453    H    ASN  57           H        ASN  57  -2.291  10.579  -3.964
  454    HA   ASN  57           HA       ASN  57  -4.362  10.322  -2.048
  455    HB2  ASN  57           1HB      ASN  57  -4.428   8.816  -4.634
  456    HB3  ASN  57           2HB      ASN  57  -5.747   9.567  -3.762
  457   HD21  ASN  57          1HD2      ASN  57  -4.041   9.776  -6.474
  458   HD22  ASN  57          2HD2      ASN  57  -4.124  11.479  -6.788
  459    H    CYS  58           H        CYS  58  -5.178   8.623  -1.032
  460    HA   CYS  58           HA       CYS  58  -3.620   6.636   0.019
  461    HB2  CYS  58           1HB      CYS  58  -5.639   7.274   1.050
  462    HB3  CYS  58           2HB      CYS  58  -6.576   6.934  -0.392
  463    H    ILE  59           H        ILE  59  -2.938   4.711  -0.569
  464    HA   ILE  59           HA       ILE  59  -3.086   3.933  -3.265
  465    HB   ILE  59           HB       ILE  59  -1.707   2.029  -2.627
  466   HG12  ILE  59          1HG1      ILE  59  -2.269   2.903   0.221
  467   HG13  ILE  59          2HG1      ILE  59  -2.802   1.401  -0.524
  468   HG21  ILE  59          1HG2      ILE  59  -1.143   4.769  -2.172
  469   HG22  ILE  59          2HG2      ILE  59  -0.297   3.828  -0.941
  470   HG23  ILE  59          3HG2      ILE  59  -0.033   3.483  -2.651
  471   HD11  ILE  59          3HD1      ILE  59  -0.050   1.397  -0.872
  472   HD12  ILE  59          1HD1      ILE  59  -0.293   2.042   0.762
  473   HD13  ILE  59          2HD1      ILE  59  -0.973   0.469   0.313
  474    H    ILE  60           H        ILE  60  -4.823   2.807  -0.437
  475    HA   ILE  60           HA       ILE  60  -5.727   0.390  -1.593
  476    HB   ILE  60           HB       ILE  60  -6.547   1.918   0.855
  477   HG12  ILE  60          1HG1      ILE  60  -5.217  -0.751   0.359
  478   HG13  ILE  60          2HG1      ILE  60  -4.444   0.714   0.956
  479   HG21  ILE  60          1HG2      ILE  60  -7.732  -0.720   0.011
  480   HG22  ILE  60          2HG2      ILE  60  -8.081   0.188   1.484
  481   HG23  ILE  60          3HG2      ILE  60  -8.568   0.832  -0.085
  482   HD11  ILE  60          3HD1      ILE  60  -5.583  -1.363   2.444
  483   HD12  ILE  60          1HD1      ILE  60  -4.930   0.163   3.039
  484   HD13  ILE  60          2HD1      ILE  60  -6.644   0.030   2.649
  485    H    CYS  61           H        CYS  61  -7.334   3.581  -1.265
  486    HA   CYS  61           HA       CYS  61  -9.502   2.457  -2.895
  487    HB2  CYS  61           1HB      CYS  61 -10.920   4.304  -2.128
  488    HB3  CYS  61           2HB      CYS  61 -10.311   3.339  -0.785
  489    H    ASN  62           H        ASN  62  -6.784   4.259  -3.250
  490    HA   ASN  62           HA       ASN  62  -6.029   5.848  -4.709
  491    HB2  ASN  62           1HB      ASN  62  -6.507   5.272  -7.080
  492    HB3  ASN  62           2HB      ASN  62  -5.959   3.915  -6.112
  493   HD21  ASN  62          1HD2      ASN  62  -8.518   5.243  -7.995
  494   HD22  ASN  62          2HD2      ASN  62  -9.550   3.854  -7.955
  495    H    LEU  63           H        LEU  63  -8.066   7.032  -3.363
  496    HA   LEU  63           HA       LEU  63  -9.248   8.754  -5.414
  497    HB2  LEU  63           1HB      LEU  63 -10.625   6.658  -4.298
  498    HB3  LEU  63           2HB      LEU  63 -11.093   7.994  -3.265
  499    HG   LEU  63           HG       LEU  63 -12.741   7.764  -4.976
  500   HD11  LEU  63          1HD1      LEU  63 -11.430  10.025  -6.249
  501   HD12  LEU  63          2HD1      LEU  63 -12.942   9.948  -5.344
  502   HD13  LEU  63          3HD1      LEU  63 -11.409  10.105  -4.488
  503   HD21  LEU  63          3HD2      LEU  63 -10.369   7.595  -6.775
  504   HD22  LEU  63          1HD2      LEU  63 -11.787   6.552  -6.682
  505   HD23  LEU  63          2HD2      LEU  63 -11.916   8.155  -7.408
  506    H    ASN  64           H        ASN  64  -9.411   8.138  -1.930
  507    HA   ASN  64           HA       ASN  64  -9.376  10.966  -1.343
  508    HB2  ASN  64           1HB      ASN  64  -9.340   8.553   0.490
  509    HB3  ASN  64           2HB      ASN  64  -9.506  10.223   1.021
  510   HD21  ASN  64          1HD2      ASN  64 -11.169   7.485   0.390
  511   HD22  ASN  64          2HD2      ASN  64 -12.726   8.154   0.044
  512    H    VAL  65           H        VAL  65  -7.653  12.098  -0.553
  513    HA   VAL  65           HA       VAL  65  -5.048  11.231  -1.124
  514    HB   VAL  65           HB       VAL  65  -5.861  13.462   0.754
  515   HG11  VAL  65          1HG1      VAL  65  -3.417  13.725  -0.844
  516   HG12  VAL  65          2HG1      VAL  65  -3.713  14.109   0.852
  517   HG13  VAL  65          3HG1      VAL  65  -3.358  12.450   0.374
  518   HG21  VAL  65          3HG2      VAL  65  -5.506  14.896  -1.281
  519   HG22  VAL  65          1HG2      VAL  65  -5.480  13.409  -2.230
  520   HG23  VAL  65          2HG2      VAL  65  -6.929  13.854  -1.330
  521    H    GLY  66           H        GLY  66  -3.452  10.335   0.094
  522    HA2  GLY  66           2HA      GLY  66  -4.298   8.855   2.399
  523    HA3  GLY  66           1HA      GLY  66  -2.712   8.815   1.649
  524    H    VAL  67           H        VAL  67  -2.486   8.646   4.134
  525    HA   VAL  67           HA       VAL  67  -1.148  10.955   5.052
  526    HB   VAL  67           HB       VAL  67  -3.396  11.805   5.439
  527   HG11  VAL  67          1HG1      VAL  67  -4.029   9.764   7.491
  528   HG12  VAL  67          2HG1      VAL  67  -5.107  10.754   6.508
  529   HG13  VAL  67          3HG1      VAL  67  -4.293   9.359   5.796
  530   HG21  VAL  67          3HG2      VAL  67  -2.381  12.821   7.134
  531   HG22  VAL  67          1HG2      VAL  67  -3.077  11.585   8.181
  532   HG23  VAL  67          2HG2      VAL  67  -1.453  11.374   7.528
  533    H    ASN  68           H        ASN  68  -2.845   8.027   5.799
  534    HA   ASN  68           HA       ASN  68  -1.077   7.254   7.978
  535    HB2  ASN  68           1HB      ASN  68  -3.204   5.638   6.544
  536    HB3  ASN  68           2HB      ASN  68  -2.426   5.220   8.062
  537   HD21  ASN  68          1HD2      ASN  68  -2.603   8.135   8.881
  538   HD22  ASN  68          2HD2      ASN  68  -4.243   8.320   9.388
  539    H    ASP  69           H        ASP  69  -0.291   4.846   7.724
  540    HA   ASP  69           HA       ASP  69   0.941   4.523   5.041
  541    HB2  ASP  69           1HB      ASP  69   2.095   3.809   7.761
  542    HB3  ASP  69           2HB      ASP  69   2.811   3.340   6.226
  543    H    ALA  70           H        ALA  70   0.690   2.607   4.083
  544    HA   ALA  70           HA       ALA  70  -1.104   0.694   5.282
  545    HB1  ALA  70           3HB      ALA  70  -1.574   0.414   3.133
  546    HB2  ALA  70           1HB      ALA  70  -0.116   1.277   2.636
  547    HB3  ALA  70           2HB      ALA  70  -0.044  -0.453   2.985
  548    H    PHE  71           H        PHE  71  -0.633  -1.410   5.854
  549    HA   PHE  71           HA       PHE  71   2.213  -2.132   5.977
  550    HB2  PHE  71           1HB      PHE  71   0.113  -2.379   8.123
  551    HB3  PHE  71           2HB      PHE  71   1.518  -3.434   8.102
  552    HD1  PHE  71           HD2      PHE  71   0.752   0.224   7.885
  553    HD2  PHE  71           HD1      PHE  71   3.281  -2.839   9.403
  554    HE1  PHE  71           HE2      PHE  71   2.029   1.908   9.143
  555    HE2  PHE  71           HE1      PHE  71   4.558  -1.165  10.671
  556    HZ   PHE  71           HZ       PHE  71   3.936   1.214  10.540
  557    H    TYR  72           H        TYR  72   2.678  -4.109   5.235
  558    HA   TYR  72           HA       TYR  72   0.620  -5.831   4.160
  559    HB2  TYR  72           1HB      TYR  72   3.525  -6.499   4.714
  560    HB3  TYR  72           2HB      TYR  72   2.415  -7.413   3.704
  561    HD1  TYR  72           HD1      TYR  72   1.461  -6.151   1.629
  562    HD2  TYR  72           HD2      TYR  72   4.943  -4.958   3.757
  563    HE1  TYR  72           HE1      TYR  72   2.222  -4.893  -0.339
  564    HE2  TYR  72           HE2      TYR  72   5.711  -3.685   1.802
  565    HH   TYR  72           HH       TYR  72   4.665  -4.101  -1.203
  566    H    CYS  73           H        CYS  73  -0.569  -7.123   5.404
  567    HA   CYS  73           HA       CYS  73  -0.076  -7.304   8.168
  568    HB2  CYS  73           1HB      CYS  73  -2.089  -8.476   8.344
  569    HB3  CYS  73           2HB      CYS  73  -2.331  -7.453   6.934
  570    H    TRP  74           H        TRP  74   0.056  -9.298   9.383
  571    HA   TRP  74           HA       TRP  74   2.345 -10.713   9.125
  572    HB2  TRP  74           1HB      TRP  74   1.041 -10.746  11.116
  573    HB3  TRP  74           2HB      TRP  74  -0.302 -11.510  10.300
  574    HD1  TRP  74           HD1      TRP  74  -0.503 -13.628  11.636
  575    HE1  TRP  74           HE1      TRP  74   0.996 -15.677  12.118
  576    HE3  TRP  74           HE3      TRP  74   3.826 -11.896   9.614
  577    HZ2  TRP  74           HZ2      TRP  74   3.689 -16.429  11.676
  578    HZ3  TRP  74           HZ3      TRP  74   5.829 -13.327   9.678
  579    HH2  TRP  74           HH2      TRP  74   5.756 -15.552  10.682
  580    H    GLU  75           H        GLU  75  -0.820 -11.926   8.171
  581    HA   GLU  75           HA       GLU  75   0.097 -14.358   7.230
  582    HB2  GLU  75           1HB      GLU  75  -2.398 -12.871   6.389
  583    HB3  GLU  75           2HB      GLU  75  -2.099 -14.584   6.121
  584    HG2  GLU  75           1HG      GLU  75  -2.254 -13.263   8.822
  585    HG3  GLU  75           2HG      GLU  75  -3.572 -14.135   8.043
  586    H    CYS  76           H        CYS  76  -0.591 -11.407   5.355
  587    HA   CYS  76           HA       CYS  76   0.107 -12.543   2.851
  588    HB2  CYS  76           1HB      CYS  76   0.049  -9.657   3.737
  589    HB3  CYS  76           2HB      CYS  76   0.338 -10.171   2.080
  590    H    CYS  77           H        CYS  77   1.933 -10.750   5.288
  591    HA   CYS  77           HA       CYS  77   4.267 -10.457   3.709
  592    HB2  CYS  77           1HB      CYS  77   3.702  -9.116   5.760
  593    HB3  CYS  77           2HB      CYS  77   4.113 -10.522   6.732
  594    HG   CYS  77           HG       CYS  77   6.480  -9.446   4.575
  595    H    ARG  78           H        ARG  78   3.242 -12.916   6.041
  596    HA   ARG  78           HA       ARG  78   5.643 -14.397   6.092
  597    HB2  ARG  78           1HB      ARG  78   3.942 -14.745   7.777
  598    HB3  ARG  78           2HB      ARG  78   2.777 -15.244   6.560
  599    HG2  ARG  78           1HG      ARG  78   3.645 -17.149   7.787
  600    HG3  ARG  78           2HG      ARG  78   4.099 -17.230   6.085
  601    HD2  ARG  78           1HD      ARG  78   6.310 -16.252   6.708
  602    HD3  ARG  78           2HD      ARG  78   5.841 -16.398   8.402
  603    HE   ARG  78           HE       ARG  78   5.500 -18.894   7.193
  604   HH11  ARG  78          2HH1      ARG  78   8.074 -16.726   8.159
  605   HH12  ARG  78          1HH1      ARG  78   9.272 -17.987   8.247
  606   HH21  ARG  78          2HH2      ARG  78   7.054 -20.542   7.315
  607   HH22  ARG  78          1HH2      ARG  78   8.689 -20.166   7.768
  608    H    LEU  79           H        LEU  79   2.755 -14.620   4.068
  609    HA   LEU  79           HA       LEU  79   3.685 -16.833   2.515
  610    HB2  LEU  79           1HB      LEU  79   1.536 -14.773   2.027
  611    HB3  LEU  79           2HB      LEU  79   1.852 -16.114   0.946
  612    HG   LEU  79           HG       LEU  79   1.004 -16.386   3.830
  613   HD11  LEU  79          1HD1      LEU  79  -0.576 -15.505   1.850
  614   HD12  LEU  79          2HD1      LEU  79  -0.742 -17.246   1.614
  615   HD13  LEU  79          3HD1      LEU  79  -1.149 -16.523   3.170
  616   HD21  LEU  79          3HD2      LEU  79   1.489 -18.387   1.636
  617   HD22  LEU  79          1HD2      LEU  79   2.265 -18.298   3.217
  618   HD23  LEU  79          2HD2      LEU  79   0.565 -18.752   3.091
  619    H    GLY  80           H        GLY  80   4.074 -13.403   2.398
  620    HA2  GLY  80           2HA      GLY  80   5.490 -12.114   1.081
  621    HA3  GLY  80           1HA      GLY  80   5.942 -13.563   0.189
  622    H    LYS  81           H        LYS  81   2.753 -12.174   0.838
  623    HA   LYS  81           HA       LYS  81   2.129 -12.377  -2.000
  624    HB2  LYS  81           1HB      LYS  81   0.406 -11.803   0.411
  625    HB3  LYS  81           2HB      LYS  81  -0.190 -11.811  -1.241
  626    HG2  LYS  81           1HG      LYS  81   0.488 -14.173  -1.436
  627    HG3  LYS  81           2HG      LYS  81   0.968 -14.141   0.262
  628    HD2  LYS  81           1HD      LYS  81  -1.263 -15.089   0.025
  629    HD3  LYS  81           2HD      LYS  81  -1.329 -13.553   0.893
  630    HE2  LYS  81           1HE      LYS  81  -3.136 -13.681  -0.717
  631    HE3  LYS  81           2HE      LYS  81  -1.992 -12.425  -1.186
  632    HZ1  LYS  81           3HZ      LYS  81  -2.655 -14.918  -2.512
  633    HZ2  LYS  81           1HZ      LYS  81  -1.009 -14.514  -2.513
  634    HZ3  LYS  81           2HZ      LYS  81  -2.146 -13.442  -3.170
  635    H    ASP  82           H        ASP  82   3.932 -10.291  -1.040
  636    HA   ASP  82           HA       ASP  82   2.524  -7.806  -1.014
  637    HB2  ASP  82           1HB      ASP  82   4.681  -6.753  -1.211
  638    HB3  ASP  82           2HB      ASP  82   4.830  -8.110  -0.102
  639    H    LYS  83           H        LYS  83   2.800 -10.034  -3.329
  640    HA   LYS  83           HA       LYS  83   2.464 -10.160  -5.538
  641    HB2  LYS  83           1HB      LYS  83   1.309  -7.408  -5.114
  642    HB3  LYS  83           2HB      LYS  83   1.070  -8.401  -6.539
  643    HG2  LYS  83           1HG      LYS  83   0.008 -10.123  -5.104
  644    HG3  LYS  83           2HG      LYS  83   0.132  -9.001  -3.749
  645    HD2  LYS  83           1HD      LYS  83  -1.221  -7.372  -4.978
  646    HD3  LYS  83           2HD      LYS  83  -1.354  -8.505  -6.324
  647    HE2  LYS  83           1HE      LYS  83  -2.434 -10.123  -4.771
  648    HE3  LYS  83           2HE      LYS  83  -2.420  -8.868  -3.531
  649    HZ1  LYS  83           3HZ      LYS  83  -4.433  -9.278  -5.250
  650    HZ2  LYS  83           1HZ      LYS  83  -3.570  -8.062  -6.059
  651    HZ3  LYS  83           2HZ      LYS  83  -4.130  -7.799  -4.477
  652    H    ASP  84           H        ASP  84   4.966  -9.122  -4.589
  653    HA   ASP  84           HA       ASP  84   6.941  -8.778  -5.639
  654    HB2  ASP  84           1HB      ASP  84   6.080  -9.608  -7.731
  655    HB3  ASP  84           2HB      ASP  84   5.269  -8.079  -8.055
  656    H    GLY  85           H        GLY  85   4.488  -6.226  -5.957
  657    HA2  GLY  85           2HA      GLY  85   6.417  -4.377  -4.905
  658    HA3  GLY  85           1HA      GLY  85   6.091  -4.118  -6.604
  659    H    CYS  86           H        CYS  86   5.070  -2.362  -6.712
  660    HA   CYS  86           HA       CYS  86   3.774  -0.934  -4.831
  661    HB2  CYS  86           1HB      CYS  86   4.608  -0.277  -7.121
  662    HB3  CYS  86           2HB      CYS  86   3.091  -0.864  -7.769
  663    HA   PRO  87           HA       PRO  87  -0.160  -3.149  -4.652
  664    HB2  PRO  87           1HB      PRO  87  -0.512  -3.014  -2.031
  665    HB3  PRO  87           2HB      PRO  87   0.734  -4.071  -2.714
  666    HG2  PRO  87           1HG      PRO  87   1.016  -1.416  -1.391
  667    HG3  PRO  87           2HG      PRO  87   2.083  -2.825  -1.318
  668    HD2  PRO  87           1HD      PRO  87   2.399  -0.563  -2.969
  669    HD3  PRO  87           2HD      PRO  87   3.281  -2.097  -3.100
  670    H    ARG  88           H        ARG  88  -0.108  -0.483  -5.582
  671    HA   ARG  88           HA       ARG  88  -2.347   0.641  -4.046
  672    HB2  ARG  88           1HB      ARG  88  -1.618   2.752  -4.342
  673    HB3  ARG  88           2HB      ARG  88  -0.060   1.983  -4.594
  674    HG2  ARG  88           1HG      ARG  88  -0.351   2.082  -6.979
  675    HG3  ARG  88           2HG      ARG  88  -1.976   2.743  -6.784
  676    HD2  ARG  88           1HD      ARG  88   0.572   4.052  -5.854
  677    HD3  ARG  88           2HD      ARG  88  -0.309   4.474  -7.315
  678    HE   ARG  88           HE       ARG  88  -0.904   5.308  -4.651
  679   HH11  ARG  88          2HH1      ARG  88  -2.373   4.544  -7.729
  680   HH12  ARG  88          1HH1      ARG  88  -3.750   5.564  -7.488
  681   HH21  ARG  88          2HH2      ARG  88  -2.727   6.665  -4.311
  682   HH22  ARG  88          1HH2      ARG  88  -3.944   6.783  -5.554
  683    H    ILE  89           H        ILE  89  -4.231   0.961  -5.043
  684    HA   ILE  89           HA       ILE  89  -4.653  -0.521  -7.439
  685    HB   ILE  89           HB       ILE  89  -6.616   1.214  -5.932
  686   HG12  ILE  89          1HG1      ILE  89  -5.618  -0.480  -4.466
  687   HG13  ILE  89          2HG1      ILE  89  -7.298  -0.876  -4.813
  688   HG21  ILE  89          1HG2      ILE  89  -6.849  -0.649  -8.216
  689   HG22  ILE  89          2HG2      ILE  89  -8.101  -0.753  -6.979
  690   HG23  ILE  89          3HG2      ILE  89  -7.808   0.774  -7.810
  691   HD11  ILE  89          3HD1      ILE  89  -6.722  -2.850  -5.637
  692   HD12  ILE  89          1HD1      ILE  89  -5.547  -2.118  -6.730
  693   HD13  ILE  89          2HD1      ILE  89  -5.079  -2.533  -5.080
  694    H    LEU  90           H        LEU  90  -5.180   0.135  -9.432
  695    HA   LEU  90           HA       LEU  90  -5.941   2.697 -10.227
  696    HB2  LEU  90           1HB      LEU  90  -3.846   3.210 -11.628
  697    HB3  LEU  90           2HB      LEU  90  -3.823   3.614  -9.926
  698    HG   LEU  90           HG       LEU  90  -2.634   1.281  -9.689
  699   HD11  LEU  90          1HD1      LEU  90  -2.067   0.236 -11.554
  700   HD12  LEU  90          2HD1      LEU  90  -2.880   1.484 -12.500
  701   HD13  LEU  90          3HD1      LEU  90  -1.174   1.660 -12.090
  702   HD21  LEU  90          3HD2      LEU  90  -1.615   3.962 -10.399
  703   HD22  LEU  90          1HD2      LEU  90  -1.315   2.969  -8.972
  704   HD23  LEU  90          2HD2      LEU  90  -0.464   2.626 -10.479
  705    H    ASN  91           H        ASN  91  -4.318  -0.271 -11.007
  706    HA   ASN  91           HA       ASN  91  -4.638  -1.858 -12.552
  707    HB2  ASN  91           1HB      ASN  91  -7.450  -1.018 -13.003
  708    HB3  ASN  91           2HB      ASN  91  -6.787  -2.601 -12.633
  709   HD21  ASN  91          1HD2      ASN  91  -8.972  -0.857 -11.472
  710   HD22  ASN  91          2HD2      ASN  91  -8.676  -0.886  -9.767
  711    H    LEU  92           H        LEU  92  -6.681  -1.708 -14.728
  712    HA   LEU  92           HA       LEU  92  -5.829   0.344 -16.526
  713    HB2  LEU  92           1HB      LEU  92  -3.779  -1.073 -16.213
  714    HB3  LEU  92           2HB      LEU  92  -4.667  -2.409 -16.915
  715    HG   LEU  92           HG       LEU  92  -5.000  -0.819 -18.936
  716   HD11  LEU  92          1HD1      LEU  92  -2.807   0.591 -19.090
  717   HD12  LEU  92          2HD1      LEU  92  -4.228   1.240 -18.271
  718   HD13  LEU  92          3HD1      LEU  92  -2.901   0.558 -17.328
  719   HD21  LEU  92          3HD2      LEU  92  -3.767  -2.769 -19.265
  720   HD22  LEU  92          1HD2      LEU  92  -2.659  -1.482 -19.739
  721   HD23  LEU  92          2HD2      LEU  92  -2.487  -2.257 -18.165
  722    H    GLY  93           H        GLY  93  -7.169   0.445 -18.218
  723    HA2  GLY  93           2HA      GLY  93  -9.077  -1.736 -18.653
  724    HA3  GLY  93           1HA      GLY  93  -9.183  -0.115 -19.331
  725    H    SER  94           H        SER  94  -6.661   0.181 -20.391
  726    HA   SER  94           HA       SER  94  -5.982  -2.067 -22.064
  727    HB2  SER  94           1HB      SER  94  -7.160   0.444 -23.290
  728    HB3  SER  94           2HB      SER  94  -6.360  -0.842 -24.194
  729    HG   SER  94           HG       SER  94  -8.277  -1.842 -22.569
  730    H    ASN  95           H        ASN  95  -4.206  -1.355 -23.650
  731    HA   ASN  95           HA       ASN  95  -2.177  -0.443 -24.070
  732    HB2  ASN  95           1HB      ASN  95  -3.142   1.834 -22.328
  733    HB3  ASN  95           2HB      ASN  95  -1.608   1.832 -23.190
  734   HD21  ASN  95          1HD2      ASN  95  -1.578   2.601 -25.178
  735   HD22  ASN  95          2HD2      ASN  95  -2.965   2.893 -26.176
  736    H    ARG  96           H        ARG  96  -1.830  -2.425 -22.648
  737    HA   ARG  96           HA       ARG  96  -0.886  -2.073 -19.984
  738    HB2  ARG  96           1HB      ARG  96  -1.595  -4.255 -20.633
  739    HB3  ARG  96           2HB      ARG  96  -0.534  -4.262 -22.030
  740    HG2  ARG  96           1HG      ARG  96   0.307  -5.730 -20.300
  741    HG3  ARG  96           2HG      ARG  96   1.412  -4.381 -20.558
  742    HD2  ARG  96           1HD      ARG  96   1.128  -4.883 -18.179
  743    HD3  ARG  96           2HD      ARG  96   0.555  -3.267 -18.582
  744    HE   ARG  96           HE       ARG  96  -1.642  -4.970 -18.725
  745   HH11  ARG  96          2HH1      ARG  96   0.656  -3.956 -16.276
  746   HH12  ARG  96          1HH1      ARG  96  -0.512  -3.957 -14.987
  747   HH21  ARG  96          2HH2      ARG  96  -3.182  -4.993 -17.022
  748   HH22  ARG  96          1HH2      ARG  96  -2.680  -4.589 -15.413
  749    H    LEU  97           H        LEU  97   1.088  -1.568 -19.230
  750    HA   LEU  97           HA       LEU  97   2.915  -0.183 -20.802
  751    HB2  LEU  97           1HB      LEU  97   4.502  -0.512 -18.854
  752    HB3  LEU  97           2HB      LEU  97   2.972   0.261 -18.503
  753    HG   LEU  97           HG       LEU  97   2.210  -2.128 -17.787
  754   HD11  LEU  97          1HD1      LEU  97   4.911  -2.664 -16.853
  755   HD12  LEU  97          2HD1      LEU  97   3.712  -3.755 -17.551
  756   HD13  LEU  97          3HD1      LEU  97   4.748  -2.790 -18.606
  757   HD21  LEU  97          3HD2      LEU  97   2.828  -1.657 -15.543
  758   HD22  LEU  97          1HD2      LEU  97   4.201  -0.677 -16.061
  759   HD23  LEU  97          2HD2      LEU  97   2.555  -0.111 -16.346
  760    H    ASP  98           H        ASP  98   4.834  -0.666 -21.776
  761    HA   ASP  98           HA       ASP  98   5.038  -3.330 -22.785
  762    HB2  ASP  98           1HB      ASP  98   5.593  -1.200 -24.053
  763    HB3  ASP  98           2HB      ASP  98   7.079  -1.124 -23.112
  764    H    ARG  99           H        ARG  99   5.968  -4.958 -21.829
  765    HA   ARG  99           HA       ARG  99   7.346  -6.266 -20.618
  766    HB2  ARG  99           1HB      ARG  99   9.188  -3.890 -20.860
  767    HB3  ARG  99           2HB      ARG  99   9.658  -5.401 -20.092
  768    HG2  ARG  99           1HG      ARG  99   9.307  -6.605 -22.155
  769    HG3  ARG  99           2HG      ARG  99   8.718  -5.141 -22.941
  770    HD2  ARG  99           1HD      ARG  99  11.024  -5.594 -23.561
  771    HD3  ARG  99           2HD      ARG  99  10.903  -4.096 -22.641
  772    HE   ARG  99           HE       ARG  99  11.469  -6.031 -20.777
  773   HH11  ARG  99          2HH1      ARG  99  12.976  -4.852 -23.715
  774   HH12  ARG  99          1HH1      ARG  99  14.597  -5.191 -23.168
  775   HH21  ARG  99          2HH2      ARG  99  13.603  -6.474 -20.058
  776   HH22  ARG  99          1HH2      ARG  99  14.945  -6.151 -21.112
  777    H    HIS 100           H        HIS 100   8.283  -3.169 -19.166
  778    HA   HIS 100           HA       HIS 100   6.622  -3.465 -16.872
  779    HB2  HIS 100           1HB      HIS 100   9.327  -4.616 -16.799
  780    HB3  HIS 100           2HB      HIS 100   9.017  -3.471 -15.501
  781    HD1  HIS 100           HD1      HIS 100   9.499  -6.221 -14.597
  782    HD2  HIS 100           HD2      HIS 100   5.705  -4.956 -15.752
  783    HE1  HIS 100           HE1      HIS 100   7.884  -7.771 -13.448
  784    HE2  HIS 100           HE2      HIS 100   5.606  -7.084 -14.275
  785    H    PHE 101           H        PHE 101   9.874  -2.256 -17.637
  786    HA   PHE 101           HA       PHE 101   9.084   0.466 -17.815
  787    HB2  PHE 101           1HB      PHE 101  10.598   1.083 -15.739
  788    HB3  PHE 101           2HB      PHE 101   8.895   0.707 -15.521
  789    HD1  PHE 101           HD2      PHE 101  11.996  -1.371 -15.845
  790    HD2  PHE 101           HD1      PHE 101   8.529  -0.409 -13.573
  791    HE1  PHE 101           HE2      PHE 101  12.580  -3.122 -14.218
  792    HE2  PHE 101           HE1      PHE 101   9.110  -2.152 -11.940
  793    HZ   PHE 101           HZ       PHE 101  11.137  -3.514 -12.263
  794    H    GLU 102           H        GLU 102  10.572  -1.410 -19.320
  795    HA   GLU 102           HA       GLU 102  13.375  -0.839 -19.076
  796    HB2  GLU 102           1HB      GLU 102  12.579  -2.973 -19.996
  797    HB3  GLU 102           2HB      GLU 102  11.817  -2.122 -21.329
  798    HG2  GLU 102           1HG      GLU 102  13.905  -3.148 -22.014
  799    HG3  GLU 102           2HG      GLU 102  13.991  -1.392 -22.133
  800    H    LYS 103           H        LYS 103  14.597   0.560 -20.231
  801    HA   LYS 103           HA       LYS 103  15.148   2.429 -21.393
  802    HB2  LYS 103           1HB      LYS 103  12.754   1.697 -23.093
  803    HB3  LYS 103           2HB      LYS 103  13.988   2.871 -23.528
  804    HG2  LYS 103           1HG      LYS 103  15.672   1.120 -23.564
  805    HG3  LYS 103           2HG      LYS 103  14.462  -0.067 -23.070
  806    HD2  LYS 103           1HD      LYS 103  13.237   0.264 -25.123
  807    HD3  LYS 103           2HD      LYS 103  14.328   1.568 -25.603
  808    HE2  LYS 103           1HE      LYS 103  15.099  -1.320 -25.198
  809    HE3  LYS 103           2HE      LYS 103  14.862  -0.526 -26.755
  810    HZ1  LYS 103           3HZ      LYS 103  16.635   1.111 -25.680
  811    HZ2  LYS 103           1HZ      LYS 103  17.082  -0.258 -26.576
  812    HZ3  LYS 103           2HZ      LYS 103  17.084  -0.317 -24.880
  813    H    LYS 104           H        LYS 104  13.811   2.831 -19.101
  814    HA   LYS 104           HA       LYS 104  12.636   5.407 -19.396
  815    HB2  LYS 104           1HB      LYS 104  10.734   4.063 -20.173
  816    HB3  LYS 104           2HB      LYS 104  10.797   3.106 -18.701
  817    HG2  LYS 104           1HG      LYS 104  10.231   5.088 -17.390
  818    HG3  LYS 104           2HG      LYS 104  10.159   6.043 -18.873
  819    HD2  LYS 104           1HD      LYS 104   8.443   3.631 -18.285
  820    HD3  LYS 104           2HD      LYS 104   7.931   5.308 -18.080
  821    HE2  LYS 104           1HE      LYS 104   8.256   5.719 -20.454
  822    HE3  LYS 104           2HE      LYS 104   8.829   4.067 -20.677
  823    HZ1  LYS 104           3HZ      LYS 104   6.114   4.806 -19.732
  824    HZ2  LYS 104           1HZ      LYS 104   6.673   3.239 -20.052
  825    HZ3  LYS 104           2HZ      LYS 104   6.499   4.349 -21.318
  826    H    LYS 105           H        LYS 105  13.023   2.510 -17.466
  827    HA   LYS 105           HA       LYS 105  13.588   2.132 -15.312
  828    HB2  LYS 105           1HB      LYS 105  14.259   5.080 -15.291
  829    HB3  LYS 105           2HB      LYS 105  14.531   4.001 -13.929
  830    HG2  LYS 105           1HG      LYS 105  15.766   3.708 -16.659
  831    HG3  LYS 105           2HG      LYS 105  16.564   4.379 -15.235
  832    HD2  LYS 105           1HD      LYS 105  15.437   1.586 -15.389
  833    HD3  LYS 105           2HD      LYS 105  17.125   1.991 -15.703
  834    HE2  LYS 105           1HE      LYS 105  15.693   2.607 -13.124
  835    HE3  LYS 105           2HE      LYS 105  16.659   1.157 -13.392
  836    HZ1  LYS 105           3HZ      LYS 105  17.862   3.795 -13.897
  837    HZ2  LYS 105           1HZ      LYS 105  18.602   2.344 -13.433
  838    HZ3  LYS 105           2HZ      LYS 105  17.720   3.243 -12.300
  839    H    LYS 106           H        LYS 106  13.074   4.127 -13.129
  840    HA   LYS 106           HA       LYS 106  10.137   3.914 -13.202
  841    HB2  LYS 106           1HB      LYS 106  11.939   3.812 -10.777
  842    HB3  LYS 106           2HB      LYS 106  10.188   3.646 -10.776
  843    HG2  LYS 106           1HG      LYS 106  10.611   1.658 -12.372
  844    HG3  LYS 106           2HG      LYS 106  12.261   1.733 -11.755
  845    HD2  LYS 106           1HD      LYS 106   9.775   1.433 -10.080
  846    HD3  LYS 106           2HD      LYS 106  10.881   0.130 -10.516
  847    HE2  LYS 106           1HE      LYS 106  11.640   2.583  -8.932
  848    HE3  LYS 106           2HE      LYS 106  11.248   1.016  -8.230
  849    HZ1  LYS 106           3HZ      LYS 106  13.629   1.840  -9.734
  850    HZ2  LYS 106           1HZ      LYS 106  13.126   0.225  -9.853
  851    HZ3  LYS 106           2HZ      LYS 106  13.507   0.884  -8.340
  852    H    VAL 107           H        VAL 107  11.029   6.091 -14.351
  853    HA   VAL 107           HA       VAL 107  10.607   8.212 -12.353
  854    HB   VAL 107           HB       VAL 107  12.215   8.539 -14.892
  855   HG11  VAL 107          1HG1      VAL 107  12.463  10.694 -14.339
  856   HG12  VAL 107          2HG1      VAL 107  11.042  10.428 -13.329
  857   HG13  VAL 107          3HG1      VAL 107  12.656  10.335 -12.622
  858   HG21  VAL 107          3HG2      VAL 107  13.947   8.774 -12.717
  859   HG22  VAL 107          1HG2      VAL 107  13.011   7.311 -12.410
  860   HG23  VAL 107          2HG2      VAL 107  13.910   7.484 -13.917
  Start of MODEL   13
    1    H1   GLY  -1           1H       GLY  -1 -17.304  -2.201  -3.942
    2    H2   GLY  -1           2H       GLY  -1 -17.544  -1.247  -2.562
    3    H3   GLY  -1           3H       GLY  -1 -18.841  -2.110  -3.230
    4    HA2  GLY  -1           1HA      GLY  -1 -18.299  -4.005  -2.222
    5    HA3  GLY  -1           2HA      GLY  -1 -16.589  -3.764  -2.558
    6    H    GLY   0           H        GLY   0 -15.484  -3.809  -0.719
    7    HA2  GLY   0           2HA      GLY   0 -14.812  -2.541   1.233
    8    HA3  GLY   0           1HA      GLY   0 -16.513  -2.238   1.553
    9    H    SER   1           H        SER   1 -15.560  -5.380   0.520
   10    HA   SER   1           HA       SER   1 -15.113  -6.462   3.141
   11    HB2  SER   1           1HB      SER   1 -17.626  -7.234   1.625
   12    HB3  SER   1           2HB      SER   1 -17.031  -8.023   3.086
   13    HG   SER   1           HG       SER   1 -17.184  -5.393   3.531
   14    H    SER   2           H        SER   2 -13.942  -8.339   2.986
   15    HA   SER   2           HA       SER   2 -13.784  -9.616   0.341
   16    HB2  SER   2           1HB      SER   2 -11.400  -8.842   2.039
   17    HB3  SER   2           2HB      SER   2 -11.343  -9.682   0.488
   18    HG   SER   2           HG       SER   2 -11.958  -7.001   1.059
   19    H    ARG   3           H        ARG   3 -14.116 -11.695   0.485
   20    HA   ARG   3           HA       ARG   3 -13.572 -13.080   3.027
   21    HB2  ARG   3           1HB      ARG   3 -15.463 -13.704   0.759
   22    HB3  ARG   3           2HB      ARG   3 -15.093 -14.855   2.036
   23    HG2  ARG   3           1HG      ARG   3 -16.191 -13.629   3.647
   24    HG3  ARG   3           2HG      ARG   3 -16.049 -12.121   2.743
   25    HD2  ARG   3           1HD      ARG   3 -17.683 -12.894   1.137
   26    HD3  ARG   3           2HD      ARG   3 -17.773 -14.459   1.945
   27    HE   ARG   3           HE       ARG   3 -18.443 -12.774   3.927
   28   HH11  ARG   3          2HH1      ARG   3 -19.534 -12.987   0.611
   29   HH12  ARG   3          1HH1      ARG   3 -21.155 -12.471   0.969
   30   HH21  ARG   3          2HH2      ARG   3 -20.563 -12.107   4.416
   31   HH22  ARG   3          1HH2      ARG   3 -21.750 -11.992   3.149
   32    H    HIS   4           H        HIS   4 -12.612 -12.685  -0.178
   33    HA   HIS   4           HA       HIS   4 -10.497 -14.626   0.165
   34    HB2  HIS   4           1HB      HIS   4 -12.632 -15.610  -1.129
   35    HB3  HIS   4           2HB      HIS   4 -11.875 -14.773  -2.480
   36    HD1  HIS   4           HD1      HIS   4 -11.927 -17.584  -3.040
   37    HD2  HIS   4           HD2      HIS   4  -8.988 -16.031  -0.531
   38    HE1  HIS   4           HE1      HIS   4 -10.063 -19.274  -3.043
   39    HE2  HIS   4           HE2      HIS   4  -8.266 -18.285  -1.577
   40    H    GLN   5           H        GLN   5 -10.243 -14.180  -2.980
   41    HA   GLN   5           HA       GLN   5  -8.755 -11.701  -2.707
   42    HB2  GLN   5           1HB      GLN   5  -7.854 -13.570  -4.078
   43    HB3  GLN   5           2HB      GLN   5  -9.214 -13.389  -5.176
   44    HG2  GLN   5           1HG      GLN   5  -8.478 -11.125  -5.718
   45    HG3  GLN   5           2HG      GLN   5  -7.123 -11.304  -4.605
   46   HE21  GLN   5          1HE2      GLN   5  -5.286 -11.754  -5.551
   47   HE22  GLN   5          2HE2      GLN   5  -5.088 -12.628  -7.032
   48    H    PHE   6           H        PHE   6  -9.762  -9.840  -2.841
   49    HA   PHE   6           HA       PHE   6 -12.420  -9.655  -3.931
   50    HB2  PHE   6           1HB      PHE   6 -11.656  -8.508  -1.842
   51    HB3  PHE   6           2HB      PHE   6 -10.644  -7.468  -2.829
   52    HD1  PHE   6           HD1      PHE   6 -14.203  -8.569  -2.648
   53    HD2  PHE   6           HD2      PHE   6 -11.458  -5.402  -3.372
   54    HE1  PHE   6           HE1      PHE   6 -16.082  -7.008  -2.926
   55    HE2  PHE   6           HE2      PHE   6 -13.335  -3.831  -3.638
   56    HZ   PHE   6           HZ       PHE   6 -15.649  -4.636  -3.420
   57    H    ASP   7           H        ASP   7 -10.235 -10.226  -5.770
   58    HA   ASP   7           HA       ASP   7  -9.190  -9.527  -7.667
   59    HB2  ASP   7           1HB      ASP   7 -10.829  -8.857  -9.426
   60    HB3  ASP   7           2HB      ASP   7 -11.227 -10.321  -8.548
   61    H    LEU   8           H        LEU   8  -8.320  -7.769  -6.000
   62    HA   LEU   8           HA       LEU   8  -8.907  -5.086  -6.435
   63    HB2  LEU   8           1HB      LEU   8  -6.273  -6.294  -5.645
   64    HB3  LEU   8           2HB      LEU   8  -6.821  -4.662  -5.318
   65    HG   LEU   8           HG       LEU   8  -6.973  -5.823  -3.305
   66   HD11  LEU   8          1HD1      LEU   8  -8.911  -4.413  -3.903
   67   HD12  LEU   8          2HD1      LEU   8  -9.759  -5.886  -4.363
   68   HD13  LEU   8          3HD1      LEU   8  -9.253  -5.647  -2.692
   69   HD21  LEU   8          3HD2      LEU   8  -7.045  -8.129  -4.559
   70   HD22  LEU   8          1HD2      LEU   8  -7.583  -7.951  -2.891
   71   HD23  LEU   8          2HD2      LEU   8  -8.765  -7.981  -4.196
   72    H    ILE   9           H        ILE   9  -6.660  -7.249  -7.815
   73    HA   ILE   9           HA       ILE   9  -5.268  -7.256  -9.585
   74    HB   ILE   9           HB       ILE   9  -7.442  -5.467 -10.630
   75   HG12  ILE   9          1HG1      ILE   9  -7.857  -7.349 -12.122
   76   HG13  ILE   9          2HG1      ILE   9  -6.406  -8.160 -11.553
   77   HG21  ILE   9          1HG2      ILE   9  -4.818  -6.073 -11.959
   78   HG22  ILE   9          2HG2      ILE   9  -6.275  -5.745 -12.896
   79   HG23  ILE   9          3HG2      ILE   9  -5.640  -4.522 -11.796
   80   HD11  ILE   9          3HD1      ILE   9  -7.961  -7.689  -9.270
   81   HD12  ILE   9          1HD1      ILE   9  -9.071  -8.260 -10.517
   82   HD13  ILE   9          2HD1      ILE   9  -7.661  -9.227 -10.082
   83    H    MET  10           H        MET  10  -3.756  -6.478  -8.176
   84    HA   MET  10           HA       MET  10  -3.332  -3.653  -7.928
   85    HB2  MET  10           1HB      MET  10  -1.139  -5.117  -6.831
   86    HB3  MET  10           2HB      MET  10  -2.393  -4.216  -5.995
   87    HG2  MET  10           1HG      MET  10  -3.831  -6.213  -6.054
   88    HG3  MET  10           2HG      MET  10  -2.520  -7.104  -6.823
   89    HE1  MET  10           3HE      MET  10  -2.602  -5.463  -2.557
   90    HE2  MET  10           1HE      MET  10  -1.797  -4.460  -3.761
   91    HE3  MET  10           2HE      MET  10  -3.497  -4.875  -3.958
   92    H    CYS  11           H        CYS  11  -1.656  -2.476  -8.542
   93    HA   CYS  11           HA       CYS  11  -0.597  -2.693 -11.050
   94    HB2  CYS  11           1HB      CYS  11  -0.662  -0.630  -9.827
   95    HB3  CYS  11           2HB      CYS  11   0.396  -1.268  -8.582
   96    H    LEU  12           H        LEU  12   1.094  -3.394  -8.018
   97    HA   LEU  12           HA       LEU  12   2.968  -4.566  -7.521
   98    HB2  LEU  12           1HB      LEU  12   1.614  -6.410  -9.475
   99    HB3  LEU  12           2HB      LEU  12   2.859  -6.889  -8.338
  100    HG   LEU  12           HG       LEU  12   0.111  -5.857  -7.645
  101   HD11  LEU  12          1HD1      LEU  12   0.818  -8.347  -8.450
  102   HD12  LEU  12          2HD1      LEU  12   1.027  -8.472  -6.703
  103   HD13  LEU  12          3HD1      LEU  12  -0.529  -7.982  -7.372
  104   HD21  LEU  12          3HD2      LEU  12   2.329  -6.767  -5.814
  105   HD22  LEU  12          1HD2      LEU  12   1.822  -5.094  -6.048
  106   HD23  LEU  12          2HD2      LEU  12   0.710  -6.258  -5.333
  107    H    LYS  13           H        LYS  13   3.670  -2.680  -9.469
  108    HA   LYS  13           HA       LYS  13   5.414  -4.011 -11.368
  109    HB2  LYS  13           1HB      LYS  13   5.221  -1.109 -10.549
  110    HB3  LYS  13           2HB      LYS  13   6.293  -1.721 -11.794
  111    HG2  LYS  13           1HG      LYS  13   4.237  -2.535 -12.996
  112    HG3  LYS  13           2HG      LYS  13   3.305  -1.573 -11.842
  113    HD2  LYS  13           1HD      LYS  13   4.891   0.339 -12.475
  114    HD3  LYS  13           2HD      LYS  13   5.287  -0.653 -13.880
  115    HE2  LYS  13           1HE      LYS  13   2.487   0.112 -13.116
  116    HE3  LYS  13           2HE      LYS  13   3.492   1.043 -14.209
  117    HZ1  LYS  13           3HZ      LYS  13   3.477  -0.637 -15.797
  118    HZ2  LYS  13           1HZ      LYS  13   1.885  -0.632 -15.214
  119    HZ3  LYS  13           2HZ      LYS  13   2.976  -1.821 -14.691
  120    H    GLN  14           H        GLN  14   7.631  -2.193 -11.012
  121    HA   GLN  14           HA       GLN  14   8.968  -3.411  -8.740
  122    HB2  GLN  14           1HB      GLN  14   9.841  -1.520 -10.928
  123    HB3  GLN  14           2HB      GLN  14  10.880  -2.008  -9.611
  124    HG2  GLN  14           1HG      GLN  14   9.595  -3.949 -11.502
  125    HG3  GLN  14           2HG      GLN  14  11.190  -3.249 -11.763
  126   HE21  GLN  14          1HE2      GLN  14  11.346  -3.392  -8.632
  127   HE22  GLN  14          2HE2      GLN  14  11.881  -5.019  -8.375
  128    HA   PRO  15           HA       PRO  15   7.546   0.258  -6.564
  129    HB2  PRO  15           1HB      PRO  15   7.948  -0.646  -4.062
  130    HB3  PRO  15           2HB      PRO  15   6.573  -1.153  -5.044
  131    HG2  PRO  15           1HG      PRO  15   9.079  -2.620  -4.402
  132    HG3  PRO  15           2HG      PRO  15   7.439  -3.241  -4.645
  133    HD2  PRO  15           1HD      PRO  15   9.489  -3.311  -6.526
  134    HD3  PRO  15           2HD      PRO  15   7.761  -3.503  -6.877
  135    H    GLY  16           H        GLY  16   8.582   2.036  -5.863
  136    HA2  GLY  16           2HA      GLY  16  11.492   1.867  -5.598
  137    HA3  GLY  16           1HA      GLY  16  10.561   3.332  -5.869
  138    H    VAL  17           H        VAL  17  11.197   4.565  -4.211
  139    HA   VAL  17           HA       VAL  17  11.209   3.488  -1.496
  140    HB   VAL  17           HB       VAL  17  13.052   4.986  -2.269
  141   HG11  VAL  17          1HG1      VAL  17  12.704   7.350  -2.523
  142   HG12  VAL  17          2HG1      VAL  17  11.645   6.491  -3.641
  143   HG13  VAL  17          3HG1      VAL  17  10.989   7.178  -2.156
  144   HG21  VAL  17          3HG2      VAL  17  12.350   4.695   0.143
  145   HG22  VAL  17          1HG2      VAL  17  13.279   6.149  -0.224
  146   HG23  VAL  17          2HG2      VAL  17  11.532   6.250  -0.002
  147    H    GLN  18           H        GLN  18   9.155   5.121  -3.638
  148    HA   GLN  18           HA       GLN  18   7.679   6.813  -1.994
  149    HB2  GLN  18           1HB      GLN  18   6.295   5.207  -4.110
  150    HB3  GLN  18           2HB      GLN  18   6.079   6.886  -3.668
  151    HG2  GLN  18           1HG      GLN  18   8.531   5.835  -5.031
  152    HG3  GLN  18           2HG      GLN  18   7.139   6.490  -5.873
  153   HE21  GLN  18          1HE2      GLN  18   7.346   8.480  -6.468
  154   HE22  GLN  18          2HE2      GLN  18   8.292   9.703  -5.688
  155    H    THR  19           H        THR  19   6.149   6.506  -0.492
  156    HA   THR  19           HA       THR  19   5.532   3.716   0.173
  157    HB   THR  19           HB       THR  19   5.300   6.116   1.984
  158    HG1  THR  19           HG1      THR  19   7.503   4.688   1.134
  159   HG21  THR  19          1HG2      THR  19   4.855   4.663   3.680
  160   HG22  THR  19          2HG2      THR  19   5.816   3.366   2.970
  161   HG23  THR  19          3HG2      THR  19   4.197   3.708   2.353
  162    H    GLY  20           H        GLY  20   3.519   2.990   0.014
  163    HA2  GLY  20           2HA      GLY  20   1.423   4.668  -0.949
  164    HA3  GLY  20           1HA      GLY  20   1.280   2.976  -0.491
  165    H    LEU  21           H        LEU  21   0.347   6.049   0.259
  166    HA   LEU  21           HA       LEU  21   0.067   5.647   3.117
  167    HB2  LEU  21           1HB      LEU  21  -0.827   7.885   1.302
  168    HB3  LEU  21           2HB      LEU  21  -1.082   7.861   3.035
  169    HG   LEU  21           HG       LEU  21   1.606   7.906   1.660
  170   HD11  LEU  21          1HD1      LEU  21   0.359  10.009   1.448
  171   HD12  LEU  21          2HD1      LEU  21   0.132  10.043   3.197
  172   HD13  LEU  21          3HD1      LEU  21   1.752  10.182   2.517
  173   HD21  LEU  21          3HD2      LEU  21   1.060   8.328   4.580
  174   HD22  LEU  21          1HD2      LEU  21   1.391   6.726   3.924
  175   HD23  LEU  21          2HD2      LEU  21   2.597   8.001   3.780
  176    H    LEU  22           H        LEU  22  -1.968   5.638   4.176
  177    HA   LEU  22           HA       LEU  22  -4.221   4.786   2.478
  178    HB2  LEU  22           1HB      LEU  22  -3.666   4.110   5.372
  179    HB3  LEU  22           2HB      LEU  22  -5.116   3.657   4.497
  180    HG   LEU  22           HG       LEU  22  -2.314   2.692   3.972
  181   HD11  LEU  22          1HD1      LEU  22  -3.308   1.651   5.903
  182   HD12  LEU  22          2HD1      LEU  22  -4.793   1.324   5.010
  183   HD13  LEU  22          3HD1      LEU  22  -3.297   0.499   4.570
  184   HD21  LEU  22          3HD2      LEU  22  -4.674   1.540   2.589
  185   HD22  LEU  22          1HD2      LEU  22  -4.040   3.075   1.997
  186   HD23  LEU  22          2HD2      LEU  22  -2.997   1.655   2.061
  187    H    CYS  23           H        CYS  23  -5.985   6.011   2.531
  188    HA   CYS  23           HA       CYS  23  -6.032   8.403   4.128
  189    HB2  CYS  23           1HB      CYS  23  -7.929   9.038   2.903
  190    HB3  CYS  23           2HB      CYS  23  -6.997   8.106   1.738
  191    H    GLU  24           H        GLU  24  -7.790   8.864   5.634
  192    HA   GLU  24           HA       GLU  24  -7.999   6.952   7.617
  193    HB2  GLU  24           1HB      GLU  24  -9.819   9.295   7.066
  194    HB3  GLU  24           2HB      GLU  24  -9.781   8.386   8.573
  195    HG2  GLU  24           1HG      GLU  24  -7.446   9.023   8.898
  196    HG3  GLU  24           2HG      GLU  24  -7.491   9.934   7.390
  197    H    LYS  25           H        LYS  25 -10.005   7.405   4.833
  198    HA   LYS  25           HA       LYS  25 -12.216   5.861   5.733
  199    HB2  LYS  25           1HB      LYS  25 -11.370   6.614   2.936
  200    HB3  LYS  25           2HB      LYS  25 -12.937   5.951   3.386
  201    HG2  LYS  25           1HG      LYS  25 -13.497   7.899   4.629
  202    HG3  LYS  25           2HG      LYS  25 -11.853   8.525   4.502
  203    HD2  LYS  25           1HD      LYS  25 -13.301   9.693   2.958
  204    HD3  LYS  25           2HD      LYS  25 -12.138   8.712   2.064
  205    HE2  LYS  25           1HE      LYS  25 -13.886   6.952   1.849
  206    HE3  LYS  25           2HE      LYS  25 -15.033   8.059   2.601
  207    HZ1  LYS  25           3HZ      LYS  25 -15.446   8.737   0.537
  208    HZ2  LYS  25           1HZ      LYS  25 -14.061   7.993  -0.097
  209    HZ3  LYS  25           2HZ      LYS  25 -13.954   9.537   0.596
  210    H    CYS  26           H        CYS  26  -9.149   5.031   4.260
  211    HA   CYS  26           HA       CYS  26 -10.054   2.223   4.213
  212    HB2  CYS  26           1HB      CYS  26  -7.676   3.145   2.612
  213    HB3  CYS  26           2HB      CYS  26  -8.604   1.665   2.441
  214    H    ASP  27           H        ASP  27  -9.073   3.838   6.392
  215    HA   ASP  27           HA       ASP  27  -6.306   3.405   6.762
  216    HB2  ASP  27           1HB      ASP  27  -7.661   5.225   7.840
  217    HB3  ASP  27           2HB      ASP  27  -8.333   4.008   8.918
  218    H    GLY  28           H        GLY  28  -5.212   1.854   7.709
  219    HA2  GLY  28           2HA      GLY  28  -4.679  -0.026   8.905
  220    HA3  GLY  28           1HA      GLY  28  -6.232   0.145   9.710
  221    H    LYS  29           H        LYS  29  -5.885  -0.242   6.250
  222    HA   LYS  29           HA       LYS  29  -6.953  -2.975   6.502
  223    HB2  LYS  29           1HB      LYS  29  -7.435  -1.030   4.240
  224    HB3  LYS  29           2HB      LYS  29  -8.155  -2.621   4.425
  225    HG2  LYS  29           1HG      LYS  29  -9.537  -1.925   6.170
  226    HG3  LYS  29           2HG      LYS  29  -8.580  -0.472   6.467
  227    HD2  LYS  29           1HD      LYS  29 -10.658   0.103   5.361
  228    HD3  LYS  29           2HD      LYS  29  -9.288   0.424   4.297
  229    HE2  LYS  29           1HE      LYS  29 -10.989  -0.595   2.994
  230    HE3  LYS  29           2HE      LYS  29  -9.715  -1.788   3.222
  231    HZ1  LYS  29           3HZ      LYS  29 -11.232  -3.156   4.028
  232    HZ2  LYS  29           1HZ      LYS  29 -12.438  -1.967   3.913
  233    HZ3  LYS  29           2HZ      LYS  29 -11.510  -2.090   5.324
  234    H    CYS  30           H        CYS  30  -5.579  -4.467   5.790
  235    HA   CYS  30           HA       CYS  30  -3.159  -3.889   4.460
  236    HB2  CYS  30           1HB      CYS  30  -3.361  -5.883   5.787
  237    HB3  CYS  30           2HB      CYS  30  -4.719  -6.451   4.824
  238    HA   PRO  31           HA       PRO  31  -4.934  -3.008   0.465
  239    HB2  PRO  31           1HB      PRO  31  -2.122  -3.476  -0.399
  240    HB3  PRO  31           2HB      PRO  31  -3.184  -2.100  -0.719
  241    HG2  PRO  31           1HG      PRO  31  -1.215  -1.909   1.060
  242    HG3  PRO  31           2HG      PRO  31  -2.789  -1.145   1.359
  243    HD2  PRO  31           1HD      PRO  31  -1.641  -3.645   2.518
  244    HD3  PRO  31           2HD      PRO  31  -2.667  -2.413   3.281
  245    H    ILE  32           H        ILE  32  -2.668  -5.674   0.909
  246    HA   ILE  32           HA       ILE  32  -3.107  -6.969  -1.520
  247    HB   ILE  32           HB       ILE  32  -2.330  -8.289   1.080
  248   HG12  ILE  32          1HG1      ILE  32  -0.941  -6.255   0.405
  249   HG13  ILE  32          2HG1      ILE  32  -0.064  -7.762   0.643
  250   HG21  ILE  32          1HG2      ILE  32  -1.981  -9.066  -1.806
  251   HG22  ILE  32          2HG2      ILE  32  -1.097  -9.828  -0.484
  252   HG23  ILE  32          3HG2      ILE  32  -2.856  -9.937  -0.546
  253   HD11  ILE  32          3HD1      ILE  32   0.689  -6.476  -1.315
  254   HD12  ILE  32          1HD1      ILE  32   0.111  -8.090  -1.725
  255   HD13  ILE  32          2HD1      ILE  32  -0.908  -6.685  -2.035
  256    H    CYS  33           H        CYS  33  -4.639  -7.566   1.647
  257    HA   CYS  33           HA       CYS  33  -6.458  -9.411   0.261
  258    HB2  CYS  33           1HB      CYS  33  -6.454 -10.796   2.236
  259    HB3  CYS  33           2HB      CYS  33  -4.792 -10.482   1.751
  260    H    ASP  34           H        ASP  34  -6.413  -6.526   1.965
  261    HA   ASP  34           HA       ASP  34  -7.964  -5.211   2.945
  262    HB2  ASP  34           1HB      ASP  34  -9.311  -5.536   0.966
  263    HB3  ASP  34           2HB      ASP  34  -9.911  -7.073   1.578
  264    H    SER  35           H        SER  35  -7.070  -6.031   4.906
  265    HA   SER  35           HA       SER  35  -9.082  -7.252   6.605
  266    HB2  SER  35           1HB      SER  35  -7.810  -9.180   5.727
  267    HB3  SER  35           2HB      SER  35  -6.309  -8.442   6.280
  268    HG   SER  35           HG       SER  35  -7.283 -10.080   7.694
  269    H    TYR  36           H        TYR  36  -8.851  -6.678   8.751
  270    HA   TYR  36           HA       TYR  36  -6.969  -4.482   9.222
  271    HB2  TYR  36           1HB      TYR  36  -9.370  -5.371  10.844
  272    HB3  TYR  36           2HB      TYR  36  -8.397  -3.941  11.158
  273    HD1  TYR  36           HD2      TYR  36 -10.372  -5.469   8.367
  274    HD2  TYR  36           HD1      TYR  36  -9.201  -1.914  10.392
  275    HE1  TYR  36           HE2      TYR  36 -11.851  -4.161   6.908
  276    HE2  TYR  36           HE1      TYR  36 -10.683  -0.596   8.937
  277    HH   TYR  36           HH       TYR  36 -12.946  -1.256   7.522
  278    H    VAL  37           H        VAL  37  -6.300  -7.388   9.278
  279    HA   VAL  37           HA       VAL  37  -5.801  -8.062  12.019
  280    HB   VAL  37           HB       VAL  37  -6.169  -9.730  10.156
  281   HG11  VAL  37          1HG1      VAL  37  -4.179  -8.376   8.870
  282   HG12  VAL  37          2HG1      VAL  37  -3.347  -9.818   9.448
  283   HG13  VAL  37          3HG1      VAL  37  -4.782  -9.975   8.433
  284   HG21  VAL  37          3HG2      VAL  37  -3.582 -10.455  11.401
  285   HG22  VAL  37          1HG2      VAL  37  -4.916 -10.038  12.478
  286   HG23  VAL  37          2HG2      VAL  37  -5.097 -11.355  11.319
  287    H    ARG  38           H        ARG  38  -3.584  -8.496  12.825
  288    HA   ARG  38           HA       ARG  38  -2.091  -6.277  13.084
  289    HB2  ARG  38           1HB      ARG  38  -1.864  -8.113  14.576
  290    HB3  ARG  38           2HB      ARG  38  -1.348  -9.187  13.284
  291    HG2  ARG  38           1HG      ARG  38   0.564  -8.681  14.516
  292    HG3  ARG  38           2HG      ARG  38   0.664  -7.727  13.038
  293    HD2  ARG  38           1HD      ARG  38  -0.231  -5.784  14.280
  294    HD3  ARG  38           2HD      ARG  38  -0.203  -6.751  15.754
  295    HE   ARG  38           HE       ARG  38   2.354  -6.769  14.579
  296   HH11  ARG  38          2HH1      ARG  38   0.177  -4.642  16.317
  297   HH12  ARG  38          1HH1      ARG  38   1.459  -3.646  16.940
  298   HH21  ARG  38          2HH2      ARG  38   4.027  -5.480  15.410
  299   HH22  ARG  38          1HH2      ARG  38   3.645  -4.131  16.442
  300    HA   PRO  39           HA       PRO  39   0.119  -6.046   9.182
  301    HB2  PRO  39           1HB      PRO  39   0.991  -3.541   9.486
  302    HB3  PRO  39           2HB      PRO  39  -0.714  -3.880   9.161
  303    HG2  PRO  39           1HG      PRO  39   0.622  -3.173  11.737
  304    HG3  PRO  39           2HG      PRO  39  -0.955  -2.662  11.110
  305    HD2  PRO  39           1HD      PRO  39  -0.544  -4.695  12.956
  306    HD3  PRO  39           2HD      PRO  39  -2.002  -4.488  11.968
  307    H    LYS  40           H        LYS  40   2.392  -5.795   8.559
  308    HA   LYS  40           HA       LYS  40   4.241  -6.052  10.842
  309    HB2  LYS  40           1HB      LYS  40   4.260  -7.710   8.315
  310    HB3  LYS  40           2HB      LYS  40   5.481  -7.772   9.578
  311    HG2  LYS  40           1HG      LYS  40   2.575  -8.457   9.945
  312    HG3  LYS  40           2HG      LYS  40   3.873  -9.622   9.693
  313    HD2  LYS  40           1HD      LYS  40   3.928  -7.655  11.963
  314    HD3  LYS  40           2HD      LYS  40   3.085  -9.198  12.089
  315    HE2  LYS  40           1HE      LYS  40   5.212  -9.582  13.011
  316    HE3  LYS  40           2HE      LYS  40   5.273 -10.285  11.397
  317    HZ1  LYS  40           3HZ      LYS  40   6.579  -8.525  10.612
  318    HZ2  LYS  40           1HZ      LYS  40   7.242  -8.910  12.122
  319    HZ3  LYS  40           2HZ      LYS  40   6.248  -7.543  11.959
  320    H    ARG  41           H        ARG  41   4.323  -5.736   7.273
  321    HA   ARG  41           HA       ARG  41   6.654  -3.978   7.640
  322    HB2  ARG  41           1HB      ARG  41   5.955  -5.753   5.299
  323    HB3  ARG  41           2HB      ARG  41   7.387  -4.740   5.420
  324    HG2  ARG  41           1HG      ARG  41   8.097  -6.044   7.394
  325    HG3  ARG  41           2HG      ARG  41   6.704  -7.102   7.159
  326    HD2  ARG  41           1HD      ARG  41   8.671  -8.103   6.181
  327    HD3  ARG  41           2HD      ARG  41   7.536  -7.650   4.910
  328    HE   ARG  41           HE       ARG  41   9.484  -5.615   5.424
  329   HH11  ARG  41          2HH1      ARG  41   8.903  -8.633   3.774
  330   HH12  ARG  41          1HH1      ARG  41  10.070  -8.334   2.524
  331   HH21  ARG  41          2HH2      ARG  41  11.073  -5.215   3.813
  332   HH22  ARG  41          1HH2      ARG  41  11.329  -6.396   2.554
  333    H    LYS  42           H        LYS  42   6.763  -2.034   6.682
  334    HA   LYS  42           HA       LYS  42   4.376  -0.792   5.770
  335    HB2  LYS  42           1HB      LYS  42   6.292   0.331   6.956
  336    HB3  LYS  42           2HB      LYS  42   7.211   0.207   5.464
  337    HG2  LYS  42           1HG      LYS  42   5.575   1.598   4.323
  338    HG3  LYS  42           2HG      LYS  42   4.619   1.698   5.802
  339    HD2  LYS  42           1HD      LYS  42   7.457   2.672   5.501
  340    HD3  LYS  42           2HD      LYS  42   6.022   3.697   5.434
  341    HE2  LYS  42           1HE      LYS  42   5.461   3.123   7.717
  342    HE3  LYS  42           2HE      LYS  42   6.807   1.988   7.793
  343    HZ1  LYS  42           3HZ      LYS  42   6.996   4.425   8.722
  344    HZ2  LYS  42           1HZ      LYS  42   7.409   4.769   7.113
  345    HZ3  LYS  42           2HZ      LYS  42   8.322   3.647   8.002
  346    H    VAL  43           H        VAL  43   3.655  -0.367   3.748
  347    HA   VAL  43           HA       VAL  43   4.725  -1.959   1.614
  348    HB   VAL  43           HB       VAL  43   2.837  -1.235   0.308
  349   HG11  VAL  43          1HG1      VAL  43   1.035  -2.053   1.639
  350   HG12  VAL  43          2HG1      VAL  43   2.495  -2.932   2.094
  351   HG13  VAL  43          3HG1      VAL  43   1.883  -1.643   3.131
  352   HG21  VAL  43          3HG2      VAL  43   3.058   1.166   1.476
  353   HG22  VAL  43          1HG2      VAL  43   1.609   0.626   0.628
  354   HG23  VAL  43          2HG2      VAL  43   1.694   0.514   2.387
  355    H    ARG  44           H        ARG  44   5.385  -1.241  -0.434
  356    HA   ARG  44           HA       ARG  44   6.106   1.598  -0.626
  357    HB2  ARG  44           1HB      ARG  44   7.796  -0.799  -1.194
  358    HB3  ARG  44           2HB      ARG  44   8.006   0.639  -2.182
  359    HG2  ARG  44           1HG      ARG  44   8.632   1.945  -0.309
  360    HG3  ARG  44           2HG      ARG  44   8.122   0.686   0.819
  361    HD2  ARG  44           1HD      ARG  44  10.299   0.252  -1.208
  362    HD3  ARG  44           2HD      ARG  44  10.620   0.899   0.401
  363    HE   ARG  44           HE       ARG  44   9.986  -1.824  -0.290
  364   HH11  ARG  44          2HH1      ARG  44  10.101   0.572   2.262
  365   HH12  ARG  44          1HH1      ARG  44   9.919  -0.598   3.539
  366   HH21  ARG  44          2HH2      ARG  44   9.770  -3.360   1.383
  367   HH22  ARG  44          1HH2      ARG  44   9.769  -2.838   3.039
  368    H    VAL  45           H        VAL  45   5.315   2.569  -2.345
  369    HA   VAL  45           HA       VAL  45   3.921   0.973  -4.341
  370    HB   VAL  45           HB       VAL  45   3.191   3.252  -3.051
  371   HG11  VAL  45          1HG1      VAL  45   3.950   4.211  -5.771
  372   HG12  VAL  45          2HG1      VAL  45   3.182   5.132  -4.477
  373   HG13  VAL  45          3HG1      VAL  45   4.846   4.577  -4.296
  374   HG21  VAL  45          3HG2      VAL  45   2.125   1.548  -4.916
  375   HG22  VAL  45          1HG2      VAL  45   1.279   2.762  -3.959
  376   HG23  VAL  45          2HG2      VAL  45   1.868   3.165  -5.573
  377    H    CYS  46           H        CYS  46   4.246   1.403  -6.602
  378    HA   CYS  46           HA       CYS  46   7.012   1.834  -7.260
  379    HB2  CYS  46           1HB      CYS  46   6.522   1.137  -9.418
  380    HB3  CYS  46           2HB      CYS  46   5.312   0.275  -8.483
  381    H    GLU  47           H        GLU  47   7.846   3.538  -8.493
  382    HA   GLU  47           HA       GLU  47   7.035   6.067  -7.679
  383    HB2  GLU  47           1HB      GLU  47   9.299   5.449  -8.511
  384    HB3  GLU  47           2HB      GLU  47   8.653   5.437 -10.147
  385    HG2  GLU  47           1HG      GLU  47   8.138   7.782 -10.013
  386    HG3  GLU  47           2HG      GLU  47   8.634   7.826  -8.322
  387    H    ASN  48           H        ASN  48   6.019   4.183 -10.396
  388    HA   ASN  48           HA       ASN  48   4.851   6.220 -11.956
  389    HB2  ASN  48           1HB      ASN  48   4.751   3.281 -11.827
  390    HB3  ASN  48           2HB      ASN  48   3.324   4.046 -12.518
  391   HD21  ASN  48          1HD2      ASN  48   6.213   2.747 -13.273
  392   HD22  ASN  48          2HD2      ASN  48   6.528   3.567 -14.767
  393    H    CYS  49           H        CYS  49   3.762   4.634  -9.043
  394    HA   CYS  49           HA       CYS  49   1.080   5.811  -9.372
  395    HB2  CYS  49           1HB      CYS  49   2.088   3.755  -7.380
  396    HB3  CYS  49           2HB      CYS  49   0.458   4.426  -7.408
  397    H    SER  50           H        SER  50   3.411   7.439  -8.718
  398    HA   SER  50           HA       SER  50   2.413   8.648  -6.282
  399    HB2  SER  50           1HB      SER  50   4.734   8.412  -5.225
  400    HB3  SER  50           2HB      SER  50   3.731   6.965  -5.280
  401    HG   SER  50           HG       SER  50   5.085   6.066  -6.620
  402    H    PHE  51           H        PHE  51   5.215   8.553  -8.472
  403    HA   PHE  51           HA       PHE  51   6.616  10.109  -9.273
  404    HB2  PHE  51           1HB      PHE  51   4.917  12.382  -9.659
  405    HB3  PHE  51           2HB      PHE  51   5.624  11.306 -10.850
  406    HD1  PHE  51           HD1      PHE  51   4.351   9.467 -11.780
  407    HD2  PHE  51           HD2      PHE  51   2.625  12.133  -8.946
  408    HE1  PHE  51           HE1      PHE  51   2.106   8.687 -12.416
  409    HE2  PHE  51           HE2      PHE  51   0.378  11.343  -9.565
  410    HZ   PHE  51           HZ       PHE  51   0.117   9.621 -11.307
  411    H    GLY  52           H        GLY  52   4.509  12.502  -7.728
  412    HA2  GLY  52           2HA      GLY  52   6.769  13.696  -6.381
  413    HA3  GLY  52           1HA      GLY  52   5.099  14.232  -6.297
  414    H    LYS  53           H        LYS  53   7.293  11.694  -5.208
  415    HA   LYS  53           HA       LYS  53   7.529  10.572  -3.263
  416    HB2  LYS  53           1HB      LYS  53   5.666  12.693  -2.212
  417    HB3  LYS  53           2HB      LYS  53   6.408  11.463  -1.199
  418    HG2  LYS  53           1HG      LYS  53   8.633  12.288  -1.941
  419    HG3  LYS  53           2HG      LYS  53   7.808  13.598  -2.788
  420    HD2  LYS  53           1HD      LYS  53   6.873  14.394  -0.693
  421    HD3  LYS  53           2HD      LYS  53   7.612  13.043   0.173
  422    HE2  LYS  53           1HE      LYS  53   9.074  15.228  -1.307
  423    HE3  LYS  53           2HE      LYS  53   8.918  15.086   0.444
  424    HZ1  LYS  53           3HZ      LYS  53  10.655  13.733   0.493
  425    HZ2  LYS  53           1HZ      LYS  53  10.889  13.997  -1.166
  426    HZ3  LYS  53           2HZ      LYS  53   9.956  12.683  -0.640
  427    H    GLN  54           H        GLN  54   4.099  11.473  -2.879
  428    HA   GLN  54           HA       GLN  54   3.212   8.875  -3.748
  429    HB2  GLN  54           1HB      GLN  54   2.031   8.310  -1.638
  430    HB3  GLN  54           2HB      GLN  54   3.777   8.200  -1.522
  431    HG2  GLN  54           1HG      GLN  54   2.380  10.683  -0.641
  432    HG3  GLN  54           2HG      GLN  54   2.400   9.258   0.398
  433   HE21  GLN  54          1HE2      GLN  54   3.771  12.074   0.147
  434   HE22  GLN  54          2HE2      GLN  54   5.389  11.728   0.660
  435    H    ALA  55           H        ALA  55   2.924  11.642  -4.393
  436    HA   ALA  55           HA       ALA  55   1.318  13.145  -5.033
  437    HB1  ALA  55           3HB      ALA  55   1.076  10.642  -6.140
  438    HB2  ALA  55           1HB      ALA  55  -0.586  11.047  -5.686
  439    HB3  ALA  55           2HB      ALA  55   0.326  12.125  -6.746
  440    H    LYS  56           H        LYS  56   1.083  12.441  -2.185
  441    HA   LYS  56           HA       LYS  56  -0.334  12.397  -0.423
  442    HB2  LYS  56           1HB      LYS  56  -1.649  14.581  -2.038
  443    HB3  LYS  56           2HB      LYS  56  -1.860  14.296  -0.323
  444    HG2  LYS  56           1HG      LYS  56  -0.356  16.032  -0.353
  445    HG3  LYS  56           2HG      LYS  56   0.690  14.625  -0.171
  446    HD2  LYS  56           1HD      LYS  56   1.590  16.199  -1.807
  447    HD3  LYS  56           2HD      LYS  56   1.172  14.662  -2.563
  448    HE2  LYS  56           1HE      LYS  56   0.493  16.604  -3.918
  449    HE3  LYS  56           2HE      LYS  56  -0.874  15.603  -3.434
  450    HZ1  LYS  56           3HZ      LYS  56  -0.381  17.658  -1.529
  451    HZ2  LYS  56           1HZ      LYS  56  -1.798  17.316  -2.397
  452    HZ3  LYS  56           2HZ      LYS  56  -0.602  18.315  -3.070
  453    H    ASN  57           H        ASN  57  -1.044  10.312  -2.079
  454    HA   ASN  57           HA       ASN  57  -3.909  10.308  -1.579
  455    HB2  ASN  57           1HB      ASN  57  -4.466   9.208  -3.688
  456    HB3  ASN  57           2HB      ASN  57  -3.878  10.836  -3.899
  457   HD21  ASN  57          1HD2      ASN  57  -1.166   8.953  -3.338
  458   HD22  ASN  57          2HD2      ASN  57  -0.775   8.612  -4.973
  459    H    CYS  58           H        CYS  58  -4.862   8.566  -1.074
  460    HA   CYS  58           HA       CYS  58  -3.413   6.492   0.194
  461    HB2  CYS  58           1HB      CYS  58  -5.417   7.210   1.169
  462    HB3  CYS  58           2HB      CYS  58  -6.273   7.186  -0.360
  463    H    ILE  59           H        ILE  59  -2.955   4.493  -0.500
  464    HA   ILE  59           HA       ILE  59  -3.018   3.989  -3.274
  465    HB   ILE  59           HB       ILE  59  -2.141   1.678  -2.576
  466   HG12  ILE  59          1HG1      ILE  59  -2.124   3.114   0.091
  467   HG13  ILE  59          2HG1      ILE  59  -2.957   1.614  -0.294
  468   HG21  ILE  59          1HG2      ILE  59  -0.265   3.617  -1.472
  469   HG22  ILE  59          2HG2      ILE  59  -0.121   2.574  -2.887
  470   HG23  ILE  59          3HG2      ILE  59  -0.974   4.114  -3.008
  471   HD11  ILE  59          3HD1      ILE  59  -0.151   1.370  -0.846
  472   HD12  ILE  59          1HD1      ILE  59  -0.415   1.934   0.811
  473   HD13  ILE  59          2HD1      ILE  59  -1.171   0.435   0.251
  474    H    ILE  60           H        ILE  60  -5.087   2.836  -0.670
  475    HA   ILE  60           HA       ILE  60  -6.150   0.648  -2.103
  476    HB   ILE  60           HB       ILE  60  -7.275   2.123   0.274
  477   HG12  ILE  60          1HG1      ILE  60  -5.801  -0.502  -0.034
  478   HG13  ILE  60          2HG1      ILE  60  -5.163   0.970   0.690
  479   HG21  ILE  60          1HG2      ILE  60  -8.186  -0.621  -0.331
  480   HG22  ILE  60          2HG2      ILE  60  -9.063   0.737   0.373
  481   HG23  ILE  60          3HG2      ILE  60  -8.818   0.655  -1.370
  482   HD11  ILE  60          3HD1      ILE  60  -6.294  -1.109   2.042
  483   HD12  ILE  60          1HD1      ILE  60  -6.102   0.530   2.663
  484   HD13  ILE  60          2HD1      ILE  60  -7.631   0.037   1.932
  485    H    CYS  61           H        CYS  61  -7.554   3.924  -1.554
  486    HA   CYS  61           HA       CYS  61  -9.530   3.270  -3.594
  487    HB2  CYS  61           1HB      CYS  61 -10.551   5.472  -3.055
  488    HB3  CYS  61           2HB      CYS  61 -10.514   4.356  -1.691
  489    H    ASN  62           H        ASN  62  -6.502   4.509  -3.284
  490    HA   ASN  62           HA       ASN  62  -5.058   5.658  -4.555
  491    HB2  ASN  62           1HB      ASN  62  -5.115   5.159  -6.991
  492    HB3  ASN  62           2HB      ASN  62  -5.194   3.735  -5.967
  493   HD21  ASN  62          1HD2      ASN  62  -6.695   5.547  -8.406
  494   HD22  ASN  62          2HD2      ASN  62  -8.098   4.564  -8.620
  495    H    LEU  63           H        LEU  63  -7.037   7.266  -3.606
  496    HA   LEU  63           HA       LEU  63  -6.985   9.395  -5.556
  497    HB2  LEU  63           1HB      LEU  63  -9.200   7.678  -5.359
  498    HB3  LEU  63           2HB      LEU  63  -9.678   9.169  -4.581
  499    HG   LEU  63           HG       LEU  63 -10.342   9.590  -6.733
  500   HD11  LEU  63          1HD1      LEU  63  -7.463  10.462  -6.604
  501   HD12  LEU  63          2HD1      LEU  63  -8.557  10.934  -7.906
  502   HD13  LEU  63          3HD1      LEU  63  -8.907  11.411  -6.244
  503   HD21  LEU  63          3HD2      LEU  63  -9.549   8.569  -8.643
  504   HD22  LEU  63          1HD2      LEU  63  -7.921   8.376  -7.988
  505   HD23  LEU  63          2HD2      LEU  63  -9.234   7.346  -7.407
  506    H    ASN  64           H        ASN  64  -8.762   8.486  -2.610
  507    HA   ASN  64           HA       ASN  64  -8.873  11.046  -1.503
  508    HB2  ASN  64           1HB      ASN  64  -8.980   8.321  -0.212
  509    HB3  ASN  64           2HB      ASN  64  -9.274   9.808   0.672
  510   HD21  ASN  64          1HD2      ASN  64 -10.409  10.566  -2.213
  511   HD22  ASN  64          2HD2      ASN  64 -12.040  10.013  -2.083
  512    H    VAL  65           H        VAL  65  -7.626  12.121   0.026
  513    HA   VAL  65           HA       VAL  65  -4.857  11.807  -0.239
  514    HB   VAL  65           HB       VAL  65  -6.257  13.266   2.009
  515   HG11  VAL  65          1HG1      VAL  65  -3.546  12.805   1.514
  516   HG12  VAL  65          2HG1      VAL  65  -3.844  14.464   0.994
  517   HG13  VAL  65          3HG1      VAL  65  -4.243  13.971   2.641
  518   HG21  VAL  65          3HG2      VAL  65  -5.842  13.952  -0.858
  519   HG22  VAL  65          1HG2      VAL  65  -7.207  14.304   0.202
  520   HG23  VAL  65          2HG2      VAL  65  -5.716  15.235   0.344
  521    H    GLY  66           H        GLY  66  -3.537  10.379   0.602
  522    HA2  GLY  66           2HA      GLY  66  -4.364   8.602   2.706
  523    HA3  GLY  66           1HA      GLY  66  -2.828   8.573   1.858
  524    H    VAL  67           H        VAL  67  -3.603   8.445   4.776
  525    HA   VAL  67           HA       VAL  67  -1.851  10.637   5.663
  526    HB   VAL  67           HB       VAL  67  -3.087  10.589   7.848
  527   HG11  VAL  67          1HG1      VAL  67  -5.090  11.819   6.926
  528   HG12  VAL  67          2HG1      VAL  67  -3.514  12.396   6.387
  529   HG13  VAL  67          3HG1      VAL  67  -4.497  11.396   5.318
  530   HG21  VAL  67          3HG2      VAL  67  -4.889   8.778   6.270
  531   HG22  VAL  67          1HG2      VAL  67  -4.213   8.532   7.879
  532   HG23  VAL  67          2HG2      VAL  67  -5.486   9.728   7.631
  533    H    ASN  68           H        ASN  68  -2.953   7.315   6.430
  534    HA   ASN  68           HA       ASN  68  -0.477   6.997   8.000
  535    HB2  ASN  68           1HB      ASN  68  -3.001   5.328   8.062
  536    HB3  ASN  68           2HB      ASN  68  -1.577   5.061   9.059
  537   HD21  ASN  68          1HD2      ASN  68  -4.555   6.055   9.314
  538   HD22  ASN  68          2HD2      ASN  68  -4.406   7.328  10.481
  539    H    ASP  69           H        ASP  69   1.081   5.719   7.282
  540    HA   ASP  69           HA       ASP  69   1.142   4.631   4.701
  541    HB2  ASP  69           1HB      ASP  69   2.817   3.737   7.069
  542    HB3  ASP  69           2HB      ASP  69   3.230   3.578   5.368
  543    H    ALA  70           H        ALA  70   0.704   2.686   3.846
  544    HA   ALA  70           HA       ALA  70  -0.908   0.847   5.370
  545    HB1  ALA  70           3HB      ALA  70  -0.273  -0.414   2.990
  546    HB2  ALA  70           1HB      ALA  70  -1.721   0.541   3.322
  547    HB3  ALA  70           2HB      ALA  70  -0.317   1.302   2.573
  548    H    PHE  71           H        PHE  71  -0.403  -1.248   5.915
  549    HA   PHE  71           HA       PHE  71   2.407  -2.044   5.606
  550    HB2  PHE  71           1HB      PHE  71   0.702  -2.107   8.082
  551    HB3  PHE  71           2HB      PHE  71   2.030  -3.239   7.880
  552    HD1  PHE  71           HD2      PHE  71   1.571   0.436   7.325
  553    HD2  PHE  71           HD1      PHE  71   3.860  -2.675   9.105
  554    HE1  PHE  71           HE2      PHE  71   3.126   2.107   8.235
  555    HE2  PHE  71           HE1      PHE  71   5.420  -1.009  10.022
  556    HZ   PHE  71           HZ       PHE  71   5.053   1.385   9.585
  557    H    TYR  72           H        TYR  72   2.712  -4.079   4.922
  558    HA   TYR  72           HA       TYR  72   0.547  -5.712   4.039
  559    HB2  TYR  72           1HB      TYR  72   3.430  -6.490   4.580
  560    HB3  TYR  72           2HB      TYR  72   2.257  -7.465   3.706
  561    HD1  TYR  72           HD2      TYR  72   1.456  -6.710   1.468
  562    HD2  TYR  72           HD1      TYR  72   4.643  -4.754   3.497
  563    HE1  TYR  72           HE2      TYR  72   2.158  -5.675  -0.648
  564    HE2  TYR  72           HE1      TYR  72   5.359  -3.716   1.383
  565    HH   TYR  72           HH       TYR  72   3.805  -4.521  -1.690
  566    H    CYS  73           H        CYS  73  -0.700  -7.015   5.249
  567    HA   CYS  73           HA       CYS  73  -0.352  -7.148   8.036
  568    HB2  CYS  73           1HB      CYS  73  -2.385  -8.272   8.126
  569    HB3  CYS  73           2HB      CYS  73  -2.523  -7.328   6.649
  570    H    TRP  74           H        TRP  74  -0.251  -9.099   9.330
  571    HA   TRP  74           HA       TRP  74   2.075 -10.476   9.132
  572    HB2  TRP  74           1HB      TRP  74   0.457 -10.335  11.054
  573    HB3  TRP  74           2HB      TRP  74  -0.432 -11.647  10.308
  574    HD1  TRP  74           HD1      TRP  74   0.065 -12.934  12.630
  575    HE1  TRP  74           HE1      TRP  74   2.056 -14.388  13.354
  576    HE3  TRP  74           HE3      TRP  74   3.495 -11.385   9.173
  577    HZ2  TRP  74           HZ2      TRP  74   4.722 -14.830  12.558
  578    HZ3  TRP  74           HZ3      TRP  74   5.746 -12.368   9.229
  579    HH2  TRP  74           HH2      TRP  74   6.346 -14.062  10.882
  580    H    GLU  75           H        GLU  75  -1.080 -11.732   8.092
  581    HA   GLU  75           HA       GLU  75  -0.093 -14.208   7.264
  582    HB2  GLU  75           1HB      GLU  75  -2.570 -12.801   6.256
  583    HB3  GLU  75           2HB      GLU  75  -2.240 -14.529   6.155
  584    HG2  GLU  75           1HG      GLU  75  -2.113 -14.546   8.661
  585    HG3  GLU  75           2HG      GLU  75  -2.709 -12.888   8.628
  586    H    CYS  76           H        CYS  76  -0.698 -11.277   5.331
  587    HA   CYS  76           HA       CYS  76   0.188 -12.367   2.868
  588    HB2  CYS  76           1HB      CYS  76  -0.004  -9.521   3.851
  589    HB3  CYS  76           2HB      CYS  76   0.486  -9.950   2.216
  590    H    CYS  77           H        CYS  77   1.818 -10.872   5.588
  591    HA   CYS  77           HA       CYS  77   4.339 -10.527   4.316
  592    HB2  CYS  77           1HB      CYS  77   3.617  -9.402   6.452
  593    HB3  CYS  77           2HB      CYS  77   3.813 -10.949   7.269
  594    HG   CYS  77           HG       CYS  77   6.517  -9.961   5.552
  595    H    ARG  78           H        ARG  78   2.851 -13.113   6.192
  596    HA   ARG  78           HA       ARG  78   5.051 -14.882   6.272
  597    HB2  ARG  78           1HB      ARG  78   2.992 -15.100   7.659
  598    HB3  ARG  78           2HB      ARG  78   2.095 -15.540   6.222
  599    HG2  ARG  78           1HG      ARG  78   4.482 -17.146   6.992
  600    HG3  ARG  78           2HG      ARG  78   2.966 -17.364   7.868
  601    HD2  ARG  78           1HD      ARG  78   1.847 -17.721   5.671
  602    HD3  ARG  78           2HD      ARG  78   3.436 -17.698   4.910
  603    HE   ARG  78           HE       ARG  78   3.368 -19.601   7.016
  604   HH11  ARG  78          2HH1      ARG  78   2.322 -19.092   3.718
  605   HH12  ARG  78          1HH1      ARG  78   2.219 -20.783   3.345
  606   HH21  ARG  78          2HH2      ARG  78   3.226 -21.815   6.553
  607   HH22  ARG  78          1HH2      ARG  78   2.691 -22.344   4.982
  608    H    LEU  79           H        LEU  79   2.390 -14.465   3.972
  609    HA   LEU  79           HA       LEU  79   3.188 -16.553   2.216
  610    HB2  LEU  79           1HB      LEU  79   1.475 -14.111   1.749
  611    HB3  LEU  79           2HB      LEU  79   1.692 -15.398   0.578
  612    HG   LEU  79           HG       LEU  79   0.426 -15.696   3.303
  613   HD11  LEU  79          1HD1      LEU  79  -0.908 -14.443   1.624
  614   HD12  LEU  79          2HD1      LEU  79  -0.824 -15.851   0.567
  615   HD13  LEU  79          3HD1      LEU  79  -1.645 -15.966   2.124
  616   HD21  LEU  79          3HD2      LEU  79   0.350 -17.929   3.007
  617   HD22  LEU  79          1HD2      LEU  79   0.142 -17.797   1.262
  618   HD23  LEU  79          2HD2      LEU  79   1.749 -17.638   1.973
  619    H    GLY  80           H        GLY  80   3.997 -13.180   2.519
  620    HA2  GLY  80           2HA      GLY  80   5.959 -12.172   1.729
  621    HA3  GLY  80           1HA      GLY  80   6.191 -13.527   0.632
  622    H    LYS  81           H        LYS  81   3.407 -11.369   1.119
  623    HA   LYS  81           HA       LYS  81   3.009 -11.098  -1.695
  624    HB2  LYS  81           1HB      LYS  81   1.782  -9.563   0.600
  625    HB3  LYS  81           2HB      LYS  81   1.226  -9.518  -1.066
  626    HG2  LYS  81           1HG      LYS  81   1.189 -11.882   0.793
  627    HG3  LYS  81           2HG      LYS  81  -0.197 -10.969   0.197
  628    HD2  LYS  81           1HD      LYS  81   1.668 -12.707  -1.404
  629    HD3  LYS  81           2HD      LYS  81  -0.027 -13.021  -1.027
  630    HE2  LYS  81           1HE      LYS  81  -0.738 -11.180  -2.387
  631    HE3  LYS  81           2HE      LYS  81   0.927 -10.647  -2.624
  632    HZ1  LYS  81           3HZ      LYS  81  -0.501 -12.305  -4.264
  633    HZ2  LYS  81           1HZ      LYS  81   0.550 -13.357  -3.444
  634    HZ3  LYS  81           2HZ      LYS  81   1.176 -12.039  -4.316
  635    H    ASP  82           H        ASP  82   4.997  -9.558   0.536
  636    HA   ASP  82           HA       ASP  82   5.067  -6.927  -0.476
  637    HB2  ASP  82           1HB      ASP  82   7.115  -6.671   0.770
  638    HB3  ASP  82           2HB      ASP  82   5.994  -7.633   1.728
  639    H    LYS  83           H        LYS  83   6.657  -9.890  -1.462
  640    HA   LYS  83           HA       LYS  83   8.603  -8.605  -3.089
  641    HB2  LYS  83           1HB      LYS  83   9.164 -10.818  -3.926
  642    HB3  LYS  83           2HB      LYS  83   8.990 -10.851  -2.181
  643    HG2  LYS  83           1HG      LYS  83   7.895 -12.769  -2.738
  644    HG3  LYS  83           2HG      LYS  83   6.550 -11.629  -2.756
  645    HD2  LYS  83           1HD      LYS  83   6.772 -11.407  -5.184
  646    HD3  LYS  83           2HD      LYS  83   8.116 -12.553  -5.168
  647    HE2  LYS  83           1HE      LYS  83   6.604 -14.268  -4.255
  648    HE3  LYS  83           2HE      LYS  83   5.271 -13.117  -4.332
  649    HZ1  LYS  83           3HZ      LYS  83   6.492 -13.203  -6.847
  650    HZ2  LYS  83           1HZ      LYS  83   4.933 -13.716  -6.417
  651    HZ3  LYS  83           2HZ      LYS  83   6.233 -14.802  -6.352
  652    H    ASP  84           H        ASP  84   5.305  -9.414  -3.540
  653    HA   ASP  84           HA       ASP  84   5.163  -9.707  -6.323
  654    HB2  ASP  84           1HB      ASP  84   3.162  -8.524  -4.385
  655    HB3  ASP  84           2HB      ASP  84   2.807  -8.866  -6.074
  656    H    GLY  85           H        GLY  85   4.698  -6.761  -4.359
  657    HA2  GLY  85           2HA      GLY  85   6.349  -5.042  -5.275
  658    HA3  GLY  85           1HA      GLY  85   5.413  -5.198  -6.748
  659    H    CYS  86           H        CYS  86   4.562  -3.310  -6.972
  660    HA   CYS  86           HA       CYS  86   3.800  -1.503  -4.990
  661    HB2  CYS  86           1HB      CYS  86   4.436  -0.902  -7.262
  662    HB3  CYS  86           2HB      CYS  86   3.029  -1.728  -7.904
  663    HA   PRO  87           HA       PRO  87  -0.147  -3.490  -4.069
  664    HB2  PRO  87           1HB      PRO  87  -0.596  -2.312  -1.711
  665    HB3  PRO  87           2HB      PRO  87   0.662  -3.538  -1.910
  666    HG2  PRO  87           1HG      PRO  87   0.919  -0.557  -1.837
  667    HG3  PRO  87           2HG      PRO  87   1.923  -1.781  -1.044
  668    HD2  PRO  87           1HD      PRO  87   2.599  -0.540  -3.391
  669    HD3  PRO  87           2HD      PRO  87   3.167  -2.157  -2.928
  670    H    ARG  88           H        ARG  88  -0.035  -1.018  -5.777
  671    HA   ARG  88           HA       ARG  88  -2.260   0.598  -4.885
  672    HB2  ARG  88           1HB      ARG  88  -0.305   0.667  -7.037
  673    HB3  ARG  88           2HB      ARG  88  -1.925   1.039  -7.609
  674    HG2  ARG  88           1HG      ARG  88  -1.390   2.452  -5.170
  675    HG3  ARG  88           2HG      ARG  88  -0.119   2.758  -6.356
  676    HD2  ARG  88           1HD      ARG  88  -2.045   3.125  -8.014
  677    HD3  ARG  88           2HD      ARG  88  -3.063   3.256  -6.581
  678    HE   ARG  88           HE       ARG  88  -0.968   4.973  -6.150
  679   HH11  ARG  88          2HH1      ARG  88  -3.475   4.591  -8.559
  680   HH12  ARG  88          1HH1      ARG  88  -3.511   6.281  -8.989
  681   HH21  ARG  88          2HH2      ARG  88  -1.004   7.198  -6.706
  682   HH22  ARG  88          1HH2      ARG  88  -2.121   7.773  -7.900
  683    H    ILE  89           H        ILE  89  -4.362   0.450  -5.549
  684    HA   ILE  89           HA       ILE  89  -5.152  -2.058  -6.821
  685    HB   ILE  89           HB       ILE  89  -6.931   0.092  -5.657
  686   HG12  ILE  89          1HG1      ILE  89  -5.405  -0.675  -3.916
  687   HG13  ILE  89          2HG1      ILE  89  -7.015  -1.321  -3.616
  688   HG21  ILE  89          1HG2      ILE  89  -8.361  -2.094  -5.326
  689   HG22  ILE  89          2HG2      ILE  89  -8.349  -1.241  -6.872
  690   HG23  ILE  89          3HG2      ILE  89  -7.360  -2.686  -6.654
  691   HD11  ILE  89          3HD1      ILE  89  -4.504  -2.708  -4.267
  692   HD12  ILE  89          1HD1      ILE  89  -5.862  -3.217  -3.261
  693   HD13  ILE  89          2HD1      ILE  89  -5.966  -3.355  -5.016
  694    H    LEU  90           H        LEU  90  -5.930  -2.183  -8.898
  695    HA   LEU  90           HA       LEU  90  -7.248   0.012 -10.151
  696    HB2  LEU  90           1HB      LEU  90  -5.648   0.293 -11.991
  697    HB3  LEU  90           2HB      LEU  90  -5.025   0.845 -10.456
  698    HG   LEU  90           HG       LEU  90  -4.329  -1.895 -11.458
  699   HD11  LEU  90          1HD1      LEU  90  -3.117  -1.104 -13.147
  700   HD12  LEU  90          2HD1      LEU  90  -3.716   0.522 -12.814
  701   HD13  LEU  90          3HD1      LEU  90  -2.243  -0.054 -12.034
  702   HD21  LEU  90          3HD2      LEU  90  -3.806  -1.283  -9.156
  703   HD22  LEU  90          1HD2      LEU  90  -2.354  -1.541 -10.123
  704   HD23  LEU  90          2HD2      LEU  90  -2.879   0.101  -9.743
  705    H    ASN  91           H        ASN  91  -8.368  -2.332  -9.825
  706    HA   ASN  91           HA       ASN  91  -8.014  -4.048 -12.122
  707    HB2  ASN  91           1HB      ASN  91 -10.179  -5.066 -11.388
  708    HB3  ASN  91           2HB      ASN  91  -8.925  -5.080 -10.157
  709   HD21  ASN  91          1HD2      ASN  91  -9.277  -4.128  -8.274
  710   HD22  ASN  91          2HD2      ASN  91 -10.727  -3.292  -7.843
  711    H    LEU  92           H        LEU  92  -9.814  -1.238 -11.239
  712    HA   LEU  92           HA       LEU  92 -10.334  -0.647 -13.981
  713    HB2  LEU  92           1HB      LEU  92 -12.264  -2.087 -13.598
  714    HB3  LEU  92           2HB      LEU  92 -12.692  -1.174 -12.164
  715    HG   LEU  92           HG       LEU  92 -13.102   0.816 -13.609
  716   HD11  LEU  92          1HD1      LEU  92 -13.399  -0.680 -16.066
  717   HD12  LEU  92          2HD1      LEU  92 -12.604   0.866 -15.773
  718   HD13  LEU  92          3HD1      LEU  92 -11.723  -0.641 -15.520
  719   HD21  LEU  92          3HD2      LEU  92 -14.681  -1.507 -13.278
  720   HD22  LEU  92          1HD2      LEU  92 -15.211   0.156 -13.518
  721   HD23  LEU  92          2HD2      LEU  92 -14.957  -0.898 -14.910
  722    H    GLY  93           H        GLY  93 -11.625   0.116 -10.755
  723    HA2  GLY  93           2HA      GLY  93 -11.736   2.066  -9.563
  724    HA3  GLY  93           1HA      GLY  93 -10.252   2.519 -10.388
  725    H    SER  94           H        SER  94 -13.032   1.810 -12.258
  726    HA   SER  94           HA       SER  94 -14.245   3.013 -13.738
  727    HB2  SER  94           1HB      SER  94 -15.103   3.829 -11.437
  728    HB3  SER  94           2HB      SER  94 -14.189   5.296 -11.772
  729    HG   SER  94           HG       SER  94 -15.608   4.698 -13.941
  730    H    ASN  95           H        ASN  95 -11.461   3.083 -14.151
  731    HA   ASN  95           HA       ASN  95 -11.249   5.482 -15.733
  732    HB2  ASN  95           1HB      ASN  95 -10.496   6.436 -13.674
  733    HB3  ASN  95           2HB      ASN  95  -9.445   5.060 -13.347
  734   HD21  ASN  95          1HD2      ASN  95  -7.402   5.513 -13.626
  735   HD22  ASN  95          2HD2      ASN  95  -6.735   6.568 -14.833
  736    H    ARG  96           H        ARG  96  -9.133   2.925 -14.340
  737    HA   ARG  96           HA       ARG  96  -7.500   2.921 -16.668
  738    HB2  ARG  96           1HB      ARG  96  -6.133   1.437 -15.564
  739    HB3  ARG  96           2HB      ARG  96  -6.966   2.164 -14.202
  740    HG2  ARG  96           1HG      ARG  96  -7.266   0.045 -13.565
  741    HG3  ARG  96           2HG      ARG  96  -8.597   0.073 -14.723
  742    HD2  ARG  96           1HD      ARG  96  -6.965  -0.735 -16.460
  743    HD3  ARG  96           2HD      ARG  96  -5.800  -0.965 -15.158
  744    HE   ARG  96           HE       ARG  96  -8.274  -2.278 -14.619
  745   HH11  ARG  96          2HH1      ARG  96  -5.230  -2.596 -16.347
  746   HH12  ARG  96          1HH1      ARG  96  -5.348  -4.329 -16.466
  747   HH21  ARG  96          2HH2      ARG  96  -8.412  -4.534 -14.768
  748   HH22  ARG  96          1HH2      ARG  96  -7.144  -5.436 -15.545
  749    H    LEU  97           H        LEU  97  -7.722   1.882 -18.520
  750    HA   LEU  97           HA       LEU  97  -8.712   0.748 -20.204
  751    HB2  LEU  97           1HB      LEU  97  -8.835  -1.348 -18.044
  752    HB3  LEU  97           2HB      LEU  97  -9.247  -1.664 -19.719
  753    HG   LEU  97           HG       LEU  97  -6.547  -0.830 -18.658
  754   HD11  LEU  97          1HD1      LEU  97  -7.643  -3.391 -19.787
  755   HD12  LEU  97          2HD1      LEU  97  -5.915  -3.055 -19.673
  756   HD13  LEU  97          3HD1      LEU  97  -6.898  -3.122 -18.210
  757   HD21  LEU  97          3HD2      LEU  97  -7.663  -0.355 -21.201
  758   HD22  LEU  97          1HD2      LEU  97  -5.987  -0.149 -20.692
  759   HD23  LEU  97          2HD2      LEU  97  -6.518  -1.684 -21.383
  760    H    ASP  98           H        ASP  98 -10.413   2.491 -18.813
  761    HA   ASP  98           HA       ASP  98 -12.977   1.210 -18.472
  762    HB2  ASP  98           1HB      ASP  98 -13.703   3.209 -17.635
  763    HB3  ASP  98           2HB      ASP  98 -11.979   3.501 -17.458
  764    H    ARG  99           H        ARG  99 -11.298   3.157 -20.843
  765    HA   ARG  99           HA       ARG  99 -12.136   1.977 -23.111
  766    HB2  ARG  99           1HB      ARG  99 -14.474   2.566 -22.569
  767    HB3  ARG  99           2HB      ARG  99 -14.026   4.269 -22.530
  768    HG2  ARG  99           1HG      ARG  99 -13.293   4.032 -24.914
  769    HG3  ARG  99           2HG      ARG  99 -14.017   2.424 -24.900
  770    HD2  ARG  99           1HD      ARG  99 -16.191   3.324 -24.518
  771    HD3  ARG  99           2HD      ARG  99 -15.533   4.935 -24.222
  772    HE   ARG  99           HE       ARG  99 -16.138   3.767 -26.751
  773   HH11  ARG  99          2HH1      ARG  99 -14.115   6.137 -25.132
  774   HH12  ARG  99          1HH1      ARG  99 -13.559   6.857 -26.617
  775   HH21  ARG  99          2HH2      ARG  99 -15.381   4.720 -28.705
  776   HH22  ARG  99          1HH2      ARG  99 -14.269   6.060 -28.630
  777    H    HIS 100           H        HIS 100 -11.632   5.087 -21.569
  778    HA   HIS 100           HA       HIS 100 -10.864   6.530 -23.841
  779    HB2  HIS 100           1HB      HIS 100  -9.980   6.985 -20.983
  780    HB3  HIS 100           2HB      HIS 100  -9.799   8.133 -22.298
  781    HD1  HIS 100           HD1      HIS 100 -12.487   6.511 -20.175
  782    HD2  HIS 100           HD2      HIS 100 -11.965   9.732 -22.764
  783    HE1  HIS 100           HE1      HIS 100 -14.592   7.878 -20.001
  784    HE2  HIS 100           HE2      HIS 100 -14.212   9.879 -21.487
  785    H    PHE 101           H        PHE 101  -9.019   6.838 -24.885
  786    HA   PHE 101           HA       PHE 101  -6.498   6.178 -23.699
  787    HB2  PHE 101           1HB      PHE 101  -5.690   4.755 -25.543
  788    HB3  PHE 101           2HB      PHE 101  -7.023   3.998 -24.687
  789    HD1  PHE 101           HD1      PHE 101  -6.071   5.742 -27.799
  790    HD2  PHE 101           HD2      PHE 101  -9.016   3.414 -25.795
  791    HE1  PHE 101           HE1      PHE 101  -7.235   5.384 -29.934
  792    HE2  PHE 101           HE2      PHE 101 -10.187   3.053 -27.929
  793    HZ   PHE 101           HZ       PHE 101  -9.297   4.038 -30.002
  794    H    GLU 102           H        GLU 102  -5.249   7.835 -24.136
  795    HA   GLU 102           HA       GLU 102  -5.801   9.423 -26.558
  796    HB2  GLU 102           1HB      GLU 102  -5.845  10.324 -23.681
  797    HB3  GLU 102           2HB      GLU 102  -5.730  11.449 -25.029
  798    HG2  GLU 102           1HG      GLU 102  -7.879  10.601 -25.876
  799    HG3  GLU 102           2HG      GLU 102  -7.988   9.540 -24.471
  800    H    LYS 103           H        LYS 103  -3.634   8.902 -23.805
  801    HA   LYS 103           HA       LYS 103  -1.679  10.732 -24.773
  802    HB2  LYS 103           1HB      LYS 103  -1.468   8.600 -22.644
  803    HB3  LYS 103           2HB      LYS 103  -0.267   9.849 -22.946
  804    HG2  LYS 103           1HG      LYS 103  -1.964  11.563 -22.437
  805    HG3  LYS 103           2HG      LYS 103  -3.109  10.279 -22.050
  806    HD2  LYS 103           1HD      LYS 103  -2.149  11.098 -20.007
  807    HD3  LYS 103           2HD      LYS 103  -1.534   9.473 -20.310
  808    HE2  LYS 103           1HE      LYS 103   0.538  10.408 -21.192
  809    HE3  LYS 103           2HE      LYS 103  -0.081  12.038 -20.939
  810    HZ1  LYS 103           3HZ      LYS 103   0.080  11.839 -18.657
  811    HZ2  LYS 103           1HZ      LYS 103   1.469  11.021 -19.188
  812    HZ3  LYS 103           2HZ      LYS 103   0.109  10.144 -18.688
  813    H    LYS 104           H        LYS 104  -1.097  10.169 -26.811
  814    HA   LYS 104           HA       LYS 104   0.283   9.324 -28.393
  815    HB2  LYS 104           1HB      LYS 104   1.413   7.648 -26.148
  816    HB3  LYS 104           2HB      LYS 104   2.118   7.811 -27.751
  817    HG2  LYS 104           1HG      LYS 104   2.451  10.197 -27.374
  818    HG3  LYS 104           2HG      LYS 104   1.729  10.047 -25.771
  819    HD2  LYS 104           1HD      LYS 104   3.511   8.526 -25.101
  820    HD3  LYS 104           2HD      LYS 104   4.222   8.635 -26.712
  821    HE2  LYS 104           1HE      LYS 104   4.518  11.067 -26.370
  822    HE3  LYS 104           2HE      LYS 104   3.909  10.883 -24.725
  823    HZ1  LYS 104           3HZ      LYS 104   6.129   9.165 -25.520
  824    HZ2  LYS 104           1HZ      LYS 104   5.816   9.914 -24.030
  825    HZ3  LYS 104           2HZ      LYS 104   6.475  10.811 -25.306
  826    H    LYS 105           H        LYS 105  -0.748   6.654 -26.262
  827    HA   LYS 105           HA       LYS 105  -1.921   5.356 -28.610
  828    HB2  LYS 105           1HB      LYS 105  -0.025   4.025 -26.669
  829    HB3  LYS 105           2HB      LYS 105  -1.039   3.146 -27.802
  830    HG2  LYS 105           1HG      LYS 105   0.101   4.498 -29.630
  831    HG3  LYS 105           2HG      LYS 105   1.269   4.967 -28.391
  832    HD2  LYS 105           1HD      LYS 105   0.599   2.127 -29.160
  833    HD3  LYS 105           2HD      LYS 105   2.009   3.024 -29.724
  834    HE2  LYS 105           1HE      LYS 105   1.403   2.479 -26.824
  835    HE3  LYS 105           2HE      LYS 105   2.454   1.473 -27.818
  836    HZ1  LYS 105           3HZ      LYS 105   3.458   3.939 -28.222
  837    HZ2  LYS 105           1HZ      LYS 105   4.052   2.825 -27.093
  838    HZ3  LYS 105           2HZ      LYS 105   2.970   4.033 -26.603
  839    H    LYS 106           H        LYS 106  -1.982   3.028 -26.446
  840    HA   LYS 106           HA       LYS 106  -4.683   3.600 -25.626
  841    HB2  LYS 106           1HB      LYS 106  -2.925   1.229 -24.975
  842    HB3  LYS 106           2HB      LYS 106  -4.666   1.322 -24.748
  843    HG2  LYS 106           1HG      LYS 106  -3.344   1.592 -27.432
  844    HG3  LYS 106           2HG      LYS 106  -3.882   0.050 -26.769
  845    HD2  LYS 106           1HD      LYS 106  -5.713   2.419 -27.069
  846    HD3  LYS 106           2HD      LYS 106  -5.480   1.229 -28.351
  847    HE2  LYS 106           1HE      LYS 106  -6.432   0.621 -25.554
  848    HE3  LYS 106           2HE      LYS 106  -7.467   0.755 -26.975
  849    HZ1  LYS 106           3HZ      LYS 106  -5.279  -1.084 -27.328
  850    HZ2  LYS 106           1HZ      LYS 106  -6.934  -1.295 -27.635
  851    HZ3  LYS 106           2HZ      LYS 106  -6.327  -1.530 -26.072
  852    H    VAL 107           H        VAL 107  -3.364   5.532 -24.443
  853    HA   VAL 107           HA       VAL 107  -3.105   4.677 -21.637
  854    HB   VAL 107           HB       VAL 107  -1.614   6.986 -22.902
  855   HG11  VAL 107          1HG1      VAL 107  -0.749   5.813 -20.334
  856   HG12  VAL 107          2HG1      VAL 107  -0.791   7.496 -20.860
  857   HG13  VAL 107          3HG1      VAL 107  -2.267   6.708 -20.302
  858   HG21  VAL 107          3HG2      VAL 107   0.232   5.688 -23.219
  859   HG22  VAL 107          1HG2      VAL 107  -0.186   4.580 -21.913
  860   HG23  VAL 107          2HG2      VAL 107  -1.011   4.459 -23.466
  Start of MODEL   14
    1    H1   GLY  -1           1H       GLY  -1  -8.914 -17.471   0.400
    2    H2   GLY  -1           2H       GLY  -1  -7.614 -17.161   1.446
    3    H3   GLY  -1           3H       GLY  -1  -8.425 -18.641   1.524
    4    HA2  GLY  -1           1HA      GLY  -1  -7.343 -18.021  -1.073
    5    HA3  GLY  -1           2HA      GLY  -1  -6.139 -18.233   0.192
    6    H    GLY   0           H        GLY   0  -7.146 -19.844  -2.211
    7    HA2  GLY   0           2HA      GLY   0  -6.517 -22.388  -1.471
    8    HA3  GLY   0           1HA      GLY   0  -8.221 -22.254  -1.048
    9    H    SER   1           H        SER   1  -8.810 -20.412  -3.172
   10    HA   SER   1           HA       SER   1  -8.150 -21.591  -5.685
   11    HB2  SER   1           1HB      SER   1  -9.827 -23.231  -4.828
   12    HB3  SER   1           2HB      SER   1 -10.994 -21.919  -4.679
   13    HG   SER   1           HG       SER   1 -10.430 -23.390  -6.820
   14    H    SER   2           H        SER   2  -8.575 -20.178  -7.317
   15    HA   SER   2           HA       SER   2  -9.189 -18.294  -8.418
   16    HB2  SER   2           1HB      SER   2 -11.168 -17.797  -6.187
   17    HB3  SER   2           2HB      SER   2 -11.189 -17.092  -7.804
   18    HG   SER   2           HG       SER   2 -11.106 -19.711  -8.109
   19    H    ARG   3           H        ARG   3  -8.475 -16.209  -8.520
   20    HA   ARG   3           HA       ARG   3  -6.607 -15.359  -6.569
   21    HB2  ARG   3           1HB      ARG   3  -6.575 -13.240  -7.951
   22    HB3  ARG   3           2HB      ARG   3  -6.217 -14.724  -8.824
   23    HG2  ARG   3           1HG      ARG   3  -8.541 -14.779  -9.641
   24    HG3  ARG   3           2HG      ARG   3  -8.843 -13.250  -8.817
   25    HD2  ARG   3           1HD      ARG   3  -8.380 -12.978 -11.230
   26    HD3  ARG   3           2HD      ARG   3  -7.232 -12.125 -10.201
   27    HE   ARG   3           HE       ARG   3  -6.694 -14.559 -11.759
   28   HH11  ARG   3          2HH1      ARG   3  -5.576 -11.782  -9.955
   29   HH12  ARG   3          1HH1      ARG   3  -3.886 -12.124 -10.205
   30   HH21  ARG   3          2HH2      ARG   3  -4.470 -15.008 -12.128
   31   HH22  ARG   3          1HH2      ARG   3  -3.261 -13.970 -11.427
   32    H    HIS   4           H        HIS   4  -6.716 -13.768  -5.025
   33    HA   HIS   4           HA       HIS   4  -9.233 -13.309  -3.818
   34    HB2  HIS   4           1HB      HIS   4  -7.155 -13.382  -2.515
   35    HB3  HIS   4           2HB      HIS   4  -6.580 -11.933  -3.329
   36    HD1  HIS   4           HD1      HIS   4  -9.773 -12.796  -1.409
   37    HD2  HIS   4           HD2      HIS   4  -6.875  -9.820  -1.686
   38    HE1  HIS   4           HE1      HIS   4 -10.434 -11.045   0.264
   39    HE2  HIS   4           HE2      HIS   4  -8.590  -9.336   0.195
   40    H    GLN   5           H        GLN   5  -7.025 -11.162  -5.608
   41    HA   GLN   5           HA       GLN   5  -8.931  -9.002  -5.549
   42    HB2  GLN   5           1HB      GLN   5  -7.320  -7.820  -6.989
   43    HB3  GLN   5           2HB      GLN   5  -6.576  -8.459  -5.534
   44    HG2  GLN   5           1HG      GLN   5  -5.867 -10.438  -6.958
   45    HG3  GLN   5           2HG      GLN   5  -6.317  -9.449  -8.346
   46   HE21  GLN   5          1HE2      GLN   5  -4.035 -10.041  -5.904
   47   HE22  GLN   5          2HE2      GLN   5  -2.896  -8.822  -6.339
   48    H    PHE   6           H        PHE   6 -10.483  -8.594  -6.967
   49    HA   PHE   6           HA       PHE   6 -10.925 -10.402  -9.171
   50    HB2  PHE   6           1HB      PHE   6 -12.485  -7.957  -8.288
   51    HB3  PHE   6           2HB      PHE   6 -13.006  -9.112  -9.510
   52    HD1  PHE   6           HD2      PHE   6 -12.175  -8.758  -5.922
   53    HD2  PHE   6           HD1      PHE   6 -14.141 -11.062  -8.910
   54    HE1  PHE   6           HE2      PHE   6 -13.247 -10.110  -4.167
   55    HE2  PHE   6           HE1      PHE   6 -15.220 -12.418  -7.159
   56    HZ   PHE   6           HZ       PHE   6 -14.770 -11.945  -4.785
   57    H    ASP   7           H        ASP   7 -11.955  -7.256  -9.923
   58    HA   ASP   7           HA       ASP   7  -9.886  -6.990 -11.965
   59    HB2  ASP   7           1HB      ASP   7 -12.325  -5.332 -11.377
   60    HB3  ASP   7           2HB      ASP   7 -11.173  -5.010 -12.686
   61    H    LEU   8           H        LEU   8  -9.649  -6.650  -9.024
   62    HA   LEU   8           HA       LEU   8  -8.838  -3.871  -8.721
   63    HB2  LEU   8           1HB      LEU   8  -8.310  -6.024  -6.712
   64    HB3  LEU   8           2HB      LEU   8  -8.687  -4.326  -6.449
   65    HG   LEU   8           HG       LEU   8 -10.699  -6.177  -7.639
   66   HD11  LEU   8          1HD1      LEU   8 -11.472  -6.925  -5.629
   67   HD12  LEU   8          2HD1      LEU   8  -9.726  -6.952  -5.368
   68   HD13  LEU   8          3HD1      LEU   8 -10.696  -5.627  -4.720
   69   HD21  LEU   8          3HD2      LEU   8 -10.790  -3.529  -6.231
   70   HD22  LEU   8          1HD2      LEU   8 -11.358  -3.939  -7.850
   71   HD23  LEU   8          2HD2      LEU   8 -12.229  -4.531  -6.434
   72    H    ILE   9           H        ILE   9  -7.501  -4.753 -10.713
   73    HA   ILE   9           HA       ILE   9  -5.301  -6.403 -10.296
   74    HB   ILE   9           HB       ILE   9  -5.952  -4.385 -12.422
   75   HG12  ILE   9          1HG1      ILE   9  -5.922  -6.413 -13.856
   76   HG13  ILE   9          2HG1      ILE   9  -5.562  -7.382 -12.430
   77   HG21  ILE   9          1HG2      ILE   9  -3.727  -5.990 -13.199
   78   HG22  ILE   9          2HG2      ILE   9  -3.902  -4.236 -13.201
   79   HG23  ILE   9          3HG2      ILE   9  -3.323  -5.062 -11.754
   80   HD11  ILE   9          3HD1      ILE   9  -8.006  -5.669 -12.708
   81   HD12  ILE   9          1HD1      ILE   9  -7.944  -7.384 -13.143
   82   HD13  ILE   9          2HD1      ILE   9  -7.661  -6.885 -11.468
   83    H    MET  10           H        MET  10  -4.424  -5.805  -8.410
   84    HA   MET  10           HA       MET  10  -3.610  -3.242  -7.757
   85    HB2  MET  10           1HB      MET  10  -3.448  -4.332  -5.805
   86    HB3  MET  10           2HB      MET  10  -3.415  -5.878  -6.634
   87    HG2  MET  10           1HG      MET  10  -1.036  -5.759  -6.863
   88    HG3  MET  10           2HG      MET  10  -1.023  -4.171  -6.089
   89    HE1  MET  10           3HE      MET  10  -3.538  -5.277  -3.566
   90    HE2  MET  10           1HE      MET  10  -2.177  -4.730  -2.584
   91    HE3  MET  10           2HE      MET  10  -2.596  -3.876  -4.071
   92    H    CYS  11           H        CYS  11  -1.861  -2.066  -8.078
   93    HA   CYS  11           HA       CYS  11  -0.474  -2.002 -10.296
   94    HB2  CYS  11           1HB      CYS  11  -0.413  -0.534  -8.096
   95    HB3  CYS  11           2HB      CYS  11   1.131  -1.343  -7.873
   96    H    LEU  12           H        LEU  12   1.066  -3.461  -7.405
   97    HA   LEU  12           HA       LEU  12   2.874  -4.804  -7.189
   98    HB2  LEU  12           1HB      LEU  12   0.737  -6.025  -8.669
   99    HB3  LEU  12           2HB      LEU  12   2.274  -6.766  -9.083
  100    HG   LEU  12           HG       LEU  12   2.634  -7.501  -6.923
  101   HD11  LEU  12          1HD1      LEU  12   2.396  -6.118  -5.240
  102   HD12  LEU  12          2HD1      LEU  12   1.253  -5.135  -6.153
  103   HD13  LEU  12          3HD1      LEU  12   0.681  -6.529  -5.237
  104   HD21  LEU  12          3HD2      LEU  12   0.460  -8.356  -8.156
  105   HD22  LEU  12          1HD2      LEU  12   0.950  -8.957  -6.572
  106   HD23  LEU  12          2HD2      LEU  12  -0.287  -7.708  -6.696
  107    H    LYS  13           H        LYS  13   3.664  -2.724  -8.763
  108    HA   LYS  13           HA       LYS  13   5.223  -3.861 -10.956
  109    HB2  LYS  13           1HB      LYS  13   5.067  -1.024  -9.942
  110    HB3  LYS  13           2HB      LYS  13   5.922  -1.556 -11.378
  111    HG2  LYS  13           1HG      LYS  13   3.779  -2.275 -12.348
  112    HG3  LYS  13           2HG      LYS  13   2.957  -1.597 -10.945
  113    HD2  LYS  13           1HD      LYS  13   3.996   0.579 -11.433
  114    HD3  LYS  13           2HD      LYS  13   4.664  -0.118 -12.913
  115    HE2  LYS  13           1HE      LYS  13   1.753   0.032 -12.208
  116    HE3  LYS  13           2HE      LYS  13   2.602   1.112 -13.289
  117    HZ1  LYS  13           3HZ      LYS  13   3.241  -1.159 -14.427
  118    HZ2  LYS  13           1HZ      LYS  13   1.795  -0.354 -14.806
  119    HZ3  LYS  13           2HZ      LYS  13   1.777  -1.654 -13.718
  120    H    GLN  14           H        GLN  14   7.274  -1.761 -10.485
  121    HA   GLN  14           HA       GLN  14   8.857  -3.288  -8.538
  122    HB2  GLN  14           1HB      GLN  14   9.679  -2.743 -10.903
  123    HB3  GLN  14           2HB      GLN  14   9.850  -1.086 -10.340
  124    HG2  GLN  14           1HG      GLN  14  11.962  -2.105 -10.163
  125    HG3  GLN  14           2HG      GLN  14  11.323  -1.941  -8.531
  126   HE21  GLN  14          1HE2      GLN  14   9.776  -4.395 -10.259
  127   HE22  GLN  14          2HE2      GLN  14  10.652  -5.737  -9.614
  128    HA   PRO  15           HA       PRO  15   7.604  -0.171  -5.561
  129    HB2  PRO  15           1HB      PRO  15   9.830  -1.480  -4.073
  130    HB3  PRO  15           2HB      PRO  15   8.187  -1.108  -3.540
  131    HG2  PRO  15           1HG      PRO  15   8.853  -3.599  -4.176
  132    HG3  PRO  15           2HG      PRO  15   7.274  -2.941  -4.645
  133    HD2  PRO  15           1HD      PRO  15   9.711  -3.400  -6.308
  134    HD3  PRO  15           2HD      PRO  15   7.999  -3.588  -6.738
  135    H    GLY  16           H        GLY  16   8.248   1.842  -5.222
  136    HA2  GLY  16           2HA      GLY  16  10.974   2.590  -5.992
  137    HA3  GLY  16           1HA      GLY  16   9.608   3.684  -5.837
  138    H    VAL  17           H        VAL  17  10.479   5.113  -4.417
  139    HA   VAL  17           HA       VAL  17  11.681   4.087  -1.972
  140    HB   VAL  17           HB       VAL  17  12.362   6.437  -1.559
  141   HG11  VAL  17          1HG1      VAL  17  13.562   4.637  -3.068
  142   HG12  VAL  17          2HG1      VAL  17  13.242   5.823  -4.333
  143   HG13  VAL  17          3HG1      VAL  17  14.192   6.278  -2.918
  144   HG21  VAL  17          3HG2      VAL  17  10.358   7.212  -3.129
  145   HG22  VAL  17          1HG2      VAL  17  11.806   8.195  -2.897
  146   HG23  VAL  17          2HG2      VAL  17  11.644   7.190  -4.338
  147    H    GLN  18           H        GLN  18   8.883   5.993  -2.975
  148    HA   GLN  18           HA       GLN  18   8.287   6.872  -0.336
  149    HB2  GLN  18           1HB      GLN  18   6.621   6.918  -2.849
  150    HB3  GLN  18           2HB      GLN  18   6.157   7.688  -1.337
  151    HG2  GLN  18           1HG      GLN  18   8.234   9.047  -1.461
  152    HG3  GLN  18           2HG      GLN  18   8.539   8.343  -3.052
  153   HE21  GLN  18          1HE2      GLN  18   8.212   9.913  -4.453
  154   HE22  GLN  18          2HE2      GLN  18   6.802  10.911  -4.538
  155    H    THR  19           H        THR  19   6.865   6.187   1.128
  156    HA   THR  19           HA       THR  19   5.927   3.453   0.916
  157    HB   THR  19           HB       THR  19   5.638   5.409   3.212
  158    HG1  THR  19           HG1      THR  19   7.859   4.971   2.648
  159   HG21  THR  19          1HG2      THR  19   4.936   3.666   4.524
  160   HG22  THR  19          2HG2      THR  19   5.763   2.454   3.541
  161   HG23  THR  19          3HG2      THR  19   4.252   3.170   2.976
  162    H    GLY  20           H        GLY  20   3.868   2.859   0.507
  163    HA2  GLY  20           2HA      GLY  20   1.960   4.736  -0.409
  164    HA3  GLY  20           1HA      GLY  20   1.665   3.032  -0.107
  165    H    LEU  21           H        LEU  21   0.238   5.675   0.526
  166    HA   LEU  21           HA       LEU  21  -0.010   5.363   3.432
  167    HB2  LEU  21           1HB      LEU  21  -0.908   7.618   1.643
  168    HB3  LEU  21           2HB      LEU  21  -1.050   7.581   3.389
  169    HG   LEU  21           HG       LEU  21   1.555   7.587   1.862
  170   HD11  LEU  21          1HD1      LEU  21   0.551   9.709   1.597
  171   HD12  LEU  21          2HD1      LEU  21   0.015   9.739   3.278
  172   HD13  LEU  21          3HD1      LEU  21   1.732   9.869   2.897
  173   HD21  LEU  21          3HD2      LEU  21   1.714   6.444   4.011
  174   HD22  LEU  21          1HD2      LEU  21   2.556   7.996   4.045
  175   HD23  LEU  21          2HD2      LEU  21   0.973   7.835   4.806
  176    H    LEU  22           H        LEU  22  -2.144   5.605   4.379
  177    HA   LEU  22           HA       LEU  22  -4.335   4.706   2.622
  178    HB2  LEU  22           1HB      LEU  22  -3.818   3.945   5.497
  179    HB3  LEU  22           2HB      LEU  22  -5.280   3.555   4.610
  180    HG   LEU  22           HG       LEU  22  -2.509   2.560   4.006
  181   HD11  LEU  22          1HD1      LEU  22  -4.353   1.695   5.890
  182   HD12  LEU  22          2HD1      LEU  22  -4.562   0.596   4.526
  183   HD13  LEU  22          3HD1      LEU  22  -2.974   0.786   5.268
  184   HD21  LEU  22          3HD2      LEU  22  -5.134   2.062   2.624
  185   HD22  LEU  22          1HD2      LEU  22  -3.709   2.852   1.949
  186   HD23  LEU  22          2HD2      LEU  22  -3.661   1.132   2.341
  187    H    CYS  23           H        CYS  23  -6.116   5.910   2.683
  188    HA   CYS  23           HA       CYS  23  -6.200   8.301   4.260
  189    HB2  CYS  23           1HB      CYS  23  -8.142   8.875   3.050
  190    HB3  CYS  23           2HB      CYS  23  -7.157   7.994   1.892
  191    H    GLU  24           H        GLU  24  -8.089   8.791   5.675
  192    HA   GLU  24           HA       GLU  24  -8.233   6.884   7.719
  193    HB2  GLU  24           1HB      GLU  24 -10.086   9.226   7.278
  194    HB3  GLU  24           2HB      GLU  24  -9.804   8.385   8.800
  195    HG2  GLU  24           1HG      GLU  24  -7.405   9.058   8.630
  196    HG3  GLU  24           2HG      GLU  24  -7.846  10.047   7.241
  197    H    LYS  25           H        LYS  25 -10.034   7.181   4.856
  198    HA   LYS  25           HA       LYS  25 -12.397   5.833   5.766
  199    HB2  LYS  25           1HB      LYS  25 -11.415   6.397   2.965
  200    HB3  LYS  25           2HB      LYS  25 -13.027   5.834   3.395
  201    HG2  LYS  25           1HG      LYS  25 -13.561   7.864   4.465
  202    HG3  LYS  25           2HG      LYS  25 -11.879   8.393   4.463
  203    HD2  LYS  25           1HD      LYS  25 -11.909   8.625   2.067
  204    HD3  LYS  25           2HD      LYS  25 -13.539   7.954   1.987
  205    HE2  LYS  25           1HE      LYS  25 -12.785  10.502   3.411
  206    HE3  LYS  25           2HE      LYS  25 -13.483  10.421   1.794
  207    HZ1  LYS  25           3HZ      LYS  25 -15.070   8.922   3.585
  208    HZ2  LYS  25           1HZ      LYS  25 -15.493  10.285   2.673
  209    HZ3  LYS  25           2HZ      LYS  25 -14.829  10.474   4.222
  210    H    CYS  26           H        CYS  26  -9.386   4.876   4.181
  211    HA   CYS  26           HA       CYS  26 -10.291   2.066   4.303
  212    HB2  CYS  26           1HB      CYS  26  -7.819   2.928   2.820
  213    HB3  CYS  26           2HB      CYS  26  -8.762   1.462   2.619
  214    H    ASP  27           H        ASP  27  -9.445   3.714   6.486
  215    HA   ASP  27           HA       ASP  27  -6.709   3.429   7.031
  216    HB2  ASP  27           1HB      ASP  27  -8.303   5.134   8.015
  217    HB3  ASP  27           2HB      ASP  27  -8.866   3.864   9.095
  218    H    GLY  28           H        GLY  28  -5.559   1.901   7.898
  219    HA2  GLY  28           2HA      GLY  28  -4.943   0.094   9.170
  220    HA3  GLY  28           1HA      GLY  28  -6.547   0.119   9.884
  221    H    LYS  29           H        LYS  29  -6.089  -0.164   6.436
  222    HA   LYS  29           HA       LYS  29  -6.832  -3.007   6.652
  223    HB2  LYS  29           1HB      LYS  29  -7.452  -1.187   4.326
  224    HB3  LYS  29           2HB      LYS  29  -7.996  -2.843   4.545
  225    HG2  LYS  29           1HG      LYS  29  -9.197  -2.003   6.622
  226    HG3  LYS  29           2HG      LYS  29  -8.875  -0.380   6.009
  227    HD2  LYS  29           1HD      LYS  29 -10.433  -2.564   4.626
  228    HD3  LYS  29           2HD      LYS  29 -11.080  -1.075   5.315
  229    HE2  LYS  29           1HE      LYS  29  -9.838   0.237   3.682
  230    HE3  LYS  29           2HE      LYS  29  -9.138  -1.237   3.014
  231    HZ1  LYS  29           3HZ      LYS  29 -11.722  -0.064   2.555
  232    HZ2  LYS  29           1HZ      LYS  29 -11.801  -1.719   2.915
  233    HZ3  LYS  29           2HZ      LYS  29 -10.856  -1.184   1.619
  234    H    CYS  30           H        CYS  30  -5.395  -4.398   5.881
  235    HA   CYS  30           HA       CYS  30  -2.943  -3.628   4.703
  236    HB2  CYS  30           1HB      CYS  30  -3.076  -5.698   5.901
  237    HB3  CYS  30           2HB      CYS  30  -4.406  -6.264   4.900
  238    HA   PRO  31           HA       PRO  31  -4.603  -2.504   0.744
  239    HB2  PRO  31           1HB      PRO  31  -1.755  -2.894  -0.052
  240    HB3  PRO  31           2HB      PRO  31  -2.832  -1.523  -0.347
  241    HG2  PRO  31           1HG      PRO  31  -0.953  -1.383   1.526
  242    HG3  PRO  31           2HG      PRO  31  -2.557  -0.675   1.789
  243    HD2  PRO  31           1HD      PRO  31  -1.386  -3.182   2.896
  244    HD3  PRO  31           2HD      PRO  31  -2.513  -2.033   3.644
  245    H    ILE  32           H        ILE  32  -2.319  -5.181   1.011
  246    HA   ILE  32           HA       ILE  32  -2.718  -6.289  -1.514
  247    HB   ILE  32           HB       ILE  32  -1.965  -7.745   1.018
  248   HG12  ILE  32          1HG1      ILE  32  -0.560  -5.703   0.266
  249   HG13  ILE  32          2HG1      ILE  32   0.281  -7.208   0.619
  250   HG21  ILE  32          1HG2      ILE  32  -1.584  -9.589  -0.189
  251   HG22  ILE  32          2HG2      ILE  32  -2.634  -8.835  -1.391
  252   HG23  ILE  32          3HG2      ILE  32  -0.882  -8.681  -1.530
  253   HD11  ILE  32          3HD1      ILE  32   0.883  -5.830  -1.493
  254   HD12  ILE  32          1HD1      ILE  32   0.793  -7.591  -1.583
  255   HD13  ILE  32          2HD1      ILE  32  -0.545  -6.606  -2.179
  256    H    CYS  33           H        CYS  33  -4.256  -7.184   1.584
  257    HA   CYS  33           HA       CYS  33  -6.058  -8.909   0.034
  258    HB2  CYS  33           1HB      CYS  33  -6.219 -10.322   1.999
  259    HB3  CYS  33           2HB      CYS  33  -4.531 -10.070   1.575
  260    H    ASP  34           H        ASP  34  -6.083  -6.072   1.814
  261    HA   ASP  34           HA       ASP  34  -7.725  -4.738   2.647
  262    HB2  ASP  34           1HB      ASP  34  -8.888  -5.344   0.505
  263    HB3  ASP  34           2HB      ASP  34  -9.688  -6.654   1.364
  264    H    SER  35           H        SER  35  -6.818  -5.777   4.640
  265    HA   SER  35           HA       SER  35  -8.947  -6.926   6.254
  266    HB2  SER  35           1HB      SER  35  -7.848  -8.861   5.155
  267    HB3  SER  35           2HB      SER  35  -6.304  -8.349   5.834
  268    HG   SER  35           HG       SER  35  -7.508 -10.027   7.001
  269    H    TYR  36           H        TYR  36  -8.697  -6.559   8.426
  270    HA   TYR  36           HA       TYR  36  -6.744  -4.524   9.122
  271    HB2  TYR  36           1HB      TYR  36  -9.032  -5.722  10.696
  272    HB3  TYR  36           2HB      TYR  36  -8.018  -4.403  11.261
  273    HD1  TYR  36           HD1      TYR  36  -9.986  -5.204   8.168
  274    HD2  TYR  36           HD2      TYR  36  -8.980  -2.324  11.132
  275    HE1  TYR  36           HE1      TYR  36 -11.507  -3.593   7.111
  276    HE2  TYR  36           HE2      TYR  36 -10.503  -0.703  10.082
  277    HH   TYR  36           HH       TYR  36 -11.463  -0.356   7.679
  278    H    VAL  37           H        VAL  37  -6.562  -7.745   9.036
  279    HA   VAL  37           HA       VAL  37  -5.724  -8.573  11.562
  280    HB   VAL  37           HB       VAL  37  -6.329 -10.102   9.731
  281   HG11  VAL  37          1HG1      VAL  37  -5.428  -9.413   7.761
  282   HG12  VAL  37          2HG1      VAL  37  -3.892  -8.951   8.495
  283   HG13  VAL  37          3HG1      VAL  37  -4.253 -10.652   8.204
  284   HG21  VAL  37          3HG2      VAL  37  -4.796 -10.696  11.740
  285   HG22  VAL  37          1HG2      VAL  37  -4.975 -11.846  10.414
  286   HG23  VAL  37          2HG2      VAL  37  -3.538 -10.830  10.512
  287    H    ARG  38           H        ARG  38  -3.675  -9.022  12.412
  288    HA   ARG  38           HA       ARG  38  -1.967  -7.125  12.910
  289    HB2  ARG  38           1HB      ARG  38  -1.015  -9.929  12.328
  290    HB3  ARG  38           2HB      ARG  38  -0.155  -8.737  13.289
  291    HG2  ARG  38           1HG      ARG  38  -2.833  -9.930  13.948
  292    HG3  ARG  38           2HG      ARG  38  -1.289 -10.363  14.684
  293    HD2  ARG  38           1HD      ARG  38  -2.555  -7.627  14.778
  294    HD3  ARG  38           2HD      ARG  38  -2.616  -8.814  16.078
  295    HE   ARG  38           HE       ARG  38   0.073  -8.284  15.322
  296   HH11  ARG  38          2HH1      ARG  38  -2.630  -6.866  17.055
  297   HH12  ARG  38          1HH1      ARG  38  -1.618  -5.969  18.143
  298   HH21  ARG  38          2HH2      ARG  38   1.393  -7.069  16.708
  299   HH22  ARG  38          1HH2      ARG  38   0.676  -6.065  17.936
  300    HA   PRO  39           HA       PRO  39   0.224  -5.932   9.217
  301    HB2  PRO  39           1HB      PRO  39   1.745  -4.027  10.343
  302    HB3  PRO  39           2HB      PRO  39   0.009  -3.803  10.094
  303    HG2  PRO  39           1HG      PRO  39   1.487  -4.526  12.588
  304    HG3  PRO  39           2HG      PRO  39   0.122  -3.418  12.378
  305    HD2  PRO  39           1HD      PRO  39  -0.101  -6.002  13.289
  306    HD3  PRO  39           2HD      PRO  39  -1.413  -5.097  12.506
  307    H    LYS  40           H        LYS  40   2.848  -5.058   9.276
  308    HA   LYS  40           HA       LYS  40   4.593  -6.781  10.713
  309    HB2  LYS  40           1HB      LYS  40   3.645  -8.427   9.133
  310    HB3  LYS  40           2HB      LYS  40   4.166  -7.426   7.787
  311    HG2  LYS  40           1HG      LYS  40   5.718  -9.214   8.025
  312    HG3  LYS  40           2HG      LYS  40   6.517  -7.732   8.554
  313    HD2  LYS  40           1HD      LYS  40   5.137  -9.161  10.701
  314    HD3  LYS  40           2HD      LYS  40   6.437 -10.088   9.952
  315    HE2  LYS  40           1HE      LYS  40   6.723  -7.280  11.011
  316    HE3  LYS  40           2HE      LYS  40   7.165  -8.734  11.903
  317    HZ1  LYS  40           3HZ      LYS  40   9.002  -9.057  10.656
  318    HZ2  LYS  40           1HZ      LYS  40   8.886  -7.378  10.423
  319    HZ3  LYS  40           2HZ      LYS  40   8.308  -8.442   9.237
  320    H    ARG  41           H        ARG  41   4.277  -5.054   7.599
  321    HA   ARG  41           HA       ARG  41   6.571  -3.383   8.247
  322    HB2  ARG  41           1HB      ARG  41   7.557  -5.475   7.349
  323    HB3  ARG  41           2HB      ARG  41   6.614  -5.276   5.882
  324    HG2  ARG  41           1HG      ARG  41   7.826  -3.286   5.307
  325    HG3  ARG  41           2HG      ARG  41   8.683  -3.319   6.850
  326    HD2  ARG  41           1HD      ARG  41  10.103  -4.188   5.081
  327    HD3  ARG  41           2HD      ARG  41   9.703  -5.462   6.230
  328    HE   ARG  41           HE       ARG  41   8.695  -6.611   4.538
  329   HH11  ARG  41          2HH1      ARG  41   8.982  -3.253   3.554
  330   HH12  ARG  41          1HH1      ARG  41   8.305  -3.526   1.975
  331   HH21  ARG  41          2HH2      ARG  41   7.808  -6.975   2.456
  332   HH22  ARG  41          1HH2      ARG  41   7.668  -5.639   1.349
  333    H    LYS  42           H        LYS  42   6.667  -1.495   7.024
  334    HA   LYS  42           HA       LYS  42   4.248  -0.561   5.940
  335    HB2  LYS  42           1HB      LYS  42   7.059   0.501   5.772
  336    HB3  LYS  42           2HB      LYS  42   5.692   1.332   5.046
  337    HG2  LYS  42           1HG      LYS  42   4.633   1.388   7.311
  338    HG3  LYS  42           2HG      LYS  42   6.152   0.763   7.961
  339    HD2  LYS  42           1HD      LYS  42   7.338   2.696   7.055
  340    HD3  LYS  42           2HD      LYS  42   5.829   3.315   6.381
  341    HE2  LYS  42           1HE      LYS  42   4.908   3.523   8.631
  342    HE3  LYS  42           2HE      LYS  42   6.402   2.877   9.311
  343    HZ1  LYS  42           3HZ      LYS  42   5.844   5.509   8.867
  344    HZ2  LYS  42           1HZ      LYS  42   6.866   5.104   7.574
  345    HZ3  LYS  42           2HZ      LYS  42   7.376   4.854   9.171
  346    H    VAL  43           H        VAL  43   3.525  -0.235   3.916
  347    HA   VAL  43           HA       VAL  43   4.534  -1.970   1.861
  348    HB   VAL  43           HB       VAL  43   2.642  -1.202   0.535
  349   HG11  VAL  43          1HG1      VAL  43   2.378  -2.871   2.434
  350   HG12  VAL  43          2HG1      VAL  43   1.638  -1.552   3.341
  351   HG13  VAL  43          3HG1      VAL  43   0.906  -2.106   1.836
  352   HG21  VAL  43          3HG2      VAL  43   2.145   0.974   0.775
  353   HG22  VAL  43          1HG2      VAL  43   1.079   0.398   2.059
  354   HG23  VAL  43          2HG2      VAL  43   2.685   1.012   2.454
  355    H    ARG  44           H        ARG  44   5.622  -1.420   0.011
  356    HA   ARG  44           HA       ARG  44   6.409   1.407  -0.220
  357    HB2  ARG  44           1HB      ARG  44   7.824  -1.111  -1.067
  358    HB3  ARG  44           2HB      ARG  44   8.270   0.470  -1.696
  359    HG2  ARG  44           1HG      ARG  44   8.777   1.255   0.532
  360    HG3  ARG  44           2HG      ARG  44   8.235  -0.277   1.219
  361    HD2  ARG  44           1HD      ARG  44  10.665  -0.157   1.072
  362    HD3  ARG  44           2HD      ARG  44  10.016  -1.449   0.067
  363    HE   ARG  44           HE       ARG  44  10.337   0.916  -1.460
  364   HH11  ARG  44          2HH1      ARG  44  12.157  -1.716  -0.028
  365   HH12  ARG  44          1HH1      ARG  44  13.515  -1.525  -1.106
  366   HH21  ARG  44          2HH2      ARG  44  12.075   1.117  -2.919
  367   HH22  ARG  44          1HH2      ARG  44  13.436   0.042  -2.787
  368    H    VAL  45           H        VAL  45   5.499   2.508  -1.778
  369    HA   VAL  45           HA       VAL  45   4.004   1.163  -3.841
  370    HB   VAL  45           HB       VAL  45   3.610   3.489  -2.554
  371   HG11  VAL  45          1HG1      VAL  45   3.876   5.363  -4.052
  372   HG12  VAL  45          2HG1      VAL  45   5.435   4.651  -3.636
  373   HG13  VAL  45          3HG1      VAL  45   4.706   4.317  -5.207
  374   HG21  VAL  45          3HG2      VAL  45   2.377   2.020  -4.529
  375   HG22  VAL  45          1HG2      VAL  45   1.675   3.284  -3.518
  376   HG23  VAL  45          2HG2      VAL  45   2.362   3.692  -5.095
  377    H    CYS  46           H        CYS  46   4.434   1.291  -6.024
  378    HA   CYS  46           HA       CYS  46   7.183   1.153  -6.687
  379    HB2  CYS  46           1HB      CYS  46   6.527   0.511  -8.841
  380    HB3  CYS  46           2HB      CYS  46   5.202  -0.051  -7.834
  381    H    GLU  47           H        GLU  47   8.239   2.419  -8.397
  382    HA   GLU  47           HA       GLU  47   8.192   5.183  -7.845
  383    HB2  GLU  47           1HB      GLU  47  10.159   3.985  -8.741
  384    HB3  GLU  47           2HB      GLU  47   9.315   3.755 -10.266
  385    HG2  GLU  47           1HG      GLU  47   9.293   6.124 -10.671
  386    HG3  GLU  47           2HG      GLU  47   9.990   6.435  -9.081
  387    H    ASN  48           H        ASN  48   6.510   3.188 -10.130
  388    HA   ASN  48           HA       ASN  48   5.451   5.362 -11.693
  389    HB2  ASN  48           1HB      ASN  48   4.802   2.423 -11.541
  390    HB3  ASN  48           2HB      ASN  48   3.984   3.548 -12.613
  391   HD21  ASN  48          1HD2      ASN  48   4.852   3.945 -14.541
  392   HD22  ASN  48          2HD2      ASN  48   6.426   3.430 -15.046
  393    H    CYS  49           H        CYS  49   5.105   5.622  -8.945
  394    HA   CYS  49           HA       CYS  49   2.341   6.308  -8.860
  395    HB2  CYS  49           1HB      CYS  49   3.376   4.210  -6.919
  396    HB3  CYS  49           2HB      CYS  49   1.999   5.243  -6.559
  397    H    SER  50           H        SER  50   5.438   5.973  -7.262
  398    HA   SER  50           HA       SER  50   4.981   8.329  -5.622
  399    HB2  SER  50           1HB      SER  50   7.198   7.759  -4.662
  400    HB3  SER  50           2HB      SER  50   6.062   6.413  -4.574
  401    HG   SER  50           HG       SER  50   8.104   6.769  -6.515
  402    H    PHE  51           H        PHE  51   5.087   8.653  -8.496
  403    HA   PHE  51           HA       PHE  51   7.687   9.622  -9.155
  404    HB2  PHE  51           1HB      PHE  51   6.240  10.661 -11.135
  405    HB3  PHE  51           2HB      PHE  51   6.739   8.984 -11.107
  406    HD1  PHE  51           HD2      PHE  51   3.898  10.942  -9.627
  407    HD2  PHE  51           HD1      PHE  51   5.156   7.576 -11.906
  408    HE1  PHE  51           HE2      PHE  51   1.556  10.234  -9.873
  409    HE2  PHE  51           HE1      PHE  51   2.815   6.874 -12.168
  410    HZ   PHE  51           HZ       PHE  51   1.011   8.200 -11.148
  411    H    GLY  52           H        GLY  52   4.760  11.088  -7.925
  412    HA2  GLY  52           2HA      GLY  52   5.805  13.140  -6.605
  413    HA3  GLY  52           1HA      GLY  52   5.838  13.778  -8.243
  414    H    LYS  53           H        LYS  53   3.701  13.644  -9.418
  415    HA   LYS  53           HA       LYS  53   1.690  14.900  -7.796
  416    HB2  LYS  53           1HB      LYS  53   2.129  15.517 -10.163
  417    HB3  LYS  53           2HB      LYS  53   1.560  13.933 -10.659
  418    HG2  LYS  53           1HG      LYS  53  -0.298  15.189 -11.042
  419    HG3  LYS  53           2HG      LYS  53  -0.615  14.647  -9.395
  420    HD2  LYS  53           1HD      LYS  53   0.701  17.276 -10.050
  421    HD3  LYS  53           2HD      LYS  53  -1.041  17.091  -9.848
  422    HE2  LYS  53           1HE      LYS  53  -0.654  16.240  -7.566
  423    HE3  LYS  53           2HE      LYS  53   1.075  16.502  -7.779
  424    HZ1  LYS  53           3HZ      LYS  53   0.626  18.868  -8.095
  425    HZ2  LYS  53           1HZ      LYS  53   0.087  18.330  -6.579
  426    HZ3  LYS  53           2HZ      LYS  53  -1.027  18.597  -7.832
  427    H    GLN  54           H        GLN  54   0.146  13.895  -6.671
  428    HA   GLN  54           HA       GLN  54  -1.343  12.339  -5.943
  429    HB2  GLN  54           1HB      GLN  54  -1.007  11.148  -8.698
  430    HB3  GLN  54           2HB      GLN  54  -2.215  10.647  -7.521
  431    HG2  GLN  54           1HG      GLN  54  -3.142  12.903  -7.537
  432    HG3  GLN  54           2HG      GLN  54  -1.956  13.363  -8.758
  433   HE21  GLN  54          1HE2      GLN  54  -2.949  13.557 -10.639
  434   HE22  GLN  54          2HE2      GLN  54  -4.120  12.462 -11.291
  435    H    ALA  55           H        ALA  55   1.071  12.079  -5.015
  436    HA   ALA  55           HA       ALA  55   1.877   9.285  -5.366
  437    HB1  ALA  55           3HB      ALA  55   3.356  11.542  -5.510
  438    HB2  ALA  55           1HB      ALA  55   3.624  11.071  -3.829
  439    HB3  ALA  55           2HB      ALA  55   4.006   9.944  -5.134
  440    H    LYS  56           H        LYS  56   0.810  11.630  -2.992
  441    HA   LYS  56           HA       LYS  56   1.181   9.693  -0.830
  442    HB2  LYS  56           1HB      LYS  56   0.198  12.545  -0.709
  443    HB3  LYS  56           2HB      LYS  56   0.547  11.506   0.671
  444    HG2  LYS  56           1HG      LYS  56   2.886  11.471   0.106
  445    HG3  LYS  56           2HG      LYS  56   2.579  12.381  -1.375
  446    HD2  LYS  56           1HD      LYS  56   2.045  13.383   1.421
  447    HD3  LYS  56           2HD      LYS  56   3.460  13.792   0.450
  448    HE2  LYS  56           1HE      LYS  56   2.001  14.798  -1.244
  449    HE3  LYS  56           2HE      LYS  56   0.590  14.395  -0.268
  450    HZ1  LYS  56           3HZ      LYS  56   2.359  16.614  -0.046
  451    HZ2  LYS  56           1HZ      LYS  56   2.256  15.773   1.423
  452    HZ3  LYS  56           2HZ      LYS  56   0.850  16.369   0.684
  453    H    ASN  57           H        ASN  57  -1.036   9.766  -3.067
  454    HA   ASN  57           HA       ASN  57  -3.415   9.990  -1.484
  455    HB2  ASN  57           1HB      ASN  57  -4.653   9.078  -3.364
  456    HB3  ASN  57           2HB      ASN  57  -3.580  10.338  -3.913
  457   HD21  ASN  57          1HD2      ASN  57  -2.756   9.921  -5.786
  458   HD22  ASN  57          2HD2      ASN  57  -2.271   8.374  -6.386
  459    H    CYS  58           H        CYS  58  -4.728   8.367  -0.794
  460    HA   CYS  58           HA       CYS  58  -3.478   6.207   0.455
  461    HB2  CYS  58           1HB      CYS  58  -5.459   7.031   1.382
  462    HB3  CYS  58           2HB      CYS  58  -6.311   6.960  -0.151
  463    H    ILE  59           H        ILE  59  -2.693   4.506  -0.414
  464    HA   ILE  59           HA       ILE  59  -2.762   3.881  -3.078
  465    HB   ILE  59           HB       ILE  59  -1.766   1.676  -2.373
  466   HG12  ILE  59          1HG1      ILE  59  -2.465   2.841   0.316
  467   HG13  ILE  59          2HG1      ILE  59  -2.768   1.217  -0.288
  468   HG21  ILE  59          1HG2      ILE  59   0.020   2.985  -2.662
  469   HG22  ILE  59          2HG2      ILE  59  -0.806   4.379  -1.969
  470   HG23  ILE  59          3HG2      ILE  59   0.017   3.229  -0.915
  471   HD11  ILE  59          3HD1      ILE  59  -0.545   2.225   1.219
  472   HD12  ILE  59          1HD1      ILE  59  -0.975   0.559   0.811
  473   HD13  ILE  59          2HD1      ILE  59   0.004   1.513  -0.302
  474    H    ILE  60           H        ILE  60  -4.915   2.725  -0.578
  475    HA   ILE  60           HA       ILE  60  -5.899   0.516  -2.055
  476    HB   ILE  60           HB       ILE  60  -6.943   1.933   0.384
  477   HG12  ILE  60          1HG1      ILE  60  -5.695  -0.777  -0.114
  478   HG13  ILE  60          2HG1      ILE  60  -4.947   0.590   0.706
  479   HG21  ILE  60          1HG2      ILE  60  -8.545   0.045   0.616
  480   HG22  ILE  60          2HG2      ILE  60  -8.912   1.134  -0.723
  481   HG23  ILE  60          3HG2      ILE  60  -8.159  -0.431  -1.036
  482   HD11  ILE  60          3HD1      ILE  60  -6.214   0.301   2.612
  483   HD12  ILE  60          1HD1      ILE  60  -7.473  -0.592   1.763
  484   HD13  ILE  60          2HD1      ILE  60  -5.919  -1.359   2.094
  485    H    CYS  61           H        CYS  61  -7.170   3.848  -1.631
  486    HA   CYS  61           HA       CYS  61  -9.216   3.112  -3.593
  487    HB2  CYS  61           1HB      CYS  61 -10.373   5.236  -2.999
  488    HB3  CYS  61           2HB      CYS  61 -10.265   4.065  -1.686
  489    H    ASN  62           H        ASN  62  -6.277   4.766  -3.393
  490    HA   ASN  62           HA       ASN  62  -5.033   5.982  -4.810
  491    HB2  ASN  62           1HB      ASN  62  -5.094   5.459  -7.108
  492    HB3  ASN  62           2HB      ASN  62  -5.677   4.014  -6.302
  493   HD21  ASN  62          1HD2      ASN  62  -7.531   3.170  -6.968
  494   HD22  ASN  62          2HD2      ASN  62  -8.712   3.969  -7.957
  495    H    LEU  63           H        LEU  63  -7.638   7.061  -3.722
  496    HA   LEU  63           HA       LEU  63  -7.824   9.361  -5.535
  497    HB2  LEU  63           1HB      LEU  63  -9.684   7.419  -5.311
  498    HB3  LEU  63           2HB      LEU  63 -10.244   8.510  -4.067
  499    HG   LEU  63           HG       LEU  63 -11.423   9.036  -6.064
  500   HD11  LEU  63          1HD1      LEU  63 -10.168  11.330  -6.640
  501   HD12  LEU  63          2HD1      LEU  63 -11.127  11.093  -5.179
  502   HD13  LEU  63          3HD1      LEU  63  -9.371  10.930  -5.117
  503   HD21  LEU  63          3HD2      LEU  63  -9.619   7.906  -7.472
  504   HD22  LEU  63          1HD2      LEU  63 -10.461   9.290  -8.174
  505   HD23  LEU  63          2HD2      LEU  63  -8.838   9.487  -7.507
  506    H    ASN  64           H        ASN  64  -8.977   8.331  -2.311
  507    HA   ASN  64           HA       ASN  64  -8.904  11.007  -1.305
  508    HB2  ASN  64           1HB      ASN  64  -9.211   8.345   0.093
  509    HB3  ASN  64           2HB      ASN  64  -9.298   9.896   0.919
  510   HD21  ASN  64          1HD2      ASN  64 -11.082   7.515  -0.473
  511   HD22  ASN  64          2HD2      ASN  64 -12.526   8.402  -0.825
  512    H    VAL  65           H        VAL  65  -7.406  11.970   0.022
  513    HA   VAL  65           HA       VAL  65  -4.725  11.293  -0.433
  514    HB   VAL  65           HB       VAL  65  -5.782  13.064   1.777
  515   HG11  VAL  65          1HG1      VAL  65  -3.085  12.697   0.519
  516   HG12  VAL  65          2HG1      VAL  65  -3.528  14.204   1.320
  517   HG13  VAL  65          3HG1      VAL  65  -3.520  12.693   2.228
  518   HG21  VAL  65          3HG2      VAL  65  -6.691  13.848  -0.292
  519   HG22  VAL  65          1HG2      VAL  65  -5.345  14.906   0.134
  520   HG23  VAL  65          2HG2      VAL  65  -5.137  13.668  -1.105
  521    H    GLY  66           H        GLY  66  -3.258  10.111   0.644
  522    HA2  GLY  66           2HA      GLY  66  -4.181   8.272   2.633
  523    HA3  GLY  66           1HA      GLY  66  -2.548   8.399   2.006
  524    H    VAL  67           H        VAL  67  -3.815   8.191   4.730
  525    HA   VAL  67           HA       VAL  67  -2.630  10.572   5.977
  526    HB   VAL  67           HB       VAL  67  -4.587   8.588   7.144
  527   HG11  VAL  67          1HG1      VAL  67  -3.454  11.175   8.160
  528   HG12  VAL  67          2HG1      VAL  67  -4.930  10.460   8.807
  529   HG13  VAL  67          3HG1      VAL  67  -3.403   9.579   8.916
  530   HG21  VAL  67          3HG2      VAL  67  -5.196  10.280   5.160
  531   HG22  VAL  67          1HG2      VAL  67  -6.331   9.836   6.440
  532   HG23  VAL  67          2HG2      VAL  67  -5.432  11.352   6.545
  533    H    ASN  68           H        ASN  68  -3.106   7.113   6.641
  534    HA   ASN  68           HA       ASN  68  -0.620   7.149   8.210
  535    HB2  ASN  68           1HB      ASN  68  -2.880   5.133   8.183
  536    HB3  ASN  68           2HB      ASN  68  -1.461   5.063   9.220
  537   HD21  ASN  68          1HD2      ASN  68  -4.588   5.712   9.297
  538   HD22  ASN  68          2HD2      ASN  68  -4.642   6.947  10.512
  539    H    ASP  69           H        ASP  69   1.094   5.870   7.674
  540    HA   ASP  69           HA       ASP  69   1.301   4.867   5.016
  541    HB2  ASP  69           1HB      ASP  69   3.045   4.125   7.390
  542    HB3  ASP  69           2HB      ASP  69   3.464   3.977   5.689
  543    H    ALA  70           H        ALA  70   0.747   2.944   4.223
  544    HA   ALA  70           HA       ALA  70  -0.748   1.141   5.855
  545    HB1  ALA  70           3HB      ALA  70  -1.656   0.857   3.849
  546    HB2  ALA  70           1HB      ALA  70  -0.232   1.497   3.026
  547    HB3  ALA  70           2HB      ALA  70  -0.288  -0.204   3.501
  548    H    PHE  71           H        PHE  71  -0.307  -0.920   6.496
  549    HA   PHE  71           HA       PHE  71   2.480  -1.825   6.169
  550    HB2  PHE  71           1HB      PHE  71   0.591  -2.162   8.499
  551    HB3  PHE  71           2HB      PHE  71   2.012  -3.177   8.292
  552    HD1  PHE  71           HD1      PHE  71   1.214   0.481   8.205
  553    HD2  PHE  71           HD2      PHE  71   3.809  -2.608   9.556
  554    HE1  PHE  71           HE1      PHE  71   2.575   2.150   9.392
  555    HE2  PHE  71           HE2      PHE  71   5.179  -0.945  10.743
  556    HZ   PHE  71           HZ       PHE  71   4.562   1.437  10.664
  557    H    TYR  72           H        TYR  72   2.794  -3.824   5.349
  558    HA   TYR  72           HA       TYR  72   0.625  -5.355   4.261
  559    HB2  TYR  72           1HB      TYR  72   3.451  -6.269   4.866
  560    HB3  TYR  72           2HB      TYR  72   2.290  -7.103   3.848
  561    HD1  TYR  72           HD1      TYR  72   1.596  -5.991   1.659
  562    HD2  TYR  72           HD2      TYR  72   4.904  -4.676   3.986
  563    HE1  TYR  72           HE1      TYR  72   2.548  -4.894  -0.325
  564    HE2  TYR  72           HE2      TYR  72   5.859  -3.566   2.016
  565    HH   TYR  72           HH       TYR  72   4.440  -3.924  -1.183
  566    H    CYS  73           H        CYS  73  -0.542  -6.939   5.274
  567    HA   CYS  73           HA       CYS  73  -0.185  -7.315   8.092
  568    HB2  CYS  73           1HB      CYS  73  -2.183  -8.509   8.080
  569    HB3  CYS  73           2HB      CYS  73  -2.405  -7.381   6.749
  570    H    TRP  74           H        TRP  74   0.223  -9.344   9.122
  571    HA   TRP  74           HA       TRP  74   2.553 -10.558   8.320
  572    HB2  TRP  74           1HB      TRP  74   1.718 -10.717  10.618
  573    HB3  TRP  74           2HB      TRP  74   0.405 -11.763  10.080
  574    HD1  TRP  74           HD1      TRP  74   4.282 -11.798  10.141
  575    HE1  TRP  74           HE1      TRP  74   5.063 -14.243  10.400
  576    HE3  TRP  74           HE3      TRP  74  -0.271 -14.107   9.998
  577    HZ2  TRP  74           HZ2      TRP  74   3.890 -16.804  10.511
  578    HZ3  TRP  74           HZ3      TRP  74  -0.353 -16.558  10.173
  579    HH2  TRP  74           HH2      TRP  74   1.684 -17.877  10.426
  580    H    GLU  75           H        GLU  75  -0.749 -11.672   7.719
  581    HA   GLU  75           HA       GLU  75  -0.110 -14.198   6.739
  582    HB2  GLU  75           1HB      GLU  75  -2.412 -12.447   5.857
  583    HB3  GLU  75           2HB      GLU  75  -2.301 -14.189   5.657
  584    HG2  GLU  75           1HG      GLU  75  -2.271 -14.435   8.111
  585    HG3  GLU  75           2HG      GLU  75  -2.491 -12.692   8.258
  586    H    CYS  76           H        CYS  76  -0.371 -11.100   5.067
  587    HA   CYS  76           HA       CYS  76   0.088 -12.154   2.476
  588    HB2  CYS  76           1HB      CYS  76   0.242  -9.373   3.610
  589    HB3  CYS  76           2HB      CYS  76   0.672  -9.715   1.937
  590    H    CYS  77           H        CYS  77   2.272 -10.834   4.964
  591    HA   CYS  77           HA       CYS  77   4.539 -10.933   3.204
  592    HB2  CYS  77           1HB      CYS  77   5.896 -10.402   5.118
  593    HB3  CYS  77           2HB      CYS  77   4.439  -9.419   5.179
  594    HG   CYS  77           HG       CYS  77   5.578 -11.695   7.340
  595    H    ARG  78           H        ARG  78   3.059 -13.110   5.503
  596    HA   ARG  78           HA       ARG  78   5.096 -15.066   5.599
  597    HB2  ARG  78           1HB      ARG  78   3.280 -15.047   7.217
  598    HB3  ARG  78           2HB      ARG  78   2.101 -15.319   5.943
  599    HG2  ARG  78           1HG      ARG  78   2.489 -17.358   7.167
  600    HG3  ARG  78           2HG      ARG  78   3.089 -17.523   5.516
  601    HD2  ARG  78           1HD      ARG  78   5.363 -17.058   6.312
  602    HD3  ARG  78           2HD      ARG  78   4.752 -16.929   7.961
  603    HE   ARG  78           HE       ARG  78   3.965 -19.407   6.959
  604   HH11  ARG  78          2HH1      ARG  78   6.917 -17.726   7.809
  605   HH12  ARG  78          1HH1      ARG  78   7.783 -19.183   8.186
  606   HH21  ARG  78          2HH2      ARG  78   5.088 -21.313   7.455
  607   HH22  ARG  78          1HH2      ARG  78   6.746 -21.238   7.986
  608    H    LEU  79           H        LEU  79   2.260 -14.682   3.516
  609    HA   LEU  79           HA       LEU  79   2.808 -17.021   1.972
  610    HB2  LEU  79           1HB      LEU  79   1.040 -14.654   1.345
  611    HB3  LEU  79           2HB      LEU  79   1.040 -16.183   0.485
  612    HG   LEU  79           HG       LEU  79   0.249 -15.775   3.372
  613   HD11  LEU  79          1HD1      LEU  79  -1.970 -16.076   2.715
  614   HD12  LEU  79          2HD1      LEU  79  -1.307 -14.980   1.502
  615   HD13  LEU  79          3HD1      LEU  79  -1.514 -16.692   1.129
  616   HD21  LEU  79          3HD2      LEU  79   0.622 -18.219   1.694
  617   HD22  LEU  79          1HD2      LEU  79   1.114 -17.919   3.361
  618   HD23  LEU  79          2HD2      LEU  79  -0.585 -18.197   2.979
  619    H    GLY  80           H        GLY  80   3.453 -13.576   1.595
  620    HA2  GLY  80           2HA      GLY  80   5.575 -12.977   0.575
  621    HA3  GLY  80           1HA      GLY  80   5.319 -14.273  -0.582
  622    H    LYS  81           H        LYS  81   2.754 -12.118   0.369
  623    HA   LYS  81           HA       LYS  81   2.499 -11.163  -2.351
  624    HB2  LYS  81           1HB      LYS  81   0.858 -10.809   0.147
  625    HB3  LYS  81           2HB      LYS  81   0.521  -9.905  -1.323
  626    HG2  LYS  81           1HG      LYS  81  -0.639 -11.605  -2.129
  627    HG3  LYS  81           2HG      LYS  81   0.771 -12.658  -1.992
  628    HD2  LYS  81           1HD      LYS  81   0.176 -13.329   0.194
  629    HD3  LYS  81           2HD      LYS  81  -1.026 -12.045   0.339
  630    HE2  LYS  81           1HE      LYS  81  -2.061 -14.240  -0.040
  631    HE3  LYS  81           2HE      LYS  81  -2.410 -13.108  -1.344
  632    HZ1  LYS  81           3HZ      LYS  81  -1.692 -15.526  -1.882
  633    HZ2  LYS  81           1HZ      LYS  81  -0.123 -14.949  -1.604
  634    HZ3  LYS  81           2HZ      LYS  81  -1.085 -14.245  -2.812
  635    H    ASP  82           H        ASP  82   3.762 -10.142   0.683
  636    HA   ASP  82           HA       ASP  82   3.724  -7.345   0.292
  637    HB2  ASP  82           1HB      ASP  82   5.234  -7.193   2.113
  638    HB3  ASP  82           2HB      ASP  82   4.195  -8.564   2.475
  639    H    LYS  83           H        LYS  83   5.851  -9.886  -0.777
  640    HA   LYS  83           HA       LYS  83   7.717  -7.964  -1.923
  641    HB2  LYS  83           1HB      LYS  83   9.041  -9.997  -2.523
  642    HB3  LYS  83           2HB      LYS  83   8.767  -9.795  -0.798
  643    HG2  LYS  83           1HG      LYS  83   7.039 -11.475  -0.833
  644    HG3  LYS  83           2HG      LYS  83   7.172 -11.617  -2.586
  645    HD2  LYS  83           1HD      LYS  83   9.484 -12.390  -2.337
  646    HD3  LYS  83           2HD      LYS  83   9.333 -12.267  -0.584
  647    HE2  LYS  83           1HE      LYS  83   9.033 -14.570  -1.340
  648    HE3  LYS  83           2HE      LYS  83   7.555 -13.941  -0.611
  649    HZ1  LYS  83           3HZ      LYS  83   7.130 -13.324  -3.160
  650    HZ2  LYS  83           1HZ      LYS  83   6.653 -14.802  -2.475
  651    HZ3  LYS  83           2HZ      LYS  83   8.089 -14.707  -3.368
  652    H    ASP  84           H        ASP  84   4.832  -8.950  -2.862
  653    HA   ASP  84           HA       ASP  84   5.355  -9.818  -5.552
  654    HB2  ASP  84           1HB      ASP  84   2.928  -9.039  -4.023
  655    HB3  ASP  84           2HB      ASP  84   2.861  -8.840  -5.770
  656    H    GLY  85           H        GLY  85   4.419  -6.720  -4.058
  657    HA2  GLY  85           2HA      GLY  85   6.176  -5.121  -5.272
  658    HA3  GLY  85           1HA      GLY  85   4.981  -5.313  -6.541
  659    H    CYS  86           H        CYS  86   4.327  -3.287  -6.628
  660    HA   CYS  86           HA       CYS  86   3.778  -1.565  -4.469
  661    HB2  CYS  86           1HB      CYS  86   4.401  -0.828  -6.708
  662    HB3  CYS  86           2HB      CYS  86   2.921  -1.507  -7.365
  663    HA   PRO  87           HA       PRO  87  -0.237  -3.275  -3.587
  664    HB2  PRO  87           1HB      PRO  87  -0.625  -2.126  -1.219
  665    HB3  PRO  87           2HB      PRO  87   0.663  -3.315  -1.458
  666    HG2  PRO  87           1HG      PRO  87   0.837  -0.328  -1.369
  667    HG3  PRO  87           2HG      PRO  87   1.906  -1.531  -0.627
  668    HD2  PRO  87           1HD      PRO  87   2.419  -0.245  -3.013
  669    HD3  PRO  87           2HD      PRO  87   3.116  -1.805  -2.540
  670    H    ARG  88           H        ARG  88  -0.077  -0.603  -5.187
  671    HA   ARG  88           HA       ARG  88  -2.416   0.797  -4.202
  672    HB2  ARG  88           1HB      ARG  88  -0.546   1.192  -6.477
  673    HB3  ARG  88           2HB      ARG  88  -2.179   1.819  -6.663
  674    HG2  ARG  88           1HG      ARG  88  -1.787   2.924  -4.377
  675    HG3  ARG  88           2HG      ARG  88  -0.081   2.587  -4.676
  676    HD2  ARG  88           1HD      ARG  88  -0.254   3.809  -6.816
  677    HD3  ARG  88           2HD      ARG  88  -1.927   4.205  -6.427
  678    HE   ARG  88           HE       ARG  88  -0.367   5.058  -4.295
  679   HH11  ARG  88          2HH1      ARG  88  -0.839   5.830  -7.683
  680   HH12  ARG  88          1HH1      ARG  88  -0.274   7.466  -7.506
  681   HH21  ARG  88          2HH2      ARG  88   0.355   7.221  -4.080
  682   HH22  ARG  88          1HH2      ARG  88   0.377   8.253  -5.475
  683    H    ILE  89           H        ILE  89  -4.468   0.729  -5.019
  684    HA   ILE  89           HA       ILE  89  -5.050  -1.464  -6.898
  685    HB   ILE  89           HB       ILE  89  -6.898   0.054  -5.044
  686   HG12  ILE  89          1HG1      ILE  89  -5.452  -1.624  -3.945
  687   HG13  ILE  89          2HG1      ILE  89  -7.150  -2.085  -3.893
  688   HG21  ILE  89          1HG2      ILE  89  -7.443  -1.805  -7.300
  689   HG22  ILE  89          2HG2      ILE  89  -8.459  -1.912  -5.860
  690   HG23  ILE  89          3HG2      ILE  89  -8.346  -0.394  -6.749
  691   HD11  ILE  89          3HD1      ILE  89  -6.843  -3.732  -5.560
  692   HD12  ILE  89          1HD1      ILE  89  -5.232  -3.135  -5.951
  693   HD13  ILE  89          2HD1      ILE  89  -5.527  -3.927  -4.403
  694    H    LEU  90           H        LEU  90  -4.830  -0.674  -8.903
  695    HA   LEU  90           HA       LEU  90  -6.364   1.740  -9.614
  696    HB2  LEU  90           1HB      LEU  90  -4.555   2.335 -11.188
  697    HB3  LEU  90           2HB      LEU  90  -4.049   2.381  -9.512
  698    HG   LEU  90           HG       LEU  90  -3.518  -0.091 -11.113
  699   HD11  LEU  90          1HD1      LEU  90  -2.765   2.069 -12.339
  700   HD12  LEU  90          2HD1      LEU  90  -1.553   2.165 -11.063
  701   HD13  LEU  90          3HD1      LEU  90  -1.606   0.756 -12.122
  702   HD21  LEU  90          3HD2      LEU  90  -2.839   0.993  -8.553
  703   HD22  LEU  90          1HD2      LEU  90  -2.548  -0.620  -9.203
  704   HD23  LEU  90          2HD2      LEU  90  -1.378   0.671  -9.488
  705    H    ASN  91           H        ASN  91  -5.854  -1.489 -10.162
  706    HA   ASN  91           HA       ASN  91  -6.558  -2.991 -11.696
  707    HB2  ASN  91           1HB      ASN  91  -7.919  -0.769 -13.224
  708    HB3  ASN  91           2HB      ASN  91  -8.232  -2.483 -13.336
  709   HD21  ASN  91          1HD2      ASN  91  -7.859  -1.969 -10.126
  710   HD22  ASN  91          2HD2      ASN  91  -9.502  -1.642  -9.686
  711    H    LEU  92           H        LEU  92  -6.869  -1.619 -14.615
  712    HA   LEU  92           HA       LEU  92  -4.085  -1.076 -15.087
  713    HB2  LEU  92           1HB      LEU  92  -3.808  -2.743 -16.867
  714    HB3  LEU  92           2HB      LEU  92  -4.008  -3.456 -15.289
  715    HG   LEU  92           HG       LEU  92  -5.116  -4.837 -16.880
  716   HD11  LEU  92          1HD1      LEU  92  -6.286  -4.273 -14.668
  717   HD12  LEU  92          2HD1      LEU  92  -7.434  -3.396 -15.677
  718   HD13  LEU  92          3HD1      LEU  92  -7.189  -5.127 -15.921
  719   HD21  LEU  92          3HD2      LEU  92  -6.260  -4.196 -18.669
  720   HD22  LEU  92          1HD2      LEU  92  -7.168  -2.973 -17.777
  721   HD23  LEU  92          2HD2      LEU  92  -5.545  -2.613 -18.366
  722    H    GLY  93           H        GLY  93  -3.692   0.211 -16.803
  723    HA2  GLY  93           2HA      GLY  93  -6.034   1.459 -18.000
  724    HA3  GLY  93           1HA      GLY  93  -4.371   2.014 -18.128
  725    H    SER  94           H        SER  94  -5.853  -1.092 -18.884
  726    HA   SER  94           HA       SER  94  -5.845  -2.413 -20.716
  727    HB2  SER  94           1HB      SER  94  -5.689   0.183 -22.274
  728    HB3  SER  94           2HB      SER  94  -6.265  -1.373 -22.873
  729    HG   SER  94           HG       SER  94  -7.471   0.368 -20.988
  730    H    ASN  95           H        ASN  95  -3.362  -2.097 -19.506
  731    HA   ASN  95           HA       ASN  95  -1.701  -3.057 -21.581
  732    HB2  ASN  95           1HB      ASN  95   0.066  -1.394 -21.600
  733    HB3  ASN  95           2HB      ASN  95  -1.454  -0.634 -22.052
  734   HD21  ASN  95          1HD2      ASN  95   1.237   0.055 -20.575
  735   HD22  ASN  95          2HD2      ASN  95   0.684   1.091 -19.302
  736    H    ARG  96           H        ARG  96  -1.486  -1.481 -18.407
  737    HA   ARG  96           HA       ARG  96  -0.564  -1.983 -16.453
  738    HB2  ARG  96           1HB      ARG  96  -0.813  -4.172 -15.520
  739    HB3  ARG  96           2HB      ARG  96  -2.236  -3.736 -16.443
  740    HG2  ARG  96           1HG      ARG  96  -2.010  -5.885 -17.086
  741    HG3  ARG  96           2HG      ARG  96  -1.006  -5.122 -18.318
  742    HD2  ARG  96           1HD      ARG  96   0.989  -5.634 -17.078
  743    HD3  ARG  96           2HD      ARG  96   0.039  -6.265 -15.734
  744    HE   ARG  96           HE       ARG  96  -0.617  -7.664 -18.096
  745   HH11  ARG  96          2HH1      ARG  96   2.015  -7.331 -15.795
  746   HH12  ARG  96          1HH1      ARG  96   2.613  -8.941 -16.067
  747   HH21  ARG  96          2HH2      ARG  96   0.161  -9.779 -18.438
  748   HH22  ARG  96          1HH2      ARG  96   1.520 -10.357 -17.509
  749    H    LEU  97           H        LEU  97   1.007  -3.859 -19.006
  750    HA   LEU  97           HA       LEU  97   3.393  -4.347 -17.532
  751    HB2  LEU  97           1HB      LEU  97   2.743  -4.320 -20.469
  752    HB3  LEU  97           2HB      LEU  97   4.374  -4.599 -19.893
  753    HG   LEU  97           HG       LEU  97   2.010  -6.298 -19.105
  754   HD11  LEU  97          1HD1      LEU  97   3.781  -7.745 -20.719
  755   HD12  LEU  97          2HD1      LEU  97   2.133  -7.248 -21.107
  756   HD13  LEU  97          3HD1      LEU  97   3.495  -6.220 -21.557
  757   HD21  LEU  97          3HD2      LEU  97   3.400  -7.371 -17.738
  758   HD22  LEU  97          1HD2      LEU  97   4.643  -7.488 -18.983
  759   HD23  LEU  97          2HD2      LEU  97   4.537  -6.045 -17.975
  760    H    ASP  98           H        ASP  98   5.076  -3.058 -17.130
  761    HA   ASP  98           HA       ASP  98   4.926  -0.283 -17.855
  762    HB2  ASP  98           1HB      ASP  98   6.918  -1.862 -16.236
  763    HB3  ASP  98           2HB      ASP  98   7.131  -0.149 -16.593
  764    H    ARG  99           H        ARG  99   5.200  -1.910 -20.114
  765    HA   ARG  99           HA       ARG  99   7.923  -1.592 -21.068
  766    HB2  ARG  99           1HB      ARG  99   5.405  -2.488 -22.496
  767    HB3  ARG  99           2HB      ARG  99   7.015  -2.474 -23.206
  768    HG2  ARG  99           1HG      ARG  99   7.778  -4.102 -21.586
  769    HG3  ARG  99           2HG      ARG  99   6.205  -4.075 -20.790
  770    HD2  ARG  99           1HD      ARG  99   5.169  -4.916 -22.858
  771    HD3  ARG  99           2HD      ARG  99   6.764  -4.986 -23.610
  772    HE   ARG  99           HE       ARG  99   6.897  -6.441 -21.242
  773   HH11  ARG  99          2HH1      ARG  99   5.253  -6.629 -24.332
  774   HH12  ARG  99          1HH1      ARG  99   5.092  -8.362 -24.288
  775   HH21  ARG  99          2HH2      ARG  99   6.726  -8.705 -21.189
  776   HH22  ARG  99          1HH2      ARG  99   5.938  -9.547 -22.496
  777    H    HIS 100           H        HIS 100   7.351   0.765 -20.272
  778    HA   HIS 100           HA       HIS 100   5.808   2.402 -22.013
  779    HB2  HIS 100           1HB      HIS 100   7.688   2.929 -19.742
  780    HB3  HIS 100           2HB      HIS 100   7.140   4.264 -20.747
  781    HD1  HIS 100           HD1      HIS 100   6.268   4.638 -18.023
  782    HD2  HIS 100           HD2      HIS 100   4.136   2.136 -20.572
  783    HE1  HIS 100           HE1      HIS 100   3.948   4.508 -17.064
  784    HE2  HIS 100           HE2      HIS 100   2.695   2.920 -18.567
  785    H    PHE 101           H        PHE 101   7.846   0.883 -23.367
  786    HA   PHE 101           HA       PHE 101   9.555   2.989 -24.492
  787    HB2  PHE 101           1HB      PHE 101   9.558   0.012 -25.074
  788    HB3  PHE 101           2HB      PHE 101  10.716   1.191 -25.676
  789    HD1  PHE 101           HD2      PHE 101   9.415  -0.230 -22.480
  790    HD2  PHE 101           HD1      PHE 101  12.698   1.512 -24.554
  791    HE1  PHE 101           HE2      PHE 101  10.864  -0.664 -20.543
  792    HE2  PHE 101           HE1      PHE 101  14.153   1.067 -22.623
  793    HZ   PHE 101           HZ       PHE 101  13.238  -0.017 -20.614
  794    H    GLU 102           H        GLU 102   7.054   3.508 -24.901
  795    HA   GLU 102           HA       GLU 102   5.632   2.112 -26.830
  796    HB2  GLU 102           1HB      GLU 102   5.425   5.055 -26.167
  797    HB3  GLU 102           2HB      GLU 102   4.188   4.080 -26.951
  798    HG2  GLU 102           1HG      GLU 102   3.943   2.739 -24.942
  799    HG3  GLU 102           2HG      GLU 102   5.215   3.668 -24.150
  800    H    LYS 103           H        LYS 103   7.682   4.977 -27.172
  801    HA   LYS 103           HA       LYS 103   7.243   5.121 -30.008
  802    HB2  LYS 103           1HB      LYS 103   9.346   6.539 -28.371
  803    HB3  LYS 103           2HB      LYS 103   8.773   6.986 -29.971
  804    HG2  LYS 103           1HG      LYS 103   6.524   7.386 -28.985
  805    HG3  LYS 103           2HG      LYS 103   7.227   7.092 -27.394
  806    HD2  LYS 103           1HD      LYS 103   8.850   8.933 -27.859
  807    HD3  LYS 103           2HD      LYS 103   7.945   9.284 -29.333
  808    HE2  LYS 103           1HE      LYS 103   7.189  10.778 -27.622
  809    HE3  LYS 103           2HE      LYS 103   5.912   9.601 -27.931
  810    HZ1  LYS 103           3HZ      LYS 103   6.595  10.183 -25.508
  811    HZ2  LYS 103           1HZ      LYS 103   7.857   9.083 -25.786
  812    HZ3  LYS 103           2HZ      LYS 103   6.242   8.576 -25.917
  813    H    LYS 104           H        LYS 104   8.294   4.094 -31.534
  814    HA   LYS 104           HA       LYS 104   9.785   2.821 -32.654
  815    HB2  LYS 104           1HB      LYS 104  11.710   4.400 -30.944
  816    HB3  LYS 104           2HB      LYS 104  12.166   3.461 -32.360
  817    HG2  LYS 104           1HG      LYS 104  10.818   4.879 -33.779
  818    HG3  LYS 104           2HG      LYS 104  10.238   5.775 -32.373
  819    HD2  LYS 104           1HD      LYS 104  12.534   6.500 -31.902
  820    HD3  LYS 104           2HD      LYS 104  13.098   5.623 -33.326
  821    HE2  LYS 104           1HE      LYS 104  12.840   7.994 -33.814
  822    HE3  LYS 104           2HE      LYS 104  11.696   7.033 -34.750
  823    HZ1  LYS 104           3HZ      LYS 104   9.960   7.613 -33.200
  824    HZ2  LYS 104           1HZ      LYS 104  10.677   9.024 -33.802
  825    HZ3  LYS 104           2HZ      LYS 104  11.049   8.483 -32.235
  826    H    LYS 105           H        LYS 105   8.653   1.341 -30.743
  827    HA   LYS 105           HA       LYS 105   8.803  -0.642 -29.666
  828    HB2  LYS 105           1HB      LYS 105  11.373  -0.760 -31.242
  829    HB3  LYS 105           2HB      LYS 105  10.676  -2.131 -30.388
  830    HG2  LYS 105           1HG      LYS 105   8.681  -1.993 -31.778
  831    HG3  LYS 105           2HG      LYS 105   9.359  -0.601 -32.625
  832    HD2  LYS 105           1HD      LYS 105  10.571  -3.365 -32.555
  833    HD3  LYS 105           2HD      LYS 105   9.631  -2.697 -33.891
  834    HE2  LYS 105           1HE      LYS 105  11.319  -0.853 -34.033
  835    HE3  LYS 105           2HE      LYS 105  12.292  -1.735 -32.853
  836    HZ1  LYS 105           3HZ      LYS 105  11.843  -3.646 -34.650
  837    HZ2  LYS 105           1HZ      LYS 105  13.187  -2.611 -34.705
  838    HZ3  LYS 105           2HZ      LYS 105  11.830  -2.287 -35.668
  839    H    LYS 106           H        LYS 106  10.600  -2.172 -28.486
  840    HA   LYS 106           HA       LYS 106  11.452  -0.569 -26.221
  841    HB2  LYS 106           1HB      LYS 106  11.300  -3.530 -26.744
  842    HB3  LYS 106           2HB      LYS 106  12.202  -2.905 -25.373
  843    HG2  LYS 106           1HG      LYS 106  10.066  -3.498 -24.570
  844    HG3  LYS 106           2HG      LYS 106  10.101  -1.738 -24.647
  845    HD2  LYS 106           1HD      LYS 106   7.985  -2.483 -25.486
  846    HD3  LYS 106           2HD      LYS 106   8.932  -1.884 -26.851
  847    HE2  LYS 106           1HE      LYS 106   9.548  -4.178 -27.428
  848    HE3  LYS 106           2HE      LYS 106   8.614  -4.779 -26.057
  849    HZ1  LYS 106           3HZ      LYS 106   6.648  -3.655 -27.134
  850    HZ2  LYS 106           1HZ      LYS 106   7.252  -5.020 -27.938
  851    HZ3  LYS 106           2HZ      LYS 106   7.605  -3.467 -28.520
  852    H    VAL 107           H        VAL 107  13.515  -0.046 -25.732
  853    HA   VAL 107           HA       VAL 107  15.687  -1.235 -27.296
  854    HB   VAL 107           HB       VAL 107  16.695   1.024 -27.616
  855   HG11  VAL 107          1HG1      VAL 107  15.875   0.607 -29.646
  856   HG12  VAL 107          2HG1      VAL 107  14.376  -0.053 -28.996
  857   HG13  VAL 107          3HG1      VAL 107  14.550   1.687 -29.213
  858   HG21  VAL 107          3HG2      VAL 107  13.969   2.114 -26.944
  859   HG22  VAL 107          1HG2      VAL 107  15.310   2.096 -25.799
  860   HG23  VAL 107          2HG2      VAL 107  15.445   3.014 -27.297
  Start of MODEL   15
    1    H1   GLY  -1           1H       GLY  -1  -3.190 -12.748 -22.217
    2    H2   GLY  -1           2H       GLY  -1  -3.011 -14.419 -21.993
    3    H3   GLY  -1           3H       GLY  -1  -1.861 -13.556 -22.892
    4    HA2  GLY  -1           1HA      GLY  -1  -1.156 -14.156 -20.591
    5    HA3  GLY  -1           2HA      GLY  -1  -1.038 -12.449 -21.002
    6    H    GLY   0           H        GLY   0  -1.251 -11.665 -18.920
    7    HA2  GLY   0           2HA      GLY   0  -2.411 -10.881 -17.096
    8    HA3  GLY   0           1HA      GLY   0  -3.887 -11.282 -17.963
    9    H    SER   1           H        SER   1  -5.134 -12.708 -17.016
   10    HA   SER   1           HA       SER   1  -4.064 -15.115 -15.875
   11    HB2  SER   1           1HB      SER   1  -3.913 -13.420 -13.989
   12    HB3  SER   1           2HB      SER   1  -5.669 -13.293 -14.054
   13    HG   SER   1           HG       SER   1  -4.046 -15.373 -13.130
   14    H    SER   2           H        SER   2  -6.639 -15.388 -14.323
   15    HA   SER   2           HA       SER   2  -8.710 -15.215 -16.332
   16    HB2  SER   2           1HB      SER   2  -7.810 -17.912 -15.272
   17    HB3  SER   2           2HB      SER   2  -9.224 -17.629 -16.286
   18    HG   SER   2           HG       SER   2  -7.187 -16.516 -17.521
   19    H    ARG   3           H        ARG   3 -10.835 -15.780 -15.404
   20    HA   ARG   3           HA       ARG   3 -11.060 -14.653 -12.848
   21    HB2  ARG   3           1HB      ARG   3 -13.465 -15.343 -12.965
   22    HB3  ARG   3           2HB      ARG   3 -12.893 -14.398 -14.330
   23    HG2  ARG   3           1HG      ARG   3 -12.649 -16.532 -15.604
   24    HG3  ARG   3           2HG      ARG   3 -13.429 -17.359 -14.252
   25    HD2  ARG   3           1HD      ARG   3 -15.393 -15.939 -14.506
   26    HD3  ARG   3           2HD      ARG   3 -14.616 -15.079 -15.831
   27    HE   ARG   3           HE       ARG   3 -15.177 -16.787 -17.236
   28   HH11  ARG   3          2HH1      ARG   3 -15.657 -17.843 -13.928
   29   HH12  ARG   3          1HH1      ARG   3 -16.336 -19.381 -14.382
   30   HH21  ARG   3          2HH2      ARG   3 -16.073 -18.786 -17.842
   31   HH22  ARG   3          1HH2      ARG   3 -16.544 -19.932 -16.617
   32    H    HIS   4           H        HIS   4 -10.230 -15.510 -11.186
   33    HA   HIS   4           HA       HIS   4 -11.200 -17.783  -9.850
   34    HB2  HIS   4           1HB      HIS   4  -9.074 -18.305 -11.753
   35    HB3  HIS   4           2HB      HIS   4  -8.510 -18.602 -10.110
   36    HD1  HIS   4           HD1      HIS   4 -10.719 -19.991  -8.744
   37    HD2  HIS   4           HD2      HIS   4  -9.889 -20.660 -12.767
   38    HE1  HIS   4           HE1      HIS   4 -11.706 -22.242  -9.280
   39    HE2  HIS   4           HE2      HIS   4 -10.992 -22.716 -11.648
   40    H    GLN   5           H        GLN   5  -8.526 -15.659 -10.520
   41    HA   GLN   5           HA       GLN   5  -7.585 -15.275  -7.853
   42    HB2  GLN   5           1HB      GLN   5  -6.309 -14.627  -9.905
   43    HB3  GLN   5           2HB      GLN   5  -7.532 -13.411 -10.238
   44    HG2  GLN   5           1HG      GLN   5  -5.548 -12.419  -9.284
   45    HG3  GLN   5           2HG      GLN   5  -6.946 -12.213  -8.229
   46   HE21  GLN   5          1HE2      GLN   5  -3.752 -12.951  -8.293
   47   HE22  GLN   5          2HE2      GLN   5  -3.621 -13.810  -6.794
   48    H    PHE   6           H        PHE   6  -7.996 -13.247  -6.619
   49    HA   PHE   6           HA       PHE   6 -10.796 -12.612  -6.538
   50    HB2  PHE   6           1HB      PHE   6  -8.566 -11.142  -5.126
   51    HB3  PHE   6           2HB      PHE   6 -10.268 -11.177  -4.690
   52    HD1  PHE   6           HD1      PHE   6 -11.246 -13.198  -3.683
   53    HD2  PHE   6           HD2      PHE   6  -7.076 -12.866  -4.462
   54    HE1  PHE   6           HE1      PHE   6 -10.810 -15.059  -2.134
   55    HE2  PHE   6           HE2      PHE   6  -6.634 -14.730  -2.919
   56    HZ   PHE   6           HZ       PHE   6  -8.504 -15.829  -1.752
   57    H    ASP   7           H        ASP   7  -9.765  -9.670  -5.905
   58    HA   ASP   7           HA       ASP   7  -9.653  -8.806  -8.712
   59    HB2  ASP   7           1HB      ASP   7 -11.503  -7.773  -6.572
   60    HB3  ASP   7           2HB      ASP   7 -11.140  -6.857  -8.032
   61    H    LEU   8           H        LEU   8  -7.463  -8.998  -6.908
   62    HA   LEU   8           HA       LEU   8  -6.881  -6.222  -6.286
   63    HB2  LEU   8           1HB      LEU   8  -4.568  -7.507  -5.752
   64    HB3  LEU   8           2HB      LEU   8  -5.862  -7.244  -4.605
   65    HG   LEU   8           HG       LEU   8  -4.893  -9.543  -4.624
   66   HD11  LEU   8          1HD1      LEU   8  -7.723  -8.875  -4.787
   67   HD12  LEU   8          2HD1      LEU   8  -7.328 -10.588  -4.946
   68   HD13  LEU   8          3HD1      LEU   8  -6.814  -9.693  -3.514
   69   HD21  LEU   8          3HD2      LEU   8  -6.359 -10.715  -6.703
   70   HD22  LEU   8          1HD2      LEU   8  -5.433  -9.384  -7.402
   71   HD23  LEU   8          2HD2      LEU   8  -4.607 -10.655  -6.500
   72    H    ILE   9           H        ILE   9  -7.274  -6.182  -8.805
   73    HA   ILE   9           HA       ILE   9  -4.889  -6.693 -10.354
   74    HB   ILE   9           HB       ILE   9  -7.550  -5.426 -11.000
   75   HG12  ILE   9          1HG1      ILE   9  -7.662  -7.227 -12.680
   76   HG13  ILE   9          2HG1      ILE   9  -6.067  -7.785 -12.189
   77   HG21  ILE   9          1HG2      ILE   9  -6.679  -4.191 -12.615
   78   HG22  ILE   9          2HG2      ILE   9  -5.060  -4.763 -12.220
   79   HG23  ILE   9          3HG2      ILE   9  -6.052  -5.653 -13.375
   80   HD11  ILE   9          3HD1      ILE   9  -8.662  -7.971 -10.719
   81   HD12  ILE   9          1HD1      ILE   9  -7.514  -9.246 -11.132
   82   HD13  ILE   9          2HD1      ILE   9  -7.119  -8.080  -9.867
   83    H    MET  10           H        MET  10  -3.535  -5.606  -8.991
   84    HA   MET  10           HA       MET  10  -3.894  -2.724  -8.714
   85    HB2  MET  10           1HB      MET  10  -2.292  -2.974  -6.805
   86    HB3  MET  10           2HB      MET  10  -3.793  -3.861  -6.615
   87    HG2  MET  10           1HG      MET  10  -2.173  -5.720  -7.770
   88    HG3  MET  10           2HG      MET  10  -1.049  -4.799  -6.784
   89    HE1  MET  10           3HE      MET  10  -2.862  -3.725  -4.681
   90    HE2  MET  10           1HE      MET  10  -3.375  -4.888  -3.457
   91    HE3  MET  10           2HE      MET  10  -1.658  -4.615  -3.750
   92    H    CYS  11           H        CYS  11  -1.850  -1.478  -8.397
   93    HA   CYS  11           HA       CYS  11  -0.571  -1.214 -10.800
   94    HB2  CYS  11           1HB      CYS  11  -0.736   0.412  -8.827
   95    HB3  CYS  11           2HB      CYS  11   0.679  -0.402  -8.178
   96    H    LEU  12           H        LEU  12   0.783  -2.653  -7.857
   97    HA   LEU  12           HA       LEU  12   2.674  -3.862  -7.487
   98    HB2  LEU  12           1HB      LEU  12   0.635  -5.179  -8.945
   99    HB3  LEU  12           2HB      LEU  12   2.185  -5.860  -9.414
  100    HG   LEU  12           HG       LEU  12   2.705  -6.403  -7.148
  101   HD11  LEU  12          1HD1      LEU  12   0.889  -4.353  -6.520
  102   HD12  LEU  12          2HD1      LEU  12   0.297  -5.842  -5.776
  103   HD13  LEU  12          3HD1      LEU  12   1.929  -5.270  -5.434
  104   HD21  LEU  12          3HD2      LEU  12  -0.152  -7.173  -7.646
  105   HD22  LEU  12          1HD2      LEU  12   1.234  -7.929  -8.434
  106   HD23  LEU  12          2HD2      LEU  12   1.039  -8.051  -6.685
  107    H    LYS  13           H        LYS  13   3.704  -1.885  -8.944
  108    HA   LYS  13           HA       LYS  13   5.430  -3.168 -10.937
  109    HB2  LYS  13           1HB      LYS  13   5.380  -0.292 -10.027
  110    HB3  LYS  13           2HB      LYS  13   6.362  -0.949 -11.325
  111    HG2  LYS  13           1HG      LYS  13   4.282  -1.522 -12.535
  112    HG3  LYS  13           2HG      LYS  13   3.374  -0.684 -11.273
  113    HD2  LYS  13           1HD      LYS  13   4.896   1.298 -11.736
  114    HD3  LYS  13           2HD      LYS  13   5.345   0.444 -13.215
  115    HE2  LYS  13           1HE      LYS  13   2.535   1.144 -12.418
  116    HE3  LYS  13           2HE      LYS  13   3.541   2.067 -13.517
  117    HZ1  LYS  13           3HZ      LYS  13   2.350  -0.589 -13.908
  118    HZ2  LYS  13           1HZ      LYS  13   3.730  -0.142 -14.788
  119    HZ3  LYS  13           2HZ      LYS  13   2.300   0.756 -14.931
  120    H    GLN  14           H        GLN  14   7.585  -1.273 -10.213
  121    HA   GLN  14           HA       GLN  14   8.635  -2.836  -7.950
  122    HB2  GLN  14           1HB      GLN  14   9.961  -2.904  -9.997
  123    HB3  GLN  14           2HB      GLN  14  10.053  -1.148 -10.017
  124    HG2  GLN  14           1HG      GLN  14  12.108  -1.986  -9.205
  125    HG3  GLN  14           2HG      GLN  14  11.250  -1.244  -7.859
  126   HE21  GLN  14          1HE2      GLN  14   9.894  -4.210  -8.734
  127   HE22  GLN  14          2HE2      GLN  14  10.629  -5.180  -7.500
  128    HA   PRO  15           HA       PRO  15   7.768   0.629  -5.294
  129    HB2  PRO  15           1HB      PRO  15   9.953  -0.652  -3.722
  130    HB3  PRO  15           2HB      PRO  15   8.345  -0.136  -3.200
  131    HG2  PRO  15           1HG      PRO  15   8.856  -2.709  -3.590
  132    HG3  PRO  15           2HG      PRO  15   7.308  -2.011  -4.105
  133    HD2  PRO  15           1HD      PRO  15   9.688  -2.762  -5.746
  134    HD3  PRO  15           2HD      PRO  15   7.961  -2.916  -6.128
  135    H    GLY  16           H        GLY  16   8.541   2.632  -5.263
  136    HA2  GLY  16           2HA      GLY  16  11.131   3.156  -6.442
  137    HA3  GLY  16           1HA      GLY  16   9.930   4.351  -5.970
  138    H    VAL  17           H        VAL  17   9.587   4.340  -3.450
  139    HA   VAL  17           HA       VAL  17  11.664   3.601  -1.757
  140    HB   VAL  17           HB       VAL  17  13.066   5.193  -2.927
  141   HG11  VAL  17          1HG1      VAL  17  10.916   7.197  -2.288
  142   HG12  VAL  17          2HG1      VAL  17  12.548   7.646  -2.782
  143   HG13  VAL  17          3HG1      VAL  17  11.520   6.720  -3.875
  144   HG21  VAL  17          3HG2      VAL  17  12.916   6.892  -0.656
  145   HG22  VAL  17          1HG2      VAL  17  12.544   5.247  -0.141
  146   HG23  VAL  17          2HG2      VAL  17  14.056   5.587  -0.985
  147    H    GLN  18           H        GLN  18   9.272   6.188  -2.333
  148    HA   GLN  18           HA       GLN  18   8.869   6.672   0.417
  149    HB2  GLN  18           1HB      GLN  18   6.979   8.035  -0.230
  150    HB3  GLN  18           2HB      GLN  18   8.368   8.367  -1.251
  151    HG2  GLN  18           1HG      GLN  18   7.409   7.248  -3.077
  152    HG3  GLN  18           2HG      GLN  18   6.134   6.551  -2.071
  153   HE21  GLN  18          1HE2      GLN  18   7.359   9.466  -3.522
  154   HE22  GLN  18          2HE2      GLN  18   5.898  10.379  -3.392
  155    H    THR  19           H        THR  19   7.214   6.145   1.787
  156    HA   THR  19           HA       THR  19   6.165   3.495   1.433
  157    HB   THR  19           HB       THR  19   5.700   5.446   3.700
  158    HG1  THR  19           HG1      THR  19   7.975   4.837   3.170
  159   HG21  THR  19          1HG2      THR  19   4.200   3.394   3.474
  160   HG22  THR  19          2HG2      THR  19   5.045   3.601   5.008
  161   HG23  THR  19          3HG2      THR  19   5.643   2.441   3.822
  162    H    GLY  20           H        GLY  20   4.065   2.888   1.132
  163    HA2  GLY  20           2HA      GLY  20   2.330   4.769  -0.146
  164    HA3  GLY  20           1HA      GLY  20   1.970   3.085   0.192
  165    H    LEU  21           H        LEU  21   0.744   5.948   0.667
  166    HA   LEU  21           HA       LEU  21   0.130   5.636   3.507
  167    HB2  LEU  21           1HB      LEU  21  -0.325   7.935   1.616
  168    HB3  LEU  21           2HB      LEU  21  -0.862   7.915   3.284
  169    HG   LEU  21           HG       LEU  21   2.019   7.751   2.384
  170   HD11  LEU  21          1HD1      LEU  21   0.267  10.007   3.236
  171   HD12  LEU  21          2HD1      LEU  21   1.988  10.038   3.620
  172   HD13  LEU  21          3HD1      LEU  21   1.462   9.935   1.940
  173   HD21  LEU  21          3HD2      LEU  21   1.256   6.663   4.613
  174   HD22  LEU  21          1HD2      LEU  21   2.654   7.736   4.610
  175   HD23  LEU  21          2HD2      LEU  21   1.092   8.329   5.168
  176    H    LEU  22           H        LEU  22  -1.882   5.409   4.299
  177    HA   LEU  22           HA       LEU  22  -4.025   4.757   2.386
  178    HB2  LEU  22           1HB      LEU  22  -3.715   3.995   5.294
  179    HB3  LEU  22           2HB      LEU  22  -5.058   3.535   4.267
  180    HG   LEU  22           HG       LEU  22  -2.194   2.648   4.005
  181   HD11  LEU  22          1HD1      LEU  22  -4.718   1.388   4.988
  182   HD12  LEU  22          2HD1      LEU  22  -3.454   0.391   4.270
  183   HD13  LEU  22          3HD1      LEU  22  -3.103   1.366   5.698
  184   HD21  LEU  22          3HD2      LEU  22  -4.519   1.766   2.322
  185   HD22  LEU  22          1HD2      LEU  22  -3.412   3.047   1.829
  186   HD23  LEU  22          2HD2      LEU  22  -2.809   1.410   2.091
  187    H    CYS  23           H        CYS  23  -5.876   5.908   2.436
  188    HA   CYS  23           HA       CYS  23  -6.074   8.244   4.105
  189    HB2  CYS  23           1HB      CYS  23  -7.992   8.807   2.891
  190    HB3  CYS  23           2HB      CYS  23  -7.037   7.933   1.703
  191    H    GLU  24           H        GLU  24  -7.681   8.531   5.755
  192    HA   GLU  24           HA       GLU  24  -7.744   6.548   7.644
  193    HB2  GLU  24           1HB      GLU  24  -9.899   8.635   7.301
  194    HB3  GLU  24           2HB      GLU  24  -9.470   7.804   8.789
  195    HG2  GLU  24           1HG      GLU  24  -7.241   8.850   8.693
  196    HG3  GLU  24           2HG      GLU  24  -7.750   9.744   7.261
  197    H    LYS  25           H        LYS  25  -9.933   6.999   5.000
  198    HA   LYS  25           HA       LYS  25 -12.017   5.323   5.898
  199    HB2  LYS  25           1HB      LYS  25 -11.288   6.101   3.076
  200    HB3  LYS  25           2HB      LYS  25 -12.858   5.525   3.633
  201    HG2  LYS  25           1HG      LYS  25 -13.262   7.487   4.862
  202    HG3  LYS  25           2HG      LYS  25 -11.580   8.000   4.747
  203    HD2  LYS  25           1HD      LYS  25 -11.862   8.287   2.319
  204    HD3  LYS  25           2HD      LYS  25 -13.563   7.843   2.482
  205    HE2  LYS  25           1HE      LYS  25 -12.235  10.183   3.844
  206    HE3  LYS  25           2HE      LYS  25 -13.218  10.284   2.386
  207    HZ1  LYS  25           3HZ      LYS  25 -14.194   9.273   5.006
  208    HZ2  LYS  25           1HZ      LYS  25 -15.120   9.528   3.606
  209    HZ3  LYS  25           2HZ      LYS  25 -14.441  10.846   4.424
  210    H    CYS  26           H        CYS  26  -8.943   4.591   4.469
  211    HA   CYS  26           HA       CYS  26  -9.809   1.781   4.134
  212    HB2  CYS  26           1HB      CYS  26  -7.426   3.045   2.762
  213    HB3  CYS  26           2HB      CYS  26  -8.092   1.445   2.479
  214    H    ASP  27           H        ASP  27  -8.311   3.856   6.075
  215    HA   ASP  27           HA       ASP  27  -5.775   2.983   6.573
  216    HB2  ASP  27           1HB      ASP  27  -6.763   5.021   7.534
  217    HB3  ASP  27           2HB      ASP  27  -7.754   4.036   8.603
  218    H    GLY  28           H        GLY  28  -4.811   1.423   7.681
  219    HA2  GLY  28           2HA      GLY  28  -4.587  -0.197   9.356
  220    HA3  GLY  28           1HA      GLY  28  -6.333  -0.212   9.544
  221    H    LYS  29           H        LYS  29  -6.703  -0.519   6.603
  222    HA   LYS  29           HA       LYS  29  -6.716  -3.377   6.638
  223    HB2  LYS  29           1HB      LYS  29  -7.317  -1.499   4.350
  224    HB3  LYS  29           2HB      LYS  29  -7.693  -3.214   4.402
  225    HG2  LYS  29           1HG      LYS  29  -9.125  -2.707   6.418
  226    HG3  LYS  29           2HG      LYS  29  -8.912  -1.000   6.020
  227    HD2  LYS  29           1HD      LYS  29 -10.083  -3.116   4.222
  228    HD3  LYS  29           2HD      LYS  29 -10.981  -1.857   5.071
  229    HE2  LYS  29           1HE      LYS  29 -10.077  -0.156   3.745
  230    HE3  LYS  29           2HE      LYS  29  -8.769  -1.186   3.159
  231    HZ1  LYS  29           3HZ      LYS  29 -10.249  -2.399   1.819
  232    HZ2  LYS  29           1HZ      LYS  29 -10.632  -0.766   1.556
  233    HZ3  LYS  29           2HZ      LYS  29 -11.620  -1.712   2.556
  234    H    CYS  30           H        CYS  30  -5.252  -4.733   5.898
  235    HA   CYS  30           HA       CYS  30  -2.817  -3.918   4.637
  236    HB2  CYS  30           1HB      CYS  30  -2.668  -5.896   5.892
  237    HB3  CYS  30           2HB      CYS  30  -4.174  -6.528   5.244
  238    HA   PRO  31           HA       PRO  31  -4.866  -3.118   0.759
  239    HB2  PRO  31           1HB      PRO  31  -2.482  -3.101  -0.713
  240    HB3  PRO  31           2HB      PRO  31  -3.258  -1.708   0.044
  241    HG2  PRO  31           1HG      PRO  31  -1.002  -3.391   1.028
  242    HG3  PRO  31           2HG      PRO  31  -1.274  -1.649   1.217
  243    HD2  PRO  31           1HD      PRO  31  -1.687  -3.343   3.242
  244    HD3  PRO  31           2HD      PRO  31  -2.758  -1.949   2.979
  245    H    ILE  32           H        ILE  32  -2.551  -5.696   1.193
  246    HA   ILE  32           HA       ILE  32  -2.890  -6.997  -1.270
  247    HB   ILE  32           HB       ILE  32  -2.194  -8.275   1.376
  248   HG12  ILE  32          1HG1      ILE  32  -0.780  -6.248   0.615
  249   HG13  ILE  32          2HG1      ILE  32   0.063  -7.733   1.038
  250   HG21  ILE  32          1HG2      ILE  32  -2.355  -9.239  -1.361
  251   HG22  ILE  32          2HG2      ILE  32  -0.787  -9.543  -0.614
  252   HG23  ILE  32          3HG2      ILE  32  -2.259 -10.135   0.154
  253   HD11  ILE  32          3HD1      ILE  32   0.690  -8.153  -1.115
  254   HD12  ILE  32          1HD1      ILE  32  -0.674  -7.269  -1.803
  255   HD13  ILE  32          2HD1      ILE  32   0.689  -6.388  -1.111
  256    H    CYS  33           H        CYS  33  -4.604  -7.405   1.837
  257    HA   CYS  33           HA       CYS  33  -6.424  -9.260   0.444
  258    HB2  CYS  33           1HB      CYS  33  -6.522 -10.616   2.458
  259    HB3  CYS  33           2HB      CYS  33  -4.855 -10.437   1.919
  260    H    ASP  34           H        ASP  34  -6.272  -6.419   2.281
  261    HA   ASP  34           HA       ASP  34  -7.843  -5.041   3.162
  262    HB2  ASP  34           1HB      ASP  34  -9.614  -6.865   1.573
  263    HB3  ASP  34           2HB      ASP  34 -10.332  -5.704   2.682
  264    H    SER  35           H        SER  35  -6.744  -6.430   4.981
  265    HA   SER  35           HA       SER  35  -8.848  -7.146   6.844
  266    HB2  SER  35           1HB      SER  35  -8.436  -9.262   5.705
  267    HB3  SER  35           2HB      SER  35  -6.703  -9.101   5.969
  268    HG   SER  35           HG       SER  35  -7.525 -10.474   7.514
  269    H    TYR  36           H        TYR  36  -8.272  -6.854   8.957
  270    HA   TYR  36           HA       TYR  36  -5.765  -5.433   9.423
  271    HB2  TYR  36           1HB      TYR  36  -8.151  -5.922  11.219
  272    HB3  TYR  36           2HB      TYR  36  -6.752  -4.958  11.662
  273    HD1  TYR  36           HD1      TYR  36  -9.212  -5.114   8.831
  274    HD2  TYR  36           HD2      TYR  36  -7.040  -2.700  11.574
  275    HE1  TYR  36           HE1      TYR  36 -10.317  -3.111   7.935
  276    HE2  TYR  36           HE2      TYR  36  -8.138  -0.691  10.687
  277    HH   TYR  36           HH       TYR  36  -9.252   0.020   8.571
  278    H    VAL  37           H        VAL  37  -5.579  -8.310   8.998
  279    HA   VAL  37           HA       VAL  37  -5.364  -9.485  11.607
  280    HB   VAL  37           HB       VAL  37  -6.154 -10.867   9.796
  281   HG11  VAL  37          1HG1      VAL  37  -4.255 -11.679   8.179
  282   HG12  VAL  37          2HG1      VAL  37  -5.206 -10.233   7.830
  283   HG13  VAL  37          3HG1      VAL  37  -3.594 -10.081   8.531
  284   HG21  VAL  37          3HG2      VAL  37  -5.353 -12.431  11.176
  285   HG22  VAL  37          1HG2      VAL  37  -4.038 -12.599  10.014
  286   HG23  VAL  37          2HG2      VAL  37  -3.839 -11.561  11.429
  287    H    ARG  38           H        ARG  38  -3.884  -7.970  12.444
  288    HA   ARG  38           HA       ARG  38  -1.875  -7.377  13.299
  289    HB2  ARG  38           1HB      ARG  38  -1.125 -10.111  12.267
  290    HB3  ARG  38           2HB      ARG  38  -0.104  -9.140  13.319
  291    HG2  ARG  38           1HG      ARG  38  -1.753  -9.226  15.074
  292    HG3  ARG  38           2HG      ARG  38  -2.880 -10.076  14.013
  293    HD2  ARG  38           1HD      ARG  38  -1.760 -11.610  15.561
  294    HD3  ARG  38           2HD      ARG  38  -1.368 -11.971  13.882
  295    HE   ARG  38           HE       ARG  38   0.825 -11.585  14.368
  296   HH11  ARG  38          2HH1      ARG  38  -1.105  -9.987  16.834
  297   HH12  ARG  38          1HH1      ARG  38   0.276  -9.497  17.761
  298   HH21  ARG  38          2HH2      ARG  38   2.618 -10.903  15.565
  299   HH22  ARG  38          1HH2      ARG  38   2.393  -9.993  17.035
  300    HA   PRO  39           HA       PRO  39  -0.070  -5.681   9.412
  301    HB2  PRO  39           1HB      PRO  39   0.679  -3.368  10.621
  302    HB3  PRO  39           2HB      PRO  39  -0.923  -3.609   9.912
  303    HG2  PRO  39           1HG      PRO  39  -0.072  -3.810  12.778
  304    HG3  PRO  39           2HG      PRO  39  -1.528  -3.063  12.095
  305    HD2  PRO  39           1HD      PRO  39  -1.570  -5.511  13.225
  306    HD3  PRO  39           2HD      PRO  39  -2.603  -5.095  11.841
  307    H    LYS  40           H        LYS  40   2.111  -5.647   8.901
  308    HA   LYS  40           HA       LYS  40   3.946  -6.186  11.142
  309    HB2  LYS  40           1HB      LYS  40   3.168  -8.238   9.963
  310    HB3  LYS  40           2HB      LYS  40   3.917  -7.631   8.494
  311    HG2  LYS  40           1HG      LYS  40   6.102  -7.710   9.550
  312    HG3  LYS  40           2HG      LYS  40   5.366  -8.254  11.061
  313    HD2  LYS  40           1HD      LYS  40   4.526 -10.261   9.883
  314    HD3  LYS  40           2HD      LYS  40   5.360  -9.723   8.424
  315    HE2  LYS  40           1HE      LYS  40   6.683 -10.327  11.064
  316    HE3  LYS  40           2HE      LYS  40   6.630 -11.423   9.685
  317    HZ1  LYS  40           3HZ      LYS  40   7.792  -8.705   9.469
  318    HZ2  LYS  40           1HZ      LYS  40   8.016 -10.038   8.442
  319    HZ3  LYS  40           2HZ      LYS  40   8.709 -10.033   9.988
  320    H    ARG  41           H        ARG  41   3.923  -5.383   7.644
  321    HA   ARG  41           HA       ARG  41   6.404  -3.850   8.117
  322    HB2  ARG  41           1HB      ARG  41   6.775  -6.086   7.060
  323    HB3  ARG  41           2HB      ARG  41   5.797  -5.555   5.699
  324    HG2  ARG  41           1HG      ARG  41   7.449  -3.665   5.415
  325    HG3  ARG  41           2HG      ARG  41   8.470  -4.511   6.582
  326    HD2  ARG  41           1HD      ARG  41   7.509  -5.532   3.916
  327    HD3  ARG  41           2HD      ARG  41   9.164  -5.122   4.366
  328    HE   ARG  41           HE       ARG  41   8.453  -7.050   6.154
  329   HH11  ARG  41          2HH1      ARG  41   8.567  -6.833   2.663
  330   HH12  ARG  41          1HH1      ARG  41   8.756  -8.551   2.444
  331   HH21  ARG  41          2HH2      ARG  41   8.749  -9.293   5.866
  332   HH22  ARG  41          1HH2      ARG  41   8.883  -9.938   4.257
  333    H    LYS  42           H        LYS  42   6.657  -1.938   7.022
  334    HA   LYS  42           HA       LYS  42   4.342  -0.648   5.986
  335    HB2  LYS  42           1HB      LYS  42   7.249   0.089   6.094
  336    HB3  LYS  42           2HB      LYS  42   6.105   1.082   5.203
  337    HG2  LYS  42           1HG      LYS  42   4.760   1.141   7.379
  338    HG3  LYS  42           2HG      LYS  42   6.235   0.545   8.144
  339    HD2  LYS  42           1HD      LYS  42   7.464   2.464   7.441
  340    HD3  LYS  42           2HD      LYS  42   6.141   3.006   6.406
  341    HE2  LYS  42           1HE      LYS  42   4.744   3.187   8.496
  342    HE3  LYS  42           2HE      LYS  42   6.229   2.932   9.413
  343    HZ1  LYS  42           3HZ      LYS  42   5.499   5.214   7.680
  344    HZ2  LYS  42           1HZ      LYS  42   7.123   4.889   8.060
  345    HZ3  LYS  42           2HZ      LYS  42   6.014   5.227   9.299
  346    H    VAL  43           H        VAL  43   3.638  -0.303   4.022
  347    HA   VAL  43           HA       VAL  43   4.759  -1.849   1.851
  348    HB   VAL  43           HB       VAL  43   2.322  -0.063   1.945
  349   HG11  VAL  43          1HG1      VAL  43   2.153  -0.374  -0.224
  350   HG12  VAL  43          2HG1      VAL  43   3.697  -1.225  -0.208
  351   HG13  VAL  43          3HG1      VAL  43   2.197  -2.123   0.002
  352   HG21  VAL  43          3HG2      VAL  43   2.672  -3.012   2.409
  353   HG22  VAL  43          1HG2      VAL  43   1.907  -1.820   3.457
  354   HG23  VAL  43          2HG2      VAL  43   1.123  -2.305   1.952
  355    H    ARG  44           H        ARG  44   5.892  -1.022   0.154
  356    HA   ARG  44           HA       ARG  44   6.243   1.905   0.062
  357    HB2  ARG  44           1HB      ARG  44   8.098  -0.269  -0.930
  358    HB3  ARG  44           2HB      ARG  44   8.402   1.460  -1.038
  359    HG2  ARG  44           1HG      ARG  44   8.741   1.678   1.247
  360    HG3  ARG  44           2HG      ARG  44   7.877   0.186   1.615
  361    HD2  ARG  44           1HD      ARG  44  10.156  -0.286   1.961
  362    HD3  ARG  44           2HD      ARG  44   9.735  -1.037   0.426
  363    HE   ARG  44           HE       ARG  44  11.209   0.345  -0.628
  364   HH11  ARG  44          2HH1      ARG  44  10.567   1.651   2.577
  365   HH12  ARG  44          1HH1      ARG  44  11.852   2.819   2.483
  366   HH21  ARG  44          2HH2      ARG  44  12.871   1.913  -0.742
  367   HH22  ARG  44          1HH2      ARG  44  13.148   2.966   0.619
  368    H    VAL  45           H        VAL  45   5.534   2.968  -1.679
  369    HA   VAL  45           HA       VAL  45   4.110   1.525  -3.715
  370    HB   VAL  45           HB       VAL  45   3.617   3.753  -4.686
  371   HG11  VAL  45          1HG1      VAL  45   1.875   3.787  -3.330
  372   HG12  VAL  45          2HG1      VAL  45   2.719   2.655  -2.272
  373   HG13  VAL  45          3HG1      VAL  45   2.867   4.393  -2.003
  374   HG21  VAL  45          3HG2      VAL  45   4.268   5.604  -2.819
  375   HG22  VAL  45          1HG2      VAL  45   5.694   4.569  -2.772
  376   HG23  VAL  45          2HG2      VAL  45   5.193   5.311  -4.292
  377    H    CYS  46           H        CYS  46   4.439   1.737  -5.983
  378    HA   CYS  46           HA       CYS  46   7.092   1.199  -6.716
  379    HB2  CYS  46           1HB      CYS  46   6.305   0.713  -8.841
  380    HB3  CYS  46           2HB      CYS  46   4.889   0.428  -7.837
  381    H    GLU  47           H        GLU  47   8.231   2.214  -8.495
  382    HA   GLU  47           HA       GLU  47   9.112   4.742  -7.848
  383    HB2  GLU  47           1HB      GLU  47  10.231   2.934  -9.226
  384    HB3  GLU  47           2HB      GLU  47   9.267   3.481 -10.588
  385    HG2  GLU  47           1HG      GLU  47  10.302   5.714 -10.361
  386    HG3  GLU  47           2HG      GLU  47  11.339   5.061  -9.092
  387    H    ASN  48           H        ASN  48   6.994   3.805 -10.547
  388    HA   ASN  48           HA       ASN  48   6.639   6.291 -11.696
  389    HB2  ASN  48           1HB      ASN  48   5.342   3.703 -11.827
  390    HB3  ASN  48           2HB      ASN  48   4.189   5.014 -12.043
  391   HD21  ASN  48          1HD2      ASN  48   6.358   3.034 -13.559
  392   HD22  ASN  48          2HD2      ASN  48   6.578   3.926 -15.025
  393    H    CYS  49           H        CYS  49   4.680   4.819  -9.125
  394    HA   CYS  49           HA       CYS  49   2.824   6.958  -9.048
  395    HB2  CYS  49           1HB      CYS  49   3.413   4.756  -7.079
  396    HB3  CYS  49           2HB      CYS  49   2.135   5.943  -6.836
  397    H    SER  50           H        SER  50   5.953   6.559  -7.597
  398    HA   SER  50           HA       SER  50   5.406   8.375  -5.449
  399    HB2  SER  50           1HB      SER  50   7.829   8.187  -4.937
  400    HB3  SER  50           2HB      SER  50   7.040   6.620  -5.083
  401    HG   SER  50           HG       SER  50   7.833   6.865  -7.424
  402    H    PHE  51           H        PHE  51   6.978   8.606  -8.612
  403    HA   PHE  51           HA       PHE  51   7.519  11.416  -8.076
  404    HB2  PHE  51           1HB      PHE  51   8.847  11.392 -10.135
  405    HB3  PHE  51           2HB      PHE  51   9.378  10.181  -8.993
  406    HD1  PHE  51           HD1      PHE  51   6.912  10.356 -11.817
  407    HD2  PHE  51           HD2      PHE  51  10.099   8.257  -9.943
  408    HE1  PHE  51           HE1      PHE  51   6.835   8.661 -13.593
  409    HE2  PHE  51           HE2      PHE  51  10.028   6.560 -11.719
  410    HZ   PHE  51           HZ       PHE  51   8.394   6.761 -13.545
  411    H    GLY  52           H        GLY  52   5.346   9.448  -9.915
  412    HA2  GLY  52           2HA      GLY  52   4.663  11.514 -11.786
  413    HA3  GLY  52           1HA      GLY  52   3.887   9.948 -11.631
  414    H    LYS  53           H        LYS  53   4.250  12.750  -9.479
  415    HA   LYS  53           HA       LYS  53   2.819  13.886  -8.155
  416    HB2  LYS  53           1HB      LYS  53   0.969  14.932  -9.188
  417    HB3  LYS  53           2HB      LYS  53   2.174  14.717 -10.443
  418    HG2  LYS  53           1HG      LYS  53   0.936  12.806 -11.313
  419    HG3  LYS  53           2HG      LYS  53  -0.263  12.995 -10.032
  420    HD2  LYS  53           1HD      LYS  53  -0.816  15.224 -10.886
  421    HD3  LYS  53           2HD      LYS  53   0.382  15.028 -12.168
  422    HE2  LYS  53           1HE      LYS  53  -0.859  13.121 -13.043
  423    HE3  LYS  53           2HE      LYS  53  -2.045  13.286 -11.749
  424    HZ1  LYS  53           3HZ      LYS  53  -2.099  14.500 -14.227
  425    HZ2  LYS  53           1HZ      LYS  53  -1.720  15.744 -13.138
  426    HZ3  LYS  53           2HZ      LYS  53  -3.124  14.821 -12.913
  427    H    GLN  54           H        GLN  54   0.398  13.994  -7.371
  428    HA   GLN  54           HA       GLN  54  -0.983  13.071  -5.812
  429    HB2  GLN  54           1HB      GLN  54  -2.587  11.540  -6.753
  430    HB3  GLN  54           2HB      GLN  54  -2.133  12.716  -7.976
  431    HG2  GLN  54           1HG      GLN  54  -0.514  10.973  -8.848
  432    HG3  GLN  54           2HG      GLN  54  -1.336   9.829  -7.790
  433   HE21  GLN  54          1HE2      GLN  54  -3.583  12.032  -8.716
  434   HE22  GLN  54          2HE2      GLN  54  -4.236  11.217 -10.093
  435    H    ALA  55           H        ALA  55   1.688  12.138  -5.459
  436    HA   ALA  55           HA       ALA  55   1.795   9.338  -5.095
  437    HB1  ALA  55           3HB      ALA  55   3.478  11.320  -3.607
  438    HB2  ALA  55           1HB      ALA  55   3.901   9.689  -4.124
  439    HB3  ALA  55           2HB      ALA  55   3.728  10.975  -5.317
  440    H    LYS  56           H        LYS  56   1.016  12.024  -2.972
  441    HA   LYS  56           HA       LYS  56   0.943  10.563  -0.562
  442    HB2  LYS  56           1HB      LYS  56   0.567  13.235  -1.371
  443    HB3  LYS  56           2HB      LYS  56  -0.900  12.771  -0.526
  444    HG2  LYS  56           1HG      LYS  56   0.506  13.712   1.100
  445    HG3  LYS  56           2HG      LYS  56   0.584  11.969   1.354
  446    HD2  LYS  56           1HD      LYS  56   2.618  13.409  -0.326
  447    HD3  LYS  56           2HD      LYS  56   2.777  13.298   1.428
  448    HE2  LYS  56           1HE      LYS  56   2.686  10.842   1.252
  449    HE3  LYS  56           2HE      LYS  56   2.593  10.987  -0.504
  450    HZ1  LYS  56           3HZ      LYS  56   4.829  12.144   1.053
  451    HZ2  LYS  56           1HZ      LYS  56   4.756  11.833  -0.614
  452    HZ3  LYS  56           2HZ      LYS  56   4.856  10.545   0.486
  453    H    ASN  57           H        ASN  57  -1.183  10.587  -3.210
  454    HA   ASN  57           HA       ASN  57  -3.659  10.252  -1.938
  455    HB2  ASN  57           1HB      ASN  57  -2.665   9.346  -4.627
  456    HB3  ASN  57           2HB      ASN  57  -4.307   9.035  -4.089
  457   HD21  ASN  57          1HD2      ASN  57  -3.029  11.920  -2.892
  458   HD22  ASN  57          2HD2      ASN  57  -3.783  13.006  -4.006
  459    H    CYS  58           H        CYS  58  -4.724   8.601  -1.148
  460    HA   CYS  58           HA       CYS  58  -3.457   6.424   0.021
  461    HB2  CYS  58           1HB      CYS  58  -5.548   7.272   0.836
  462    HB3  CYS  58           2HB      CYS  58  -6.333   6.951  -0.704
  463    H    ILE  59           H        ILE  59  -2.789   4.597  -0.721
  464    HA   ILE  59           HA       ILE  59  -2.856   3.946  -3.441
  465    HB   ILE  59           HB       ILE  59  -1.804   1.785  -2.690
  466   HG12  ILE  59          1HG1      ILE  59  -2.317   3.056   0.006
  467   HG13  ILE  59          2HG1      ILE  59  -2.755   1.440  -0.530
  468   HG21  ILE  59          1HG2      ILE  59  -0.057   3.533  -1.325
  469   HG22  ILE  59          2HG2      ILE  59   0.014   3.014  -3.009
  470   HG23  ILE  59          3HG2      ILE  59  -0.870   4.475  -2.574
  471   HD11  ILE  59          3HD1      ILE  59  -0.894   0.659   0.357
  472   HD12  ILE  59          1HD1      ILE  59   0.055   1.673  -0.729
  473   HD13  ILE  59          2HD1      ILE  59  -0.431   2.292   0.857
  474    H    ILE  60           H        ILE  60  -4.832   2.778  -0.765
  475    HA   ILE  60           HA       ILE  60  -5.806   0.522  -2.145
  476    HB   ILE  60           HB       ILE  60  -6.859   1.926   0.306
  477   HG12  ILE  60          1HG1      ILE  60  -5.315  -0.637  -0.157
  478   HG13  ILE  60          2HG1      ILE  60  -4.710   0.834   0.597
  479   HG21  ILE  60          1HG2      ILE  60  -8.715   0.790  -0.853
  480   HG22  ILE  60          2HG2      ILE  60  -7.787  -0.710  -0.844
  481   HG23  ILE  60          3HG2      ILE  60  -8.313   0.010   0.677
  482   HD11  ILE  60          3HD1      ILE  60  -6.015   0.499   2.525
  483   HD12  ILE  60          1HD1      ILE  60  -6.990  -0.745   1.741
  484   HD13  ILE  60          2HD1      ILE  60  -5.302  -1.068   2.139
  485    H    CYS  61           H        CYS  61  -7.139   3.845  -1.937
  486    HA   CYS  61           HA       CYS  61  -9.278   2.874  -3.685
  487    HB2  CYS  61           1HB      CYS  61 -10.649   4.754  -2.868
  488    HB3  CYS  61           2HB      CYS  61 -10.176   3.665  -1.572
  489    H    ASN  62           H        ASN  62  -6.452   4.387  -3.712
  490    HA   ASN  62           HA       ASN  62  -5.404   6.033  -4.835
  491    HB2  ASN  62           1HB      ASN  62  -5.125   5.566  -7.143
  492    HB3  ASN  62           2HB      ASN  62  -5.240   4.065  -6.256
  493   HD21  ASN  62          1HD2      ASN  62  -8.374   5.062  -6.531
  494   HD22  ASN  62          2HD2      ASN  62  -8.768   4.282  -8.022
  495    H    LEU  63           H        LEU  63  -7.028   7.596  -3.847
  496    HA   LEU  63           HA       LEU  63  -7.183   9.597  -5.734
  497    HB2  LEU  63           1HB      LEU  63  -9.479  10.092  -5.888
  498    HB3  LEU  63           2HB      LEU  63  -9.163   8.511  -6.528
  499    HG   LEU  63           HG       LEU  63 -11.105   8.078  -5.492
  500   HD11  LEU  63          1HD1      LEU  63 -10.258   6.556  -4.176
  501   HD12  LEU  63          2HD1      LEU  63  -8.983   7.634  -3.598
  502   HD13  LEU  63          3HD1      LEU  63 -10.597   7.711  -2.885
  503   HD21  LEU  63          3HD2      LEU  63 -10.505  10.582  -4.136
  504   HD22  LEU  63          1HD2      LEU  63 -12.034   9.979  -4.785
  505   HD23  LEU  63          2HD2      LEU  63 -11.484   9.458  -3.191
  506    H    ASN  64           H        ASN  64  -8.935   8.812  -2.782
  507    HA   ASN  64           HA       ASN  64  -8.671  11.326  -1.536
  508    HB2  ASN  64           1HB      ASN  64  -8.912   8.584  -0.259
  509    HB3  ASN  64           2HB      ASN  64  -9.147  10.113   0.576
  510   HD21  ASN  64          1HD2      ASN  64 -10.690   7.609  -0.887
  511   HD22  ASN  64          2HD2      ASN  64 -12.190   8.376  -1.286
  512    H    VAL  65           H        VAL  65  -7.095  12.136  -0.122
  513    HA   VAL  65           HA       VAL  65  -4.462  11.111  -0.601
  514    HB   VAL  65           HB       VAL  65  -5.186  13.265   1.381
  515   HG11  VAL  65          1HG1      VAL  65  -2.936  12.663   1.655
  516   HG12  VAL  65          2HG1      VAL  65  -2.689  12.467  -0.082
  517   HG13  VAL  65          3HG1      VAL  65  -2.889  14.081   0.606
  518   HG21  VAL  65          3HG2      VAL  65  -4.782  14.860  -0.478
  519   HG22  VAL  65          1HG2      VAL  65  -4.739  13.494  -1.592
  520   HG23  VAL  65          2HG2      VAL  65  -6.221  13.865  -0.712
  521    H    GLY  66           H        GLY  66  -3.195   9.893   0.649
  522    HA2  GLY  66           2HA      GLY  66  -4.400   8.496   2.858
  523    HA3  GLY  66           1HA      GLY  66  -2.813   8.202   2.168
  524    H    VAL  67           H        VAL  67  -3.698   8.375   4.958
  525    HA   VAL  67           HA       VAL  67  -1.960  10.590   5.825
  526    HB   VAL  67           HB       VAL  67  -3.212  10.526   8.000
  527   HG11  VAL  67          1HG1      VAL  67  -4.177  11.522   5.424
  528   HG12  VAL  67          2HG1      VAL  67  -5.416  11.422   6.674
  529   HG13  VAL  67          3HG1      VAL  67  -3.953  12.366   6.956
  530   HG21  VAL  67          3HG2      VAL  67  -5.687   9.588   7.350
  531   HG22  VAL  67          1HG2      VAL  67  -4.637   8.405   6.574
  532   HG23  VAL  67          2HG2      VAL  67  -4.491   8.712   8.305
  533    H    ASN  68           H        ASN  68  -2.953   7.232   6.500
  534    HA   ASN  68           HA       ASN  68  -0.528   6.975   8.157
  535    HB2  ASN  68           1HB      ASN  68  -3.072   5.339   8.275
  536    HB3  ASN  68           2HB      ASN  68  -1.641   5.066   9.265
  537   HD21  ASN  68          1HD2      ASN  68  -4.536   5.929   9.748
  538   HD22  ASN  68          2HD2      ASN  68  -4.379   7.295  10.806
  539    H    ASP  69           H        ASP  69   0.986   5.596   7.596
  540    HA   ASP  69           HA       ASP  69   1.187   4.572   5.024
  541    HB2  ASP  69           1HB      ASP  69   2.668   3.432   7.407
  542    HB3  ASP  69           2HB      ASP  69   3.221   3.537   5.742
  543    H    ALA  70           H        ALA  70   0.795   2.684   4.068
  544    HA   ALA  70           HA       ALA  70  -0.993   0.796   5.264
  545    HB1  ALA  70           3HB      ALA  70  -1.399   0.500   3.098
  546    HB2  ALA  70           1HB      ALA  70   0.094   1.322   2.643
  547    HB3  ALA  70           2HB      ALA  70   0.114  -0.404   3.016
  548    H    PHE  71           H        PHE  71  -0.579  -1.298   5.930
  549    HA   PHE  71           HA       PHE  71   2.247  -2.089   6.070
  550    HB2  PHE  71           1HB      PHE  71   0.171  -2.155   8.237
  551    HB3  PHE  71           2HB      PHE  71   1.470  -3.339   8.230
  552    HD1  PHE  71           HD2      PHE  71   1.123   0.370   7.818
  553    HD2  PHE  71           HD1      PHE  71   3.230  -2.878   9.583
  554    HE1  PHE  71           HE2      PHE  71   2.580   1.961   9.000
  555    HE2  PHE  71           HE1      PHE  71   4.686  -1.293  10.771
  556    HZ   PHE  71           HZ       PHE  71   4.362   1.128  10.480
  557    H    TYR  72           H        TYR  72   2.677  -4.083   5.370
  558    HA   TYR  72           HA       TYR  72   0.650  -5.799   4.278
  559    HB2  TYR  72           1HB      TYR  72   3.541  -6.350   5.009
  560    HB3  TYR  72           2HB      TYR  72   2.494  -7.497   4.189
  561    HD1  TYR  72           HD1      TYR  72   1.706  -7.001   1.878
  562    HD2  TYR  72           HD2      TYR  72   4.658  -4.626   3.816
  563    HE1  TYR  72           HE1      TYR  72   2.429  -6.131  -0.301
  564    HE2  TYR  72           HE2      TYR  72   5.386  -3.748   1.637
  565    HH   TYR  72           HH       TYR  72   3.771  -4.752  -1.378
  566    H    CYS  73           H        CYS  73  -0.587  -7.204   5.395
  567    HA   CYS  73           HA       CYS  73  -0.322  -7.373   8.229
  568    HB2  CYS  73           1HB      CYS  73  -2.348  -8.521   8.243
  569    HB3  CYS  73           2HB      CYS  73  -2.485  -7.517   6.804
  570    H    TRP  74           H        TRP  74  -0.328  -9.460   9.365
  571    HA   TRP  74           HA       TRP  74   1.990 -10.867   9.139
  572    HB2  TRP  74           1HB      TRP  74   0.658 -10.978  11.104
  573    HB3  TRP  74           2HB      TRP  74  -0.685 -11.688  10.231
  574    HD1  TRP  74           HD1      TRP  74  -0.912 -13.892  11.448
  575    HE1  TRP  74           HE1      TRP  74   0.577 -15.965  11.806
  576    HE3  TRP  74           HE3      TRP  74   3.444 -12.039   9.606
  577    HZ2  TRP  74           HZ2      TRP  74   3.272 -16.697  11.344
  578    HZ3  TRP  74           HZ3      TRP  74   5.442 -13.474   9.594
  579    HH2  TRP  74           HH2      TRP  74   5.352 -15.759  10.440
  580    H    GLU  75           H        GLU  75  -1.155 -12.128   8.146
  581    HA   GLU  75           HA       GLU  75  -0.228 -14.514   7.183
  582    HB2  GLU  75           1HB      GLU  75  -2.660 -13.007   6.219
  583    HB3  GLU  75           2HB      GLU  75  -2.358 -14.717   5.949
  584    HG2  GLU  75           1HG      GLU  75  -2.341 -15.039   8.410
  585    HG3  GLU  75           2HG      GLU  75  -2.820 -13.350   8.589
  586    H    CYS  76           H        CYS  76  -0.679 -11.524   5.313
  587    HA   CYS  76           HA       CYS  76  -0.023 -12.703   2.821
  588    HB2  CYS  76           1HB      CYS  76   0.060  -9.828   3.730
  589    HB3  CYS  76           2HB      CYS  76   0.384 -10.338   2.076
  590    H    CYS  77           H        CYS  77   1.892 -11.349   5.409
  591    HA   CYS  77           HA       CYS  77   4.374 -11.304   3.972
  592    HB2  CYS  77           1HB      CYS  77   3.859 -11.480   6.950
  593    HB3  CYS  77           2HB      CYS  77   5.409 -11.117   6.196
  594    HG   CYS  77           HG       CYS  77   2.632  -9.149   6.376
  595    H    ARG  78           H        ARG  78   2.614 -13.624   5.923
  596    HA   ARG  78           HA       ARG  78   4.614 -15.639   6.008
  597    HB2  ARG  78           1HB      ARG  78   2.679 -15.572   7.538
  598    HB3  ARG  78           2HB      ARG  78   1.602 -15.881   6.187
  599    HG2  ARG  78           1HG      ARG  78   1.932 -17.906   7.426
  600    HG3  ARG  78           2HG      ARG  78   2.705 -18.061   5.846
  601    HD2  ARG  78           1HD      ARG  78   4.864 -17.717   6.781
  602    HD3  ARG  78           2HD      ARG  78   4.183 -17.245   8.337
  603    HE   ARG  78           HE       ARG  78   4.733 -19.885   7.439
  604   HH11  ARG  78          2HH1      ARG  78   2.419 -18.058   9.342
  605   HH12  ARG  78          1HH1      ARG  78   2.008 -19.398  10.368
  606   HH21  ARG  78          2HH2      ARG  78   4.193 -21.651   8.790
  607   HH22  ARG  78          1HH2      ARG  78   3.008 -21.440  10.049
  608    H    LEU  79           H        LEU  79   1.851 -15.025   3.880
  609    HA   LEU  79           HA       LEU  79   2.161 -17.254   2.186
  610    HB2  LEU  79           1HB      LEU  79   1.023 -14.524   1.563
  611    HB3  LEU  79           2HB      LEU  79   0.811 -15.956   0.575
  612    HG   LEU  79           HG       LEU  79  -0.229 -15.620   3.391
  613   HD11  LEU  79          1HD1      LEU  79  -2.183 -16.016   1.300
  614   HD12  LEU  79          2HD1      LEU  79  -2.098 -14.768   2.545
  615   HD13  LEU  79          3HD1      LEU  79  -1.226 -14.560   1.026
  616   HD21  LEU  79          3HD2      LEU  79  -0.484 -17.823   3.417
  617   HD22  LEU  79          1HD2      LEU  79  -1.497 -17.713   1.977
  618   HD23  LEU  79          2HD2      LEU  79   0.245 -17.945   1.815
  619    H    GLY  80           H        GLY  80   3.635 -14.087   2.228
  620    HA2  GLY  80           2HA      GLY  80   5.721 -13.564   1.265
  621    HA3  GLY  80           1HA      GLY  80   5.567 -14.966   0.218
  622    H    LYS  81           H        LYS  81   3.013 -12.614   0.684
  623    HA   LYS  81           HA       LYS  81   3.288 -11.847  -2.127
  624    HB2  LYS  81           1HB      LYS  81   1.008 -11.497  -0.176
  625    HB3  LYS  81           2HB      LYS  81   1.025 -10.807  -1.795
  626    HG2  LYS  81           1HG      LYS  81   1.214 -13.063  -2.743
  627    HG3  LYS  81           2HG      LYS  81   1.152 -13.738  -1.115
  628    HD2  LYS  81           1HD      LYS  81  -1.028 -13.888  -2.133
  629    HD3  LYS  81           2HD      LYS  81  -1.074 -12.720  -0.813
  630    HE2  LYS  81           1HE      LYS  81  -2.302 -11.921  -2.775
  631    HE3  LYS  81           2HE      LYS  81  -0.925 -10.887  -2.397
  632    HZ1  LYS  81           3HZ      LYS  81  -1.507 -12.079  -4.812
  633    HZ2  LYS  81           1HZ      LYS  81  -0.159 -12.913  -4.219
  634    HZ3  LYS  81           2HZ      LYS  81  -0.103 -11.224  -4.401
  635    H    ASP  82           H        ASP  82   5.026 -10.989   0.049
  636    HA   ASP  82           HA       ASP  82   4.479  -8.167   0.386
  637    HB2  ASP  82           1HB      ASP  82   6.712  -8.074   1.441
  638    HB3  ASP  82           2HB      ASP  82   5.659  -9.264   2.188
  639    H    LYS  83           H        LYS  83   5.784 -10.228  -1.929
  640    HA   LYS  83           HA       LYS  83   7.508  -8.307  -3.210
  641    HB2  LYS  83           1HB      LYS  83   7.388  -9.985  -5.142
  642    HB3  LYS  83           2HB      LYS  83   8.142 -10.520  -3.651
  643    HG2  LYS  83           1HG      LYS  83   6.830 -12.316  -4.380
  644    HG3  LYS  83           2HG      LYS  83   5.918 -11.581  -3.063
  645    HD2  LYS  83           1HD      LYS  83   4.545 -10.382  -4.720
  646    HD3  LYS  83           2HD      LYS  83   5.438 -11.184  -6.013
  647    HE2  LYS  83           1HE      LYS  83   3.803 -12.569  -3.891
  648    HE3  LYS  83           2HE      LYS  83   3.285 -12.275  -5.550
  649    HZ1  LYS  83           3HZ      LYS  83   5.317 -14.155  -4.546
  650    HZ2  LYS  83           1HZ      LYS  83   5.445 -13.554  -6.127
  651    HZ3  LYS  83           2HZ      LYS  83   4.064 -14.414  -5.659
  652    H    ASP  84           H        ASP  84   4.294  -8.488  -2.800
  653    HA   ASP  84           HA       ASP  84   3.474  -7.405  -5.366
  654    HB2  ASP  84           1HB      ASP  84   2.001  -7.935  -2.779
  655    HB3  ASP  84           2HB      ASP  84   1.271  -7.045  -4.109
  656    H    GLY  85           H        GLY  85   5.055  -5.774  -5.243
  657    HA2  GLY  85           2HA      GLY  85   5.541  -4.024  -3.225
  658    HA3  GLY  85           1HA      GLY  85   5.798  -3.629  -4.914
  659    H    CYS  86           H        CYS  86   4.170  -2.473  -6.044
  660    HA   CYS  86           HA       CYS  86   2.961  -0.489  -4.383
  661    HB2  CYS  86           1HB      CYS  86   4.055  -0.161  -6.664
  662    HB3  CYS  86           2HB      CYS  86   2.578  -0.820  -7.356
  663    HA   PRO  87           HA       PRO  87  -0.865  -2.842  -4.397
  664    HB2  PRO  87           1HB      PRO  87  -1.733  -2.160  -2.000
  665    HB3  PRO  87           2HB      PRO  87  -0.277  -3.150  -2.169
  666    HG2  PRO  87           1HG      PRO  87  -0.528  -0.226  -1.607
  667    HG3  PRO  87           2HG      PRO  87   0.580  -1.411  -0.896
  668    HD2  PRO  87           1HD      PRO  87   1.193   0.330  -2.989
  669    HD3  PRO  87           2HD      PRO  87   2.102  -1.135  -2.567
  670    H    ARG  88           H        ARG  88  -0.761  -0.229  -5.783
  671    HA   ARG  88           HA       ARG  88  -3.087   1.204  -4.867
  672    HB2  ARG  88           1HB      ARG  88  -1.417   1.427  -7.366
  673    HB3  ARG  88           2HB      ARG  88  -2.882   2.371  -7.121
  674    HG2  ARG  88           1HG      ARG  88  -1.745   3.041  -4.886
  675    HG3  ARG  88           2HG      ARG  88  -0.272   2.516  -5.689
  676    HD2  ARG  88           1HD      ARG  88  -0.367   4.202  -7.251
  677    HD3  ARG  88           2HD      ARG  88  -2.115   4.386  -7.101
  678    HE   ARG  88           HE       ARG  88  -1.051   5.107  -4.658
  679   HH11  ARG  88          2HH1      ARG  88  -0.713   6.212  -7.959
  680   HH12  ARG  88          1HH1      ARG  88  -0.518   7.879  -7.515
  681   HH21  ARG  88          2HH2      ARG  88  -0.809   7.297  -4.061
  682   HH22  ARG  88          1HH2      ARG  88  -0.588   8.502  -5.294
  683    H    ILE  89           H        ILE  89  -5.034   0.434  -5.064
  684    HA   ILE  89           HA       ILE  89  -5.639  -1.742  -6.822
  685    HB   ILE  89           HB       ILE  89  -7.521  -0.082  -5.134
  686   HG12  ILE  89          1HG1      ILE  89  -5.782  -1.220  -3.810
  687   HG13  ILE  89          2HG1      ILE  89  -7.371  -1.922  -3.520
  688   HG21  ILE  89          1HG2      ILE  89  -9.132  -1.164  -6.230
  689   HG22  ILE  89          2HG2      ILE  89  -7.969  -2.206  -7.049
  690   HG23  ILE  89          3HG2      ILE  89  -8.562  -2.638  -5.445
  691   HD11  ILE  89          3HD1      ILE  89  -5.224  -3.409  -3.911
  692   HD12  ILE  89          1HD1      ILE  89  -6.816  -3.908  -4.479
  693   HD13  ILE  89          2HD1      ILE  89  -5.668  -3.175  -5.601
  694    H    LEU  90           H        LEU  90  -5.242  -0.948  -8.862
  695    HA   LEU  90           HA       LEU  90  -6.285   1.418  -9.942
  696    HB2  LEU  90           1HB      LEU  90  -5.559  -1.083 -11.446
  697    HB3  LEU  90           2HB      LEU  90  -5.562   0.560 -12.060
  698    HG   LEU  90           HG       LEU  90  -3.747  -0.302  -9.822
  699   HD11  LEU  90          1HD1      LEU  90  -3.216  -0.343 -12.782
  700   HD12  LEU  90          2HD1      LEU  90  -2.006  -0.574 -11.520
  701   HD13  LEU  90          3HD1      LEU  90  -3.314  -1.743 -11.712
  702   HD21  LEU  90          3HD2      LEU  90  -4.157   2.127 -11.444
  703   HD22  LEU  90          1HD2      LEU  90  -3.546   1.947  -9.800
  704   HD23  LEU  90          2HD2      LEU  90  -2.480   1.656 -11.174
  705    H    ASN  91           H        ASN  91  -7.405  -1.918 -10.065
  706    HA   ASN  91           HA       ASN  91  -9.563  -1.441 -11.830
  707    HB2  ASN  91           1HB      ASN  91 -10.168  -3.699 -11.482
  708    HB3  ASN  91           2HB      ASN  91  -8.419  -3.676 -11.324
  709   HD21  ASN  91          1HD2      ASN  91  -7.488  -4.018  -9.276
  710   HD22  ASN  91          2HD2      ASN  91  -8.402  -4.688  -7.964
  711    H    LEU  92           H        LEU  92 -11.509  -0.669 -11.490
  712    HA   LEU  92           HA       LEU  92 -13.399   0.100 -10.506
  713    HB2  LEU  92           1HB      LEU  92 -12.427  -1.703  -8.349
  714    HB3  LEU  92           2HB      LEU  92 -13.647  -0.516  -7.938
  715    HG   LEU  92           HG       LEU  92 -14.682  -2.648  -8.450
  716   HD11  LEU  92          1HD1      LEU  92 -16.425  -1.721  -9.508
  717   HD12  LEU  92          2HD1      LEU  92 -15.475  -0.240  -9.388
  718   HD13  LEU  92          3HD1      LEU  92 -15.447  -1.186 -10.875
  719   HD21  LEU  92          3HD2      LEU  92 -13.908  -3.996 -10.028
  720   HD22  LEU  92          1HD2      LEU  92 -14.320  -2.807 -11.264
  721   HD23  LEU  92          2HD2      LEU  92 -12.731  -2.767 -10.496
  722    H    GLY  93           H        GLY  93 -10.520   0.370  -8.441
  723    HA2  GLY  93           2HA      GLY  93  -9.636   2.221  -7.380
  724    HA3  GLY  93           1HA      GLY  93 -10.762   3.226  -8.288
  725    H    SER  94           H        SER  94 -11.961   4.374  -6.925
  726    HA   SER  94           HA       SER  94 -13.031   2.975  -4.563
  727    HB2  SER  94           1HB      SER  94 -11.720   4.938  -3.952
  728    HB3  SER  94           2HB      SER  94 -12.681   5.952  -5.029
  729    HG   SER  94           HG       SER  94 -14.502   5.048  -3.607
  730    H    ASN  95           H        ASN  95 -13.881   3.103  -7.481
  731    HA   ASN  95           HA       ASN  95 -16.476   4.396  -7.342
  732    HB2  ASN  95           1HB      ASN  95 -15.213   2.696  -9.503
  733    HB3  ASN  95           2HB      ASN  95 -16.780   3.486  -9.639
  734   HD21  ASN  95          1HD2      ASN  95 -13.633   3.745 -10.450
  735   HD22  ASN  95          2HD2      ASN  95 -13.520   5.460 -10.655
  736    H    ARG  96           H        ARG  96 -16.440   2.721  -5.333
  737    HA   ARG  96           HA       ARG  96 -18.583   0.961  -5.883
  738    HB2  ARG  96           1HB      ARG  96 -17.257  -1.060  -4.830
  739    HB3  ARG  96           2HB      ARG  96 -17.234  -0.768  -6.559
  740    HG2  ARG  96           1HG      ARG  96 -15.025  -1.312  -5.851
  741    HG3  ARG  96           2HG      ARG  96 -15.057   0.398  -6.277
  742    HD2  ARG  96           1HD      ARG  96 -15.137   1.026  -3.963
  743    HD3  ARG  96           2HD      ARG  96 -15.308  -0.658  -3.467
  744    HE   ARG  96           HE       ARG  96 -12.952  -0.481  -4.930
  745   HH11  ARG  96          2HH1      ARG  96 -14.233   0.862  -1.947
  746   HH12  ARG  96          1HH1      ARG  96 -12.676   0.938  -1.181
  747   HH21  ARG  96          2HH2      ARG  96 -10.934  -0.357  -3.936
  748   HH22  ARG  96          1HH2      ARG  96 -10.794   0.249  -2.317
  749    H    LEU  97           H        LEU  97 -17.613  -0.686  -3.423
  750    HA   LEU  97           HA       LEU  97 -19.015   0.789  -1.508
  751    HB2  LEU  97           1HB      LEU  97 -18.081  -0.790   0.155
  752    HB3  LEU  97           2HB      LEU  97 -18.811  -1.571  -1.229
  753    HG   LEU  97           HG       LEU  97 -16.371  -1.741  -2.120
  754   HD11  LEU  97          1HD1      LEU  97 -15.136  -0.432  -0.621
  755   HD12  LEU  97          2HD1      LEU  97 -15.937  -1.131   0.787
  756   HD13  LEU  97          3HD1      LEU  97 -14.792  -2.098  -0.145
  757   HD21  LEU  97          3HD2      LEU  97 -17.441  -3.742  -1.685
  758   HD22  LEU  97          1HD2      LEU  97 -16.072  -3.807  -0.576
  759   HD23  LEU  97          2HD2      LEU  97 -17.671  -3.366   0.023
  760    H    ASP  98           H        ASP  98 -18.440   2.130   0.114
  761    HA   ASP  98           HA       ASP  98 -15.619   2.964   0.247
  762    HB2  ASP  98           1HB      ASP  98 -16.312   5.281   0.584
  763    HB3  ASP  98           2HB      ASP  98 -16.926   4.684  -0.952
  764    H    ARG  99           H        ARG  99 -17.166   1.068   1.762
  765    HA   ARG  99           HA       ARG  99 -16.597   2.077   4.429
  766    HB2  ARG  99           1HB      ARG  99 -19.297   1.007   3.586
  767    HB3  ARG  99           2HB      ARG  99 -18.774   1.078   5.260
  768    HG2  ARG  99           1HG      ARG  99 -19.026   3.452   3.437
  769    HG3  ARG  99           2HG      ARG  99 -20.236   2.938   4.612
  770    HD2  ARG  99           1HD      ARG  99 -18.472   3.174   6.383
  771    HD3  ARG  99           2HD      ARG  99 -17.440   3.917   5.161
  772    HE   ARG  99           HE       ARG  99 -19.561   5.158   6.590
  773   HH11  ARG  99          2HH1      ARG  99 -17.931   5.155   3.484
  774   HH12  ARG  99          1HH1      ARG  99 -18.505   6.737   3.046
  775   HH21  ARG  99          2HH2      ARG  99 -20.325   7.225   6.000
  776   HH22  ARG  99          1HH2      ARG  99 -19.872   7.903   4.464
  777    H    HIS 100           H        HIS 100 -15.993   0.465   5.833
  778    HA   HIS 100           HA       HIS 100 -15.470  -2.133   4.651
  779    HB2  HIS 100           1HB      HIS 100 -13.812  -1.021   6.166
  780    HB3  HIS 100           2HB      HIS 100 -14.969  -1.175   7.483
  781    HD1  HIS 100           HD1      HIS 100 -12.901  -2.555   8.574
  782    HD2  HIS 100           HD2      HIS 100 -14.884  -4.352   5.385
  783    HE1  HIS 100           HE1      HIS 100 -12.251  -4.989   8.645
  784    HE2  HIS 100           HE2      HIS 100 -13.416  -6.048   6.671
  785    H    PHE 101           H        PHE 101 -17.063  -3.612   4.624
  786    HA   PHE 101           HA       PHE 101 -19.393  -3.341   6.218
  787    HB2  PHE 101           1HB      PHE 101 -19.916  -5.688   5.382
  788    HB3  PHE 101           2HB      PHE 101 -19.738  -4.435   4.165
  789    HD1  PHE 101           HD1      PHE 101 -17.842  -7.172   5.840
  790    HD2  PHE 101           HD2      PHE 101 -18.343  -4.772   2.363
  791    HE1  PHE 101           HE1      PHE 101 -16.206  -8.566   4.645
  792    HE2  PHE 101           HE2      PHE 101 -16.711  -6.164   1.160
  793    HZ   PHE 101           HZ       PHE 101 -15.640  -8.065   2.301
  794    H    GLU 102           H        GLU 102 -19.803  -3.969   8.180
  795    HA   GLU 102           HA       GLU 102 -18.543  -6.153   9.531
  796    HB2  GLU 102           1HB      GLU 102 -16.695  -4.450   9.418
  797    HB3  GLU 102           2HB      GLU 102 -17.715  -3.346  10.323
  798    HG2  GLU 102           1HG      GLU 102 -16.970  -6.036  11.408
  799    HG3  GLU 102           2HG      GLU 102 -15.910  -4.640  11.579
  800    H    LYS 103           H        LYS 103 -19.947  -2.927  10.016
  801    HA   LYS 103           HA       LYS 103 -21.344  -3.643  12.388
  802    HB2  LYS 103           1HB      LYS 103 -20.753  -1.332  11.970
  803    HB3  LYS 103           2HB      LYS 103 -21.694  -1.320  10.487
  804    HG2  LYS 103           1HG      LYS 103 -22.885  -0.162  12.236
  805    HG3  LYS 103           2HG      LYS 103 -23.744  -1.640  11.799
  806    HD2  LYS 103           1HD      LYS 103 -22.716  -2.767  13.746
  807    HD3  LYS 103           2HD      LYS 103 -21.961  -1.236  14.199
  808    HE2  LYS 103           1HE      LYS 103 -24.155  -0.213  14.435
  809    HE3  LYS 103           2HE      LYS 103 -24.924  -1.722  13.944
  810    HZ1  LYS 103           3HZ      LYS 103 -25.037  -1.940  16.186
  811    HZ2  LYS 103           1HZ      LYS 103 -23.646  -1.020  16.474
  812    HZ3  LYS 103           2HZ      LYS 103 -23.504  -2.630  15.951
  813    H    LYS 104           H        LYS 104 -22.545  -2.908   9.103
  814    HA   LYS 104           HA       LYS 104 -24.344  -5.056   8.976
  815    HB2  LYS 104           1HB      LYS 104 -25.400  -3.679  10.837
  816    HB3  LYS 104           2HB      LYS 104 -25.715  -2.443   9.630
  817    HG2  LYS 104           1HG      LYS 104 -27.172  -3.917   8.418
  818    HG3  LYS 104           2HG      LYS 104 -26.749  -5.266   9.477
  819    HD2  LYS 104           1HD      LYS 104 -27.681  -4.004  11.390
  820    HD3  LYS 104           2HD      LYS 104 -28.185  -2.736  10.275
  821    HE2  LYS 104           1HE      LYS 104 -29.649  -4.275   9.126
  822    HE3  LYS 104           2HE      LYS 104 -29.084  -5.610  10.129
  823    HZ1  LYS 104           3HZ      LYS 104 -31.209  -3.920  10.644
  824    HZ2  LYS 104           1HZ      LYS 104 -30.002  -3.467  11.747
  825    HZ3  LYS 104           2HZ      LYS 104 -30.545  -5.073  11.695
  826    H    LYS 105           H        LYS 105 -24.760  -5.323   6.898
  827    HA   LYS 105           HA       LYS 105 -25.084  -4.971   4.686
  828    HB2  LYS 105           1HB      LYS 105 -25.485  -2.086   5.475
  829    HB3  LYS 105           2HB      LYS 105 -25.683  -2.698   3.840
  830    HG2  LYS 105           1HG      LYS 105 -27.405  -4.288   4.766
  831    HG3  LYS 105           2HG      LYS 105 -27.316  -3.368   6.268
  832    HD2  LYS 105           1HD      LYS 105 -27.970  -1.341   5.090
  833    HD3  LYS 105           2HD      LYS 105 -28.004  -2.223   3.563
  834    HE2  LYS 105           1HE      LYS 105 -29.772  -2.708   5.957
  835    HE3  LYS 105           2HE      LYS 105 -30.253  -1.960   4.433
  836    HZ1  LYS 105           3HZ      LYS 105 -29.191  -4.331   3.649
  837    HZ2  LYS 105           1HZ      LYS 105 -30.847  -4.020   3.851
  838    HZ3  LYS 105           2HZ      LYS 105 -29.960  -4.742   5.101
  839    H    LYS 106           H        LYS 106 -23.832  -4.620   2.904
  840    HA   LYS 106           HA       LYS 106 -21.083  -3.838   3.468
  841    HB2  LYS 106           1HB      LYS 106 -22.317  -4.965   0.944
  842    HB3  LYS 106           2HB      LYS 106 -20.598  -4.762   1.250
  843    HG2  LYS 106           1HG      LYS 106 -20.661  -6.408   3.006
  844    HG3  LYS 106           2HG      LYS 106 -22.415  -6.542   2.859
  845    HD2  LYS 106           1HD      LYS 106 -20.445  -7.207   0.672
  846    HD3  LYS 106           2HD      LYS 106 -21.202  -8.390   1.740
  847    HE2  LYS 106           1HE      LYS 106 -23.400  -7.765   0.909
  848    HE3  LYS 106           2HE      LYS 106 -22.677  -6.523  -0.110
  849    HZ1  LYS 106           3HZ      LYS 106 -23.263  -8.759  -1.162
  850    HZ2  LYS 106           1HZ      LYS 106 -21.881  -9.352  -0.379
  851    HZ3  LYS 106           2HZ      LYS 106 -21.745  -8.093  -1.510
  852    H    VAL 107           H        VAL 107 -22.737  -1.665   3.620
  853    HA   VAL 107           HA       VAL 107 -21.905  -0.095   1.294
  854    HB   VAL 107           HB       VAL 107 -24.091   1.112   1.307
  855   HG11  VAL 107          1HG1      VAL 107 -25.376  -1.093   0.444
  856   HG12  VAL 107          2HG1      VAL 107 -24.156  -0.236  -0.498
  857   HG13  VAL 107          3HG1      VAL 107 -23.711  -1.672   0.423
  858   HG21  VAL 107          3HG2      VAL 107 -24.610   0.114   3.674
  859   HG22  VAL 107          1HG2      VAL 107 -25.915   0.463   2.539
  860   HG23  VAL 107          2HG2      VAL 107 -25.333  -1.191   2.732
  Start of MODEL   16
    1    H1   GLY  -1           1H       GLY  -1 -25.817  -4.998 -11.867
    2    H2   GLY  -1           2H       GLY  -1 -27.467  -5.158 -12.218
    3    H3   GLY  -1           3H       GLY  -1 -26.309  -5.738 -13.311
    4    HA2  GLY  -1           1HA      GLY  -1 -27.403  -7.499 -11.963
    5    HA3  GLY  -1           2HA      GLY  -1 -25.647  -7.470 -11.867
    6    H    GLY   0           H        GLY   0 -25.399  -8.342  -9.868
    7    HA2  GLY   0           2HA      GLY   0 -25.923  -6.595  -7.618
    8    HA3  GLY   0           1HA      GLY   0 -26.845  -8.094  -7.595
    9    H    SER   1           H        SER   1 -23.533  -7.346  -8.585
   10    HA   SER   1           HA       SER   1 -22.471  -9.727  -7.492
   11    HB2  SER   1           1HB      SER   1 -20.995  -7.199  -8.261
   12    HB3  SER   1           2HB      SER   1 -20.312  -8.819  -8.125
   13    HG   SER   1           HG       SER   1 -21.437  -9.454  -9.907
   14    H    SER   2           H        SER   2 -22.632  -6.393  -6.349
   15    HA   SER   2           HA       SER   2 -22.214  -5.414  -4.348
   16    HB2  SER   2           1HB      SER   2 -22.635  -8.200  -3.234
   17    HB3  SER   2           2HB      SER   2 -22.775  -6.684  -2.345
   18    HG   SER   2           HG       SER   2 -24.540  -7.886  -4.098
   19    H    ARG   3           H        ARG   3 -19.968  -5.946  -5.749
   20    HA   ARG   3           HA       ARG   3 -18.017  -7.496  -4.412
   21    HB2  ARG   3           1HB      ARG   3 -17.666  -5.156  -6.290
   22    HB3  ARG   3           2HB      ARG   3 -16.387  -6.259  -5.806
   23    HG2  ARG   3           1HG      ARG   3 -17.574  -8.104  -6.894
   24    HG3  ARG   3           2HG      ARG   3 -18.850  -6.982  -7.382
   25    HD2  ARG   3           1HD      ARG   3 -15.945  -6.801  -8.175
   26    HD3  ARG   3           2HD      ARG   3 -17.256  -7.380  -9.203
   27    HE   ARG   3           HE       ARG   3 -16.625  -4.633  -8.539
   28   HH11  ARG   3          2HH1      ARG   3 -18.974  -6.841  -9.903
   29   HH12  ARG   3          1HH1      ARG   3 -19.972  -5.578 -10.553
   30   HH21  ARG   3          2HH2      ARG   3 -17.919  -2.964  -9.431
   31   HH22  ARG   3          1HH2      ARG   3 -19.366  -3.379 -10.301
   32    H    HIS   4           H        HIS   4 -16.540  -7.010  -2.895
   33    HA   HIS   4           HA       HIS   4 -16.791  -4.541  -1.388
   34    HB2  HIS   4           1HB      HIS   4 -14.934  -6.921  -1.141
   35    HB3  HIS   4           2HB      HIS   4 -14.833  -5.510  -0.093
   36    HD1  HIS   4           HD1      HIS   4 -17.298  -4.977   1.141
   37    HD2  HIS   4           HD2      HIS   4 -16.482  -8.871  -0.090
   38    HE1  HIS   4           HE1      HIS   4 -18.891  -6.448   2.420
   39    HE2  HIS   4           HE2      HIS   4 -18.441  -8.790   1.602
   40    H    GLN   5           H        GLN   5 -13.650  -4.841  -1.096
   41    HA   GLN   5           HA       GLN   5 -13.017  -2.890  -3.133
   42    HB2  GLN   5           1HB      GLN   5 -11.988  -2.818  -0.870
   43    HB3  GLN   5           2HB      GLN   5 -11.155  -4.323  -1.229
   44    HG2  GLN   5           1HG      GLN   5  -9.675  -2.429  -1.516
   45    HG3  GLN   5           2HG      GLN   5  -9.961  -3.236  -3.058
   46   HE21  GLN   5          1HE2      GLN   5  -9.854  -1.717  -4.551
   47   HE22  GLN   5          2HE2      GLN   5 -10.705  -0.213  -4.533
   48    H    PHE   6           H        PHE   6 -13.621  -4.269  -4.952
   49    HA   PHE   6           HA       PHE   6 -11.491  -6.195  -5.583
   50    HB2  PHE   6           1HB      PHE   6 -14.433  -6.369  -6.106
   51    HB3  PHE   6           2HB      PHE   6 -13.290  -7.215  -7.145
   52    HD1  PHE   6           HD1      PHE   6 -14.102  -6.785  -3.527
   53    HD2  PHE   6           HD2      PHE   6 -12.649  -9.345  -6.602
   54    HE1  PHE   6           HE1      PHE   6 -13.973  -8.640  -1.918
   55    HE2  PHE   6           HE2      PHE   6 -12.524 -11.204  -4.995
   56    HZ   PHE   6           HZ       PHE   6 -13.186 -10.853  -2.652
   57    H    ASP   7           H        ASP   7 -11.620  -3.349  -6.151
   58    HA   ASP   7           HA       ASP   7 -11.521  -3.386  -9.081
   59    HB2  ASP   7           1HB      ASP   7 -11.235  -1.166  -7.071
   60    HB3  ASP   7           2HB      ASP   7 -10.495  -1.020  -8.673
   61    H    LEU   8           H        LEU   8 -10.038  -5.248  -8.294
   62    HA   LEU   8           HA       LEU   8  -7.561  -4.699  -7.177
   63    HB2  LEU   8           1HB      LEU   8  -8.202  -6.965  -9.007
   64    HB3  LEU   8           2HB      LEU   8  -6.914  -6.880  -7.828
   65    HG   LEU   8           HG       LEU   8  -9.781  -7.441  -7.427
   66   HD11  LEU   8          1HD1      LEU   8  -8.719  -8.912  -5.696
   67   HD12  LEU   8          2HD1      LEU   8  -8.263  -9.240  -7.370
   68   HD13  LEU   8          3HD1      LEU   8  -7.166  -8.348  -6.317
   69   HD21  LEU   8          3HD2      LEU   8  -9.867  -5.669  -5.961
   70   HD22  LEU   8          1HD2      LEU   8  -9.254  -6.947  -4.910
   71   HD23  LEU   8          2HD2      LEU   8  -8.143  -5.757  -5.586
   72    H    ILE   9           H        ILE   9  -6.316  -6.347  -9.440
   73    HA   ILE   9           HA       ILE   9  -4.856  -6.011 -11.127
   74    HB   ILE   9           HB       ILE   9  -6.906  -3.900 -11.789
   75   HG12  ILE   9          1HG1      ILE   9  -7.314  -5.411 -13.743
   76   HG13  ILE   9          2HG1      ILE   9  -6.147  -6.536 -13.058
   77   HG21  ILE   9          1HG2      ILE   9  -4.236  -3.978 -12.794
   78   HG22  ILE   9          2HG2      ILE   9  -5.379  -4.334 -14.091
   79   HG23  ILE   9          3HG2      ILE   9  -5.545  -2.848 -13.154
   80   HD11  ILE   9          3HD1      ILE   9  -8.713  -6.841 -12.659
   81   HD12  ILE   9          1HD1      ILE   9  -7.549  -7.175 -11.373
   82   HD13  ILE   9          2HD1      ILE   9  -8.437  -5.649 -11.386
   83    H    MET  10           H        MET  10  -4.158  -5.350  -8.767
   84    HA   MET  10           HA       MET  10  -3.446  -2.639  -8.408
   85    HB2  MET  10           1HB      MET  10  -2.230  -3.389  -6.426
   86    HB3  MET  10           2HB      MET  10  -3.837  -4.088  -6.500
   87    HG2  MET  10           1HG      MET  10  -2.620  -6.105  -7.581
   88    HG3  MET  10           2HG      MET  10  -1.187  -5.394  -6.839
   89    HE1  MET  10           3HE      MET  10  -2.381  -3.939  -4.614
   90    HE2  MET  10           1HE      MET  10  -3.211  -4.828  -3.337
   91    HE3  MET  10           2HE      MET  10  -1.472  -5.021  -3.557
   92    H    CYS  11           H        CYS  11  -1.504  -1.670  -8.388
   93    HA   CYS  11           HA       CYS  11  -0.150  -1.715 -10.689
   94    HB2  CYS  11           1HB      CYS  11  -0.190   0.004  -8.853
   95    HB3  CYS  11           2HB      CYS  11   1.082  -0.914  -8.061
   96    H    LEU  12           H        LEU  12   1.306  -2.976  -7.688
   97    HA   LEU  12           HA       LEU  12   3.071  -4.331  -7.292
   98    HB2  LEU  12           1HB      LEU  12   1.763  -5.871  -9.522
   99    HB3  LEU  12           2HB      LEU  12   2.881  -6.529  -8.340
  100    HG   LEU  12           HG       LEU  12   0.149  -5.393  -7.749
  101   HD11  LEU  12          1HD1      LEU  12   0.702  -7.807  -8.812
  102   HD12  LEU  12          2HD1      LEU  12   0.810  -8.172  -7.089
  103   HD13  LEU  12          3HD1      LEU  12  -0.667  -7.474  -7.753
  104   HD21  LEU  12          3HD2      LEU  12   1.380  -6.929  -5.639
  105   HD22  LEU  12          1HD2      LEU  12   2.360  -5.527  -6.061
  106   HD23  LEU  12          2HD2      LEU  12   0.674  -5.314  -5.589
  107    H    LYS  13           H        LYS  13   3.808  -2.239  -9.092
  108    HA   LYS  13           HA       LYS  13   5.688  -3.451 -10.945
  109    HB2  LYS  13           1HB      LYS  13   4.978  -0.629 -10.235
  110    HB3  LYS  13           2HB      LYS  13   6.513  -0.964 -11.021
  111    HG2  LYS  13           1HG      LYS  13   5.220  -2.154 -12.811
  112    HG3  LYS  13           2HG      LYS  13   3.755  -1.512 -12.068
  113    HD2  LYS  13           1HD      LYS  13   5.997   0.324 -12.815
  114    HD3  LYS  13           2HD      LYS  13   4.860  -0.228 -14.032
  115    HE2  LYS  13           1HE      LYS  13   3.065   0.553 -12.326
  116    HE3  LYS  13           2HE      LYS  13   4.388   1.504 -11.656
  117    HZ1  LYS  13           3HZ      LYS  13   3.065   1.736 -14.270
  118    HZ2  LYS  13           1HZ      LYS  13   4.687   2.212 -14.134
  119    HZ3  LYS  13           2HZ      LYS  13   3.500   2.957 -13.177
  120    H    GLN  14           H        GLN  14   7.980  -2.004 -10.622
  121    HA   GLN  14           HA       GLN  14   9.159  -3.292  -8.351
  122    HB2  GLN  14           1HB      GLN  14  10.115  -2.364 -10.741
  123    HB3  GLN  14           2HB      GLN  14  10.687  -1.127  -9.629
  124    HG2  GLN  14           1HG      GLN  14  11.164  -4.076  -9.300
  125    HG3  GLN  14           2HG      GLN  14  12.308  -2.947 -10.019
  126   HE21  GLN  14          1HE2      GLN  14  11.717  -0.796  -8.188
  127   HE22  GLN  14          2HE2      GLN  14  12.403  -1.241  -6.663
  128    HA   PRO  15           HA       PRO  15   8.156   0.145  -5.677
  129    HB2  PRO  15           1HB      PRO  15   8.967  -1.383  -3.430
  130    HB3  PRO  15           2HB      PRO  15   7.324  -1.099  -3.999
  131    HG2  PRO  15           1HG      PRO  15   8.628  -3.554  -4.013
  132    HG3  PRO  15           2HG      PRO  15   7.195  -3.143  -4.970
  133    HD2  PRO  15           1HD      PRO  15  10.060  -3.247  -5.789
  134    HD3  PRO  15           2HD      PRO  15   8.602  -3.658  -6.718
  135    H    GLY  16           H        GLY  16   9.308   1.761  -4.813
  136    HA2  GLY  16           2HA      GLY  16  12.221   1.424  -4.620
  137    HA3  GLY  16           1HA      GLY  16  11.364   2.960  -4.664
  138    H    VAL  17           H        VAL  17  12.026   3.884  -2.807
  139    HA   VAL  17           HA       VAL  17  11.727   2.378  -0.302
  140    HB   VAL  17           HB       VAL  17  13.840   3.652  -0.675
  141   HG11  VAL  17          1HG1      VAL  17  11.989   6.020  -0.619
  142   HG12  VAL  17          2HG1      VAL  17  13.728   6.138  -0.346
  143   HG13  VAL  17          3HG1      VAL  17  13.116   5.550  -1.892
  144   HG21  VAL  17          3HG2      VAL  17  13.430   5.078   1.576
  145   HG22  VAL  17          1HG2      VAL  17  12.063   3.967   1.645
  146   HG23  VAL  17          2HG2      VAL  17  13.707   3.336   1.545
  147    H    GLN  18           H        GLN  18  10.141   4.532  -2.309
  148    HA   GLN  18           HA       GLN  18   8.763   6.230  -0.585
  149    HB2  GLN  18           1HB      GLN  18   7.580   5.094  -3.107
  150    HB3  GLN  18           2HB      GLN  18   7.336   6.689  -2.412
  151    HG2  GLN  18           1HG      GLN  18   9.934   5.712  -3.568
  152    HG3  GLN  18           2HG      GLN  18   8.745   6.672  -4.443
  153   HE21  GLN  18          1HE2      GLN  18   9.113   8.737  -4.495
  154   HE22  GLN  18          2HE2      GLN  18  10.022   9.660  -3.349
  155    H    THR  19           H        THR  19   6.943   6.038   0.624
  156    HA   THR  19           HA       THR  19   5.823   3.337   0.872
  157    HB   THR  19           HB       THR  19   5.538   5.600   2.849
  158    HG1  THR  19           HG1      THR  19   7.476   5.130   3.567
  159   HG21  THR  19          1HG2      THR  19   5.491   3.194   4.187
  160   HG22  THR  19          2HG2      THR  19   4.617   2.836   2.697
  161   HG23  THR  19          3HG2      THR  19   4.076   4.151   3.740
  162    H    GLY  20           H        GLY  20   3.686   2.928   0.587
  163    HA2  GLY  20           2HA      GLY  20   2.060   4.928  -0.703
  164    HA3  GLY  20           1HA      GLY  20   1.602   3.265  -0.362
  165    H    LEU  21           H        LEU  21   0.476   6.125   0.120
  166    HA   LEU  21           HA       LEU  21   0.052   6.055   3.000
  167    HB2  LEU  21           1HB      LEU  21  -0.781   8.003   0.858
  168    HB3  LEU  21           2HB      LEU  21  -1.261   8.153   2.538
  169    HG   LEU  21           HG       LEU  21   1.591   8.171   1.549
  170   HD11  LEU  21          1HD1      LEU  21   0.027  10.473   2.677
  171   HD12  LEU  21          2HD1      LEU  21   1.599  10.503   1.877
  172   HD13  LEU  21          3HD1      LEU  21   0.142  10.157   0.945
  173   HD21  LEU  21          3HD2      LEU  21   1.857   9.128   3.949
  174   HD22  LEU  21          1HD2      LEU  21   0.327   8.305   4.253
  175   HD23  LEU  21          2HD2      LEU  21   1.732   7.384   3.718
  176    H    LEU  22           H        LEU  22  -1.894   5.798   4.010
  177    HA   LEU  22           HA       LEU  22  -4.117   4.741   2.379
  178    HB2  LEU  22           1HB      LEU  22  -3.517   4.355   5.316
  179    HB3  LEU  22           2HB      LEU  22  -4.948   3.755   4.502
  180    HG   LEU  22           HG       LEU  22  -2.109   2.881   4.080
  181   HD11  LEU  22          1HD1      LEU  22  -2.715   0.883   5.082
  182   HD12  LEU  22          2HD1      LEU  22  -3.581   2.079   6.048
  183   HD13  LEU  22          3HD1      LEU  22  -4.437   1.154   4.814
  184   HD21  LEU  22          3HD2      LEU  22  -2.629   2.199   2.039
  185   HD22  LEU  22          1HD2      LEU  22  -3.969   1.253   2.689
  186   HD23  LEU  22          2HD2      LEU  22  -4.226   2.928   2.203
  187    H    CYS  23           H        CYS  23  -6.037   5.770   2.438
  188    HA   CYS  23           HA       CYS  23  -6.258   8.297   3.791
  189    HB2  CYS  23           1HB      CYS  23  -8.335   8.553   2.731
  190    HB3  CYS  23           2HB      CYS  23  -7.401   7.624   1.567
  191    H    GLU  24           H        GLU  24  -7.751   8.723   5.498
  192    HA   GLU  24           HA       GLU  24  -7.500   7.117   7.682
  193    HB2  GLU  24           1HB      GLU  24  -9.962   8.797   7.275
  194    HB3  GLU  24           2HB      GLU  24  -9.115   8.454   8.778
  195    HG2  GLU  24           1HG      GLU  24  -7.192   9.756   7.949
  196    HG3  GLU  24           2HG      GLU  24  -8.126  10.153   6.507
  197    H    LYS  25           H        LYS  25  -9.982   6.922   5.235
  198    HA   LYS  25           HA       LYS  25 -11.708   5.197   6.668
  199    HB2  LYS  25           1HB      LYS  25 -11.492   5.836   3.733
  200    HB3  LYS  25           2HB      LYS  25 -12.783   4.864   4.434
  201    HG2  LYS  25           1HG      LYS  25 -13.510   6.723   5.785
  202    HG3  LYS  25           2HG      LYS  25 -12.149   7.699   5.232
  203    HD2  LYS  25           1HD      LYS  25 -14.208   6.570   3.357
  204    HD3  LYS  25           2HD      LYS  25 -14.381   8.146   4.131
  205    HE2  LYS  25           1HE      LYS  25 -11.935   7.423   2.557
  206    HE3  LYS  25           2HE      LYS  25 -13.376   8.074   1.778
  207    HZ1  LYS  25           3HZ      LYS  25 -11.613   9.375   3.765
  208    HZ2  LYS  25           1HZ      LYS  25 -13.187   9.938   3.475
  209    HZ3  LYS  25           2HZ      LYS  25 -12.046   9.920   2.220
  210    H    CYS  26           H        CYS  26  -8.876   4.564   4.714
  211    HA   CYS  26           HA       CYS  26  -9.479   1.677   4.845
  212    HB2  CYS  26           1HB      CYS  26  -7.291   3.021   3.243
  213    HB3  CYS  26           2HB      CYS  26  -7.732   1.321   3.193
  214    H    ASP  27           H        ASP  27  -8.068   3.999   6.592
  215    HA   ASP  27           HA       ASP  27  -5.476   3.163   7.136
  216    HB2  ASP  27           1HB      ASP  27  -6.458   5.322   7.860
  217    HB3  ASP  27           2HB      ASP  27  -7.412   4.465   9.064
  218    H    GLY  28           H        GLY  28  -4.852   1.235   7.778
  219    HA2  GLY  28           2HA      GLY  28  -4.691  -0.201   9.788
  220    HA3  GLY  28           1HA      GLY  28  -6.448  -0.137   9.851
  221    H    LYS  29           H        LYS  29  -6.561  -0.301   6.878
  222    HA   LYS  29           HA       LYS  29  -6.781  -3.148   6.709
  223    HB2  LYS  29           1HB      LYS  29  -7.043  -1.001   4.596
  224    HB3  LYS  29           2HB      LYS  29  -7.417  -2.693   4.340
  225    HG2  LYS  29           1HG      LYS  29  -9.213  -2.597   5.920
  226    HG3  LYS  29           2HG      LYS  29  -8.803  -0.927   6.324
  227    HD2  LYS  29           1HD      LYS  29  -9.315  -0.213   4.071
  228    HD3  LYS  29           2HD      LYS  29  -9.610  -1.883   3.580
  229    HE2  LYS  29           1HE      LYS  29 -11.134  -0.703   5.840
  230    HE3  LYS  29           2HE      LYS  29 -11.610  -0.327   4.185
  231    HZ1  LYS  29           3HZ      LYS  29 -11.642  -2.923   5.586
  232    HZ2  LYS  29           1HZ      LYS  29 -11.548  -2.875   3.895
  233    HZ3  LYS  29           2HZ      LYS  29 -12.871  -2.174   4.691
  234    H    CYS  30           H        CYS  30  -5.382  -4.564   5.965
  235    HA   CYS  30           HA       CYS  30  -2.825  -3.779   4.858
  236    HB2  CYS  30           1HB      CYS  30  -2.686  -5.732   6.144
  237    HB3  CYS  30           2HB      CYS  30  -4.193  -6.372   5.502
  238    HA   PRO  31           HA       PRO  31  -4.559  -2.992   0.867
  239    HB2  PRO  31           1HB      PRO  31  -2.152  -3.492  -0.508
  240    HB3  PRO  31           2HB      PRO  31  -2.732  -1.933   0.084
  241    HG2  PRO  31           1HG      PRO  31  -0.794  -3.827   1.319
  242    HG3  PRO  31           2HG      PRO  31  -0.829  -2.055   1.371
  243    HD2  PRO  31           1HD      PRO  31  -1.557  -3.507   3.486
  244    HD3  PRO  31           2HD      PRO  31  -2.429  -2.018   3.060
  245    H    ILE  32           H        ILE  32  -2.566  -5.874   1.311
  246    HA   ILE  32           HA       ILE  32  -3.242  -7.052  -1.149
  247    HB   ILE  32           HB       ILE  32  -2.359  -8.518   1.335
  248   HG12  ILE  32          1HG1      ILE  32  -0.879  -6.558   0.703
  249   HG13  ILE  32          2HG1      ILE  32  -0.083  -8.127   0.707
  250   HG21  ILE  32          1HG2      ILE  32  -1.595  -9.311  -1.425
  251   HG22  ILE  32          2HG2      ILE  32  -1.855 -10.303   0.009
  252   HG23  ILE  32          3HG2      ILE  32  -3.236  -9.654  -0.877
  253   HD11  ILE  32          3HD1      ILE  32   0.062  -6.285  -1.285
  254   HD12  ILE  32          1HD1      ILE  32   0.404  -8.007  -1.461
  255   HD13  ILE  32          2HD1      ILE  32  -1.189  -7.373  -1.885
  256    H    CYS  33           H        CYS  33  -4.625  -7.540   2.110
  257    HA   CYS  33           HA       CYS  33  -6.594  -9.334   0.878
  258    HB2  CYS  33           1HB      CYS  33  -6.881 -10.312   3.130
  259    HB3  CYS  33           2HB      CYS  33  -5.236 -10.450   2.525
  260    H    ASP  34           H        ASP  34  -6.300  -6.353   2.551
  261    HA   ASP  34           HA       ASP  34  -7.785  -4.747   3.136
  262    HB2  ASP  34           1HB      ASP  34  -8.921  -5.403   0.965
  263    HB3  ASP  34           2HB      ASP  34  -9.982  -6.431   1.921
  264    H    SER  35           H        SER  35  -7.165  -5.611   5.245
  265    HA   SER  35           HA       SER  35  -9.471  -6.108   6.868
  266    HB2  SER  35           1HB      SER  35  -8.901  -8.401   6.005
  267    HB3  SER  35           2HB      SER  35  -7.325  -8.250   6.780
  268    HG   SER  35           HG       SER  35  -9.881  -8.282   8.023
  269    H    TYR  36           H        TYR  36  -9.073  -5.656   9.048
  270    HA   TYR  36           HA       TYR  36  -6.655  -4.139   9.569
  271    HB2  TYR  36           1HB      TYR  36  -9.107  -4.695  11.255
  272    HB3  TYR  36           2HB      TYR  36  -7.746  -3.732  11.808
  273    HD1  TYR  36           HD1      TYR  36  -9.641  -3.801   8.577
  274    HD2  TYR  36           HD2      TYR  36  -8.381  -1.519  11.939
  275    HE1  TYR  36           HE1      TYR  36 -10.684  -1.804   7.604
  276    HE2  TYR  36           HE2      TYR  36  -9.418   0.488  10.969
  277    HH   TYR  36           HH       TYR  36 -10.380   1.372   9.153
  278    H    VAL  37           H        VAL  37  -6.126  -6.810   9.103
  279    HA   VAL  37           HA       VAL  37  -5.713  -8.117  11.661
  280    HB   VAL  37           HB       VAL  37  -6.462  -9.473   9.779
  281   HG11  VAL  37          1HG1      VAL  37  -4.045  -8.349   8.464
  282   HG12  VAL  37          2HG1      VAL  37  -4.589  -9.970   8.025
  283   HG13  VAL  37          3HG1      VAL  37  -5.673  -8.590   7.827
  284   HG21  VAL  37          3HG2      VAL  37  -5.436 -11.032  10.990
  285   HG22  VAL  37          1HG2      VAL  37  -4.147 -10.946   9.790
  286   HG23  VAL  37          2HG2      VAL  37  -4.029 -10.008  11.280
  287    H    ARG  38           H        ARG  38  -3.644  -8.780  12.378
  288    HA   ARG  38           HA       ARG  38  -1.934  -6.857  12.935
  289    HB2  ARG  38           1HB      ARG  38  -1.063  -9.700  12.438
  290    HB3  ARG  38           2HB      ARG  38  -0.195  -8.521  13.407
  291    HG2  ARG  38           1HG      ARG  38  -2.886  -9.727  13.992
  292    HG3  ARG  38           2HG      ARG  38  -1.373 -10.010  14.856
  293    HD2  ARG  38           1HD      ARG  38  -2.346  -8.468  16.244
  294    HD3  ARG  38           2HD      ARG  38  -1.454  -7.395  15.167
  295    HE   ARG  38           HE       ARG  38  -4.127  -7.925  14.261
  296   HH11  ARG  38          2HH1      ARG  38  -2.149  -5.885  16.309
  297   HH12  ARG  38          1HH1      ARG  38  -3.353  -4.635  16.442
  298   HH21  ARG  38          2HH2      ARG  38  -5.684  -6.268  14.391
  299   HH22  ARG  38          1HH2      ARG  38  -5.358  -4.838  15.325
  300    HA   PRO  39           HA       PRO  39   0.242  -5.970   9.078
  301    HB2  PRO  39           1HB      PRO  39   0.966  -3.488   9.758
  302    HB3  PRO  39           2HB      PRO  39  -0.692  -3.860   9.275
  303    HG2  PRO  39           1HG      PRO  39   0.435  -3.419  12.002
  304    HG3  PRO  39           2HG      PRO  39  -1.132  -2.924  11.341
  305    HD2  PRO  39           1HD      PRO  39  -0.690  -5.149  12.948
  306    HD3  PRO  39           2HD      PRO  39  -2.107  -4.895  11.913
  307    H    LYS  40           H        LYS  40   2.482  -5.870   8.595
  308    HA   LYS  40           HA       LYS  40   4.306  -5.843  10.889
  309    HB2  LYS  40           1HB      LYS  40   3.688  -8.204  10.389
  310    HB3  LYS  40           2HB      LYS  40   4.362  -8.000   8.777
  311    HG2  LYS  40           1HG      LYS  40   6.559  -7.630   9.682
  312    HG3  LYS  40           2HG      LYS  40   5.926  -7.662  11.328
  313    HD2  LYS  40           1HD      LYS  40   5.180 -10.010  10.919
  314    HD3  LYS  40           2HD      LYS  40   6.008  -9.946   9.362
  315    HE2  LYS  40           1HE      LYS  40   7.408 -11.016  11.047
  316    HE3  LYS  40           2HE      LYS  40   8.129  -9.500  10.506
  317    HZ1  LYS  40           3HZ      LYS  40   8.096  -9.964  12.992
  318    HZ2  LYS  40           1HZ      LYS  40   6.435  -9.637  12.927
  319    HZ3  LYS  40           2HZ      LYS  40   7.556  -8.439  12.488
  320    H    ARG  41           H        ARG  41   4.336  -6.287   7.333
  321    HA   ARG  41           HA       ARG  41   6.824  -4.774   7.200
  322    HB2  ARG  41           1HB      ARG  41   5.255  -6.372   5.194
  323    HB3  ARG  41           2HB      ARG  41   6.548  -5.298   4.685
  324    HG2  ARG  41           1HG      ARG  41   6.859  -7.588   6.612
  325    HG3  ARG  41           2HG      ARG  41   7.278  -7.628   4.898
  326    HD2  ARG  41           1HD      ARG  41   8.719  -5.538   5.500
  327    HD3  ARG  41           2HD      ARG  41   8.591  -6.162   7.144
  328    HE   ARG  41           HE       ARG  41   9.391  -8.209   5.337
  329   HH11  ARG  41          2HH1      ARG  41  10.568  -5.473   7.177
  330   HH12  ARG  41          1HH1      ARG  41  12.241  -5.955   7.061
  331   HH21  ARG  41          2HH2      ARG  41  11.589  -8.853   5.195
  332   HH22  ARG  41          1HH2      ARG  41  12.813  -7.874   5.941
  333    H    LYS  42           H        LYS  42   6.997  -2.706   6.533
  334    HA   LYS  42           HA       LYS  42   4.626  -1.155   6.037
  335    HB2  LYS  42           1HB      LYS  42   6.682  -0.241   7.148
  336    HB3  LYS  42           2HB      LYS  42   7.514  -0.359   5.604
  337    HG2  LYS  42           1HG      LYS  42   5.943   1.212   4.616
  338    HG3  LYS  42           2HG      LYS  42   5.065   1.306   6.140
  339    HD2  LYS  42           1HD      LYS  42   7.939   2.117   5.722
  340    HD3  LYS  42           2HD      LYS  42   6.565   3.221   5.824
  341    HE2  LYS  42           1HE      LYS  42   6.107   2.266   8.104
  342    HE3  LYS  42           2HE      LYS  42   7.646   1.418   7.979
  343    HZ1  LYS  42           3HZ      LYS  42   8.179   4.048   7.347
  344    HZ2  LYS  42           1HZ      LYS  42   8.597   3.237   8.774
  345    HZ3  LYS  42           2HZ      LYS  42   7.145   4.113   8.689
  346    H    VAL  43           H        VAL  43   3.795  -0.514   4.090
  347    HA   VAL  43           HA       VAL  43   4.479  -2.098   1.843
  348    HB   VAL  43           HB       VAL  43   2.785  -0.868   0.613
  349   HG11  VAL  43          1HG1      VAL  43   1.012  -1.780   1.700
  350   HG12  VAL  43          2HG1      VAL  43   2.323  -2.578   2.566
  351   HG13  VAL  43          3HG1      VAL  43   1.523  -1.178   3.279
  352   HG21  VAL  43          3HG2      VAL  43   2.074   0.832   2.929
  353   HG22  VAL  43          1HG2      VAL  43   3.461   1.322   1.953
  354   HG23  VAL  43          2HG2      VAL  43   1.878   1.124   1.200
  355    H    ARG  44           H        ARG  44   5.517  -1.640  -0.022
  356    HA   ARG  44           HA       ARG  44   6.844   0.979  -0.163
  357    HB2  ARG  44           1HB      ARG  44   7.838  -1.761  -0.771
  358    HB3  ARG  44           2HB      ARG  44   8.379  -0.454  -1.817
  359    HG2  ARG  44           1HG      ARG  44   9.991  -0.773  -0.079
  360    HG3  ARG  44           2HG      ARG  44   9.170   0.763   0.188
  361    HD2  ARG  44           1HD      ARG  44   7.625  -0.584   1.750
  362    HD3  ARG  44           2HD      ARG  44   8.891  -1.811   1.698
  363    HE   ARG  44           HE       ARG  44  10.177  -0.502   3.061
  364   HH11  ARG  44          2HH1      ARG  44   7.504   1.406   1.841
  365   HH12  ARG  44          1HH1      ARG  44   7.975   2.858   2.673
  366   HH21  ARG  44          2HH2      ARG  44  10.816   1.421   4.161
  367   HH22  ARG  44          1HH2      ARG  44   9.862   2.866   3.977
  368    H    VAL  45           H        VAL  45   5.953   2.222  -1.631
  369    HA   VAL  45           HA       VAL  45   4.377   1.079  -3.763
  370    HB   VAL  45           HB       VAL  45   3.958   3.275  -2.344
  371   HG11  VAL  45          1HG1      VAL  45   5.967   4.442  -3.054
  372   HG12  VAL  45          2HG1      VAL  45   5.411   4.373  -4.726
  373   HG13  VAL  45          3HG1      VAL  45   4.506   5.307  -3.533
  374   HG21  VAL  45          3HG2      VAL  45   2.607   4.136  -4.309
  375   HG22  VAL  45          1HG2      VAL  45   3.235   2.730  -5.168
  376   HG23  VAL  45          2HG2      VAL  45   2.278   2.514  -3.704
  377    H    CYS  46           H        CYS  46   4.815   1.423  -5.961
  378    HA   CYS  46           HA       CYS  46   7.598   1.386  -6.624
  379    HB2  CYS  46           1HB      CYS  46   6.975   0.959  -8.831
  380    HB3  CYS  46           2HB      CYS  46   5.634   0.267  -7.932
  381    H    GLU  47           H        GLU  47   8.769   2.974  -7.689
  382    HA   GLU  47           HA       GLU  47   8.407   5.582  -6.787
  383    HB2  GLU  47           1HB      GLU  47  10.555   4.620  -7.531
  384    HB3  GLU  47           2HB      GLU  47   9.983   4.656  -9.191
  385    HG2  GLU  47           1HG      GLU  47   9.839   7.077  -9.106
  386    HG3  GLU  47           2HG      GLU  47  10.380   7.058  -7.429
  387    H    ASN  48           H        ASN  48   7.222   3.959  -9.588
  388    HA   ASN  48           HA       ASN  48   6.453   6.145 -11.171
  389    HB2  ASN  48           1HB      ASN  48   5.526   3.290 -10.951
  390    HB3  ASN  48           2HB      ASN  48   4.710   4.426 -12.015
  391   HD21  ASN  48          1HD2      ASN  48   7.461   2.456 -11.533
  392   HD22  ASN  48          2HD2      ASN  48   8.251   2.805 -13.035
  393    H    CYS  49           H        CYS  49   4.968   4.681  -8.340
  394    HA   CYS  49           HA       CYS  49   2.625   6.438  -8.615
  395    HB2  CYS  49           1HB      CYS  49   3.207   4.238  -6.616
  396    HB3  CYS  49           2HB      CYS  49   1.781   5.271  -6.575
  397    H    SER  50           H        SER  50   5.192   7.584  -8.141
  398    HA   SER  50           HA       SER  50   4.622   8.836  -5.561
  399    HB2  SER  50           1HB      SER  50   6.373   7.056  -5.268
  400    HB3  SER  50           2HB      SER  50   7.414   7.983  -6.351
  401    HG   SER  50           HG       SER  50   6.518   8.596  -3.753
  402    H    PHE  51           H        PHE  51   6.783   9.004  -8.427
  403    HA   PHE  51           HA       PHE  51   7.170  11.804  -8.098
  404    HB2  PHE  51           1HB      PHE  51   8.122  11.745 -10.411
  405    HB3  PHE  51           2HB      PHE  51   8.875  10.638  -9.280
  406    HD1  PHE  51           HD1      PHE  51   5.955  10.479 -11.634
  407    HD2  PHE  51           HD2      PHE  51   9.559   8.707 -10.238
  408    HE1  PHE  51           HE1      PHE  51   5.683   8.653 -13.257
  409    HE2  PHE  51           HE2      PHE  51   9.291   6.873 -11.857
  410    HZ   PHE  51           HZ       PHE  51   7.351   6.849 -13.371
  411    H    GLY  52           H        GLY  52   6.162  13.522  -8.964
  412    HA2  GLY  52           2HA      GLY  52   4.571  14.184 -10.878
  413    HA3  GLY  52           1HA      GLY  52   3.555  12.921 -10.197
  414    H    LYS  53           H        LYS  53   1.875  13.978  -9.343
  415    HA   LYS  53           HA       LYS  53   2.354  15.693  -7.060
  416    HB2  LYS  53           1HB      LYS  53   0.836  17.496  -8.054
  417    HB3  LYS  53           2HB      LYS  53   2.487  17.421  -8.654
  418    HG2  LYS  53           1HG      LYS  53   1.697  16.198 -10.629
  419    HG3  LYS  53           2HG      LYS  53   0.043  16.313 -10.024
  420    HD2  LYS  53           1HD      LYS  53   0.101  18.715 -10.181
  421    HD3  LYS  53           2HD      LYS  53   1.808  18.683 -10.625
  422    HE2  LYS  53           1HE      LYS  53   0.360  19.029 -12.577
  423    HE3  LYS  53           2HE      LYS  53   1.280  17.530 -12.691
  424    HZ1  LYS  53           3HZ      LYS  53  -0.578  16.251 -12.389
  425    HZ2  LYS  53           1HZ      LYS  53  -1.245  17.553 -13.244
  426    HZ3  LYS  53           2HZ      LYS  53  -1.436  17.460 -11.560
  427    H    GLN  54           H        GLN  54   1.002  13.124  -7.714
  428    HA   GLN  54           HA       GLN  54  -1.467  13.684  -6.275
  429    HB2  GLN  54           1HB      GLN  54  -1.448  12.246  -8.938
  430    HB3  GLN  54           2HB      GLN  54  -2.823  12.304  -7.840
  431    HG2  GLN  54           1HG      GLN  54  -2.995  14.672  -8.093
  432    HG3  GLN  54           2HG      GLN  54  -1.511  14.715  -9.043
  433   HE21  GLN  54          1HE2      GLN  54  -1.842  14.947 -11.107
  434   HE22  GLN  54          2HE2      GLN  54  -3.192  14.360 -12.010
  435    H    ALA  55           H        ALA  55   1.029  12.431  -5.650
  436    HA   ALA  55           HA       ALA  55   0.408   9.579  -5.573
  437    HB1  ALA  55           3HB      ALA  55   2.697  10.936  -6.080
  438    HB2  ALA  55           1HB      ALA  55   2.912  10.495  -4.384
  439    HB3  ALA  55           2HB      ALA  55   2.613   9.242  -5.590
  440    H    LYS  56           H        LYS  56  -0.307  12.151  -3.706
  441    HA   LYS  56           HA       LYS  56   0.318  11.068  -1.110
  442    HB2  LYS  56           1HB      LYS  56  -1.364  13.402  -2.005
  443    HB3  LYS  56           2HB      LYS  56  -1.305  12.889  -0.327
  444    HG2  LYS  56           1HG      LYS  56   0.241  14.608  -0.431
  445    HG3  LYS  56           2HG      LYS  56   1.236  13.157  -0.538
  446    HD2  LYS  56           1HD      LYS  56   1.972  14.830  -2.146
  447    HD3  LYS  56           2HD      LYS  56   1.333  13.408  -2.974
  448    HE2  LYS  56           1HE      LYS  56   0.563  15.481  -4.021
  449    HE3  LYS  56           2HE      LYS  56  -0.777  14.553  -3.354
  450    HZ1  LYS  56           3HZ      LYS  56  -1.034  16.045  -1.599
  451    HZ2  LYS  56           1HZ      LYS  56  -0.748  17.044  -2.938
  452    HZ3  LYS  56           2HZ      LYS  56   0.497  16.742  -1.823
  453    H    ASN  57           H        ASN  57  -2.213  10.743  -3.411
  454    HA   ASN  57           HA       ASN  57  -4.352  10.171  -1.730
  455    HB2  ASN  57           1HB      ASN  57  -3.865   9.036  -4.485
  456    HB3  ASN  57           2HB      ASN  57  -5.390   8.983  -3.620
  457   HD21  ASN  57          1HD2      ASN  57  -3.847  10.519  -6.009
  458   HD22  ASN  57          2HD2      ASN  57  -4.626  12.063  -5.936
  459    H    CYS  58           H        CYS  58  -5.358   8.296  -1.195
  460    HA   CYS  58           HA       CYS  58  -3.830   6.361   0.099
  461    HB2  CYS  58           1HB      CYS  58  -6.057   7.009   0.757
  462    HB3  CYS  58           2HB      CYS  58  -6.711   6.464  -0.775
  463    H    ILE  59           H        ILE  59  -2.989   4.501  -0.533
  464    HA   ILE  59           HA       ILE  59  -2.957   3.799  -3.285
  465    HB   ILE  59           HB       ILE  59  -1.607   1.838  -2.522
  466   HG12  ILE  59          1HG1      ILE  59  -2.106   3.080   0.198
  467   HG13  ILE  59          2HG1      ILE  59  -2.587   1.470  -0.324
  468   HG21  ILE  59          1HG2      ILE  59  -1.013   4.588  -2.526
  469   HG22  ILE  59          2HG2      ILE  59  -0.157   3.887  -1.150
  470   HG23  ILE  59          3HG2      ILE  59   0.096   3.238  -2.773
  471   HD11  ILE  59          3HD1      ILE  59   0.179   1.598  -0.701
  472   HD12  ILE  59          1HD1      ILE  59  -0.135   2.349   0.865
  473   HD13  ILE  59          2HD1      ILE  59  -0.702   0.710   0.541
  474    H    ILE  60           H        ILE  60  -4.720   2.591  -0.507
  475    HA   ILE  60           HA       ILE  60  -5.469   0.132  -1.686
  476    HB   ILE  60           HB       ILE  60  -6.493   1.615   0.715
  477   HG12  ILE  60          1HG1      ILE  60  -4.981  -0.970   0.292
  478   HG13  ILE  60          2HG1      ILE  60  -4.335   0.534   0.938
  479   HG21  ILE  60          1HG2      ILE  60  -7.658  -0.810  -0.591
  480   HG22  ILE  60          2HG2      ILE  60  -7.692  -0.651   1.165
  481   HG23  ILE  60          3HG2      ILE  60  -8.474   0.565   0.154
  482   HD11  ILE  60          3HD1      ILE  60  -5.695   0.315   2.912
  483   HD12  ILE  60          1HD1      ILE  60  -6.472  -1.124   2.251
  484   HD13  ILE  60          2HD1      ILE  60  -4.757  -1.157   2.665
  485    H    CYS  61           H        CYS  61  -7.344   3.201  -1.336
  486    HA   CYS  61           HA       CYS  61  -9.294   1.947  -3.108
  487    HB2  CYS  61           1HB      CYS  61 -10.885   3.677  -2.428
  488    HB3  CYS  61           2HB      CYS  61 -10.267   2.788  -1.041
  489    H    ASN  62           H        ASN  62  -6.691   4.007  -3.177
  490    HA   ASN  62           HA       ASN  62  -5.701   5.208  -4.808
  491    HB2  ASN  62           1HB      ASN  62  -5.910   4.239  -6.810
  492    HB3  ASN  62           2HB      ASN  62  -7.197   3.279  -6.108
  493   HD21  ASN  62          1HD2      ASN  62  -9.148   3.410  -6.931
  494   HD22  ASN  62          2HD2      ASN  62  -9.664   4.547  -8.119
  495    H    LEU  63           H        LEU  63  -9.045   5.731  -4.311
  496    HA   LEU  63           HA       LEU  63  -9.352   8.023  -5.896
  497    HB2  LEU  63           1HB      LEU  63 -10.884   6.229  -4.411
  498    HB3  LEU  63           2HB      LEU  63 -11.242   7.802  -3.736
  499    HG   LEU  63           HG       LEU  63 -12.859   7.336  -5.437
  500   HD11  LEU  63          1HD1      LEU  63 -10.766   9.321  -6.264
  501   HD12  LEU  63          2HD1      LEU  63 -12.274   9.119  -7.157
  502   HD13  LEU  63          3HD1      LEU  63 -12.311   9.619  -5.466
  503   HD21  LEU  63          3HD2      LEU  63 -11.961   5.660  -6.758
  504   HD22  LEU  63          1HD2      LEU  63 -11.949   7.052  -7.842
  505   HD23  LEU  63          2HD2      LEU  63 -10.461   6.544  -7.041
  506    H    ASN  64           H        ASN  64  -9.422   7.734  -2.359
  507    HA   ASN  64           HA       ASN  64  -9.347  10.620  -2.140
  508    HB2  ASN  64           1HB      ASN  64  -9.793   8.430  -0.111
  509    HB3  ASN  64           2HB      ASN  64  -9.723  10.134   0.318
  510   HD21  ASN  64          1HD2      ASN  64 -11.022   9.953  -2.703
  511   HD22  ASN  64          2HD2      ASN  64 -12.702   9.944  -2.291
  512    H    VAL  65           H        VAL  65  -7.881  11.786  -0.851
  513    HA   VAL  65           HA       VAL  65  -5.182  11.006  -1.082
  514    HB   VAL  65           HB       VAL  65  -6.237  13.110   0.808
  515   HG11  VAL  65          1HG1      VAL  65  -3.818  13.792  -0.553
  516   HG12  VAL  65          2HG1      VAL  65  -4.105  13.595   1.175
  517   HG13  VAL  65          3HG1      VAL  65  -3.640  12.205   0.193
  518   HG21  VAL  65          3HG2      VAL  65  -5.780  14.671  -1.161
  519   HG22  VAL  65          1HG2      VAL  65  -5.836  13.221  -2.166
  520   HG23  VAL  65          2HG2      VAL  65  -7.249  13.696  -1.223
  521    H    GLY  66           H        GLY  66  -3.790  10.050   0.325
  522    HA2  GLY  66           2HA      GLY  66  -4.975   8.600   2.523
  523    HA3  GLY  66           1HA      GLY  66  -3.324   8.457   1.938
  524    H    VAL  67           H        VAL  67  -2.973   8.352   4.316
  525    HA   VAL  67           HA       VAL  67  -2.011  10.893   5.228
  526    HB   VAL  67           HB       VAL  67  -4.308  11.121   5.938
  527   HG11  VAL  67          1HG1      VAL  67  -4.859   8.708   6.053
  528   HG12  VAL  67          2HG1      VAL  67  -4.001   8.638   7.593
  529   HG13  VAL  67          3HG1      VAL  67  -5.437   9.649   7.429
  530   HG21  VAL  67          3HG2      VAL  67  -2.115  11.465   7.517
  531   HG22  VAL  67          1HG2      VAL  67  -3.731  12.073   7.875
  532   HG23  VAL  67          2HG2      VAL  67  -3.190  10.543   8.566
  533    H    ASN  68           H        ASN  68  -2.863   7.616   6.323
  534    HA   ASN  68           HA       ASN  68  -0.304   7.543   7.779
  535    HB2  ASN  68           1HB      ASN  68  -2.819   5.904   8.101
  536    HB3  ASN  68           2HB      ASN  68  -1.308   5.512   8.916
  537   HD21  ASN  68          1HD2      ASN  68  -4.131   6.681   9.613
  538   HD22  ASN  68          2HD2      ASN  68  -3.738   7.947  10.727
  539    H    ASP  69           H        ASP  69   1.234   6.040   7.380
  540    HA   ASP  69           HA       ASP  69   1.337   4.902   4.781
  541    HB2  ASP  69           1HB      ASP  69   3.092   4.404   7.203
  542    HB3  ASP  69           2HB      ASP  69   3.465   3.881   5.564
  543    H    ALA  70           H        ALA  70   0.907   2.924   4.042
  544    HA   ALA  70           HA       ALA  70  -0.655   1.151   5.666
  545    HB1  ALA  70           3HB      ALA  70  -0.173  -0.229   3.357
  546    HB2  ALA  70           1HB      ALA  70  -1.505   0.901   3.616
  547    HB3  ALA  70           2HB      ALA  70  -0.021   1.451   2.833
  548    H    PHE  71           H        PHE  71  -0.262  -1.053   6.053
  549    HA   PHE  71           HA       PHE  71   2.495  -1.992   5.747
  550    HB2  PHE  71           1HB      PHE  71   0.869  -1.987   8.278
  551    HB3  PHE  71           2HB      PHE  71   2.092  -3.219   8.001
  552    HD1  PHE  71           HD1      PHE  71   1.861   0.511   7.679
  553    HD2  PHE  71           HD2      PHE  71   4.067  -2.858   9.049
  554    HE1  PHE  71           HE1      PHE  71   3.579   2.012   8.595
  555    HE2  PHE  71           HE2      PHE  71   5.784  -1.363   9.976
  556    HZ   PHE  71           HZ       PHE  71   5.540   1.075   9.751
  557    H    TYR  72           H        TYR  72   2.631  -4.065   5.054
  558    HA   TYR  72           HA       TYR  72   0.239  -5.507   4.320
  559    HB2  TYR  72           1HB      TYR  72   3.052  -6.612   4.417
  560    HB3  TYR  72           2HB      TYR  72   1.690  -7.239   3.504
  561    HD1  TYR  72           HD1      TYR  72   0.859  -5.926   1.510
  562    HD2  TYR  72           HD2      TYR  72   4.508  -5.021   3.501
  563    HE1  TYR  72           HE1      TYR  72   1.648  -4.735  -0.491
  564    HE2  TYR  72           HE2      TYR  72   5.301  -3.814   1.514
  565    HH   TYR  72           HH       TYR  72   3.690  -4.004  -1.520
  566    H    CYS  73           H        CYS  73  -0.759  -7.068   5.496
  567    HA   CYS  73           HA       CYS  73  -0.071  -7.377   8.232
  568    HB2  CYS  73           1HB      CYS  73  -2.013  -8.645   8.466
  569    HB3  CYS  73           2HB      CYS  73  -2.404  -7.539   7.156
  570    H    TRP  74           H        TRP  74   0.357  -9.404   9.304
  571    HA   TRP  74           HA       TRP  74   2.669 -10.638   8.404
  572    HB2  TRP  74           1HB      TRP  74   1.653 -10.553  10.764
  573    HB3  TRP  74           2HB      TRP  74   0.731 -11.958  10.268
  574    HD1  TRP  74           HD1      TRP  74   2.106 -13.034  12.417
  575    HE1  TRP  74           HE1      TRP  74   4.335 -14.321  12.432
  576    HE3  TRP  74           HE3      TRP  74   3.908 -11.504   7.929
  577    HZ2  TRP  74           HZ2      TRP  74   6.564 -14.643  10.738
  578    HZ3  TRP  74           HZ3      TRP  74   6.106 -12.339   7.177
  579    HH2  TRP  74           HH2      TRP  74   7.405 -13.878   8.560
  580    H    GLU  75           H        GLU  75  -0.693 -11.733   8.115
  581    HA   GLU  75           HA       GLU  75  -0.170 -14.279   7.132
  582    HB2  GLU  75           1HB      GLU  75  -2.483 -12.409   6.662
  583    HB3  GLU  75           2HB      GLU  75  -2.450 -14.044   6.014
  584    HG2  GLU  75           1HG      GLU  75  -2.372 -14.986   8.204
  585    HG3  GLU  75           2HG      GLU  75  -2.171 -13.394   8.934
  586    H    CYS  76           H        CYS  76  -0.751 -11.311   5.240
  587    HA   CYS  76           HA       CYS  76  -0.317 -12.542   2.727
  588    HB2  CYS  76           1HB      CYS  76  -0.137  -9.643   3.552
  589    HB3  CYS  76           2HB      CYS  76  -0.025 -10.198   1.887
  590    H    CYS  77           H        CYS  77   1.803 -10.909   4.998
  591    HA   CYS  77           HA       CYS  77   4.078 -10.772   3.321
  592    HB2  CYS  77           1HB      CYS  77   3.744  -9.447   5.419
  593    HB3  CYS  77           2HB      CYS  77   4.011 -10.922   6.342
  594    HG   CYS  77           HG       CYS  77   6.317  -9.494   4.259
  595    H    ARG  78           H        ARG  78   2.939 -13.158   5.654
  596    HA   ARG  78           HA       ARG  78   5.195 -14.863   5.534
  597    HB2  ARG  78           1HB      ARG  78   3.509 -14.884   7.354
  598    HB3  ARG  78           2HB      ARG  78   2.330 -15.546   6.230
  599    HG2  ARG  78           1HG      ARG  78   3.162 -17.337   7.540
  600    HG3  ARG  78           2HG      ARG  78   3.849 -17.506   5.922
  601    HD2  ARG  78           1HD      ARG  78   5.924 -16.482   6.691
  602    HD3  ARG  78           2HD      ARG  78   5.237 -16.278   8.301
  603    HE   ARG  78           HE       ARG  78   6.432 -18.621   7.236
  604   HH11  ARG  78          2HH1      ARG  78   3.793 -17.597   9.325
  605   HH12  ARG  78          1HH1      ARG  78   3.807 -19.059  10.264
  606   HH21  ARG  78          2HH2      ARG  78   6.450 -20.532   8.482
  607   HH22  ARG  78          1HH2      ARG  78   5.320 -20.720   9.793
  608    H    LEU  79           H        LEU  79   2.047 -14.937   3.900
  609    HA   LEU  79           HA       LEU  79   2.471 -17.314   2.456
  610    HB2  LEU  79           1HB      LEU  79   0.578 -15.043   2.307
  611    HB3  LEU  79           2HB      LEU  79   0.745 -16.018   0.860
  612    HG   LEU  79           HG       LEU  79   0.087 -18.018   2.091
  613   HD11  LEU  79          1HD1      LEU  79   0.506 -18.058   4.277
  614   HD12  LEU  79          2HD1      LEU  79   0.546 -16.299   4.392
  615   HD13  LEU  79          3HD1      LEU  79  -0.995 -17.152   4.459
  616   HD21  LEU  79          3HD2      LEU  79  -1.628 -16.613   1.042
  617   HD22  LEU  79          1HD2      LEU  79  -2.233 -17.443   2.476
  618   HD23  LEU  79          2HD2      LEU  79  -1.817 -15.731   2.558
  619    H    GLY  80           H        GLY  80   3.392 -14.013   1.829
  620    HA2  GLY  80           2HA      GLY  80   5.194 -13.436   0.403
  621    HA3  GLY  80           1HA      GLY  80   4.937 -14.930  -0.487
  622    H    LYS  81           H        LYS  81   2.651 -12.386   0.436
  623    HA   LYS  81           HA       LYS  81   1.944 -12.110  -2.402
  624    HB2  LYS  81           1HB      LYS  81   0.416 -11.332   0.090
  625    HB3  LYS  81           2HB      LYS  81  -0.134 -11.036  -1.554
  626    HG2  LYS  81           1HG      LYS  81  -0.116 -13.468  -1.965
  627    HG3  LYS  81           2HG      LYS  81   0.337 -13.721  -0.278
  628    HD2  LYS  81           1HD      LYS  81  -1.720 -12.688   0.464
  629    HD3  LYS  81           2HD      LYS  81  -2.162 -12.309  -1.201
  630    HE2  LYS  81           1HE      LYS  81  -1.849 -15.063  -0.009
  631    HE3  LYS  81           2HE      LYS  81  -3.366 -14.273  -0.435
  632    HZ1  LYS  81           3HZ      LYS  81  -2.068 -14.139  -2.754
  633    HZ2  LYS  81           1HZ      LYS  81  -3.094 -15.422  -2.331
  634    HZ3  LYS  81           2HZ      LYS  81  -1.414 -15.579  -2.140
  635    H    ASP  82           H        ASP  82   3.310 -10.516   0.301
  636    HA   ASP  82           HA       ASP  82   3.020  -7.819  -0.600
  637    HB2  ASP  82           1HB      ASP  82   4.719  -7.278   1.103
  638    HB3  ASP  82           2HB      ASP  82   3.433  -8.280   1.763
  639    H    LYS  83           H        LYS  83   5.160 -10.414  -1.291
  640    HA   LYS  83           HA       LYS  83   7.420  -9.019  -2.180
  641    HB2  LYS  83           1HB      LYS  83   8.054 -11.064  -3.308
  642    HB3  LYS  83           2HB      LYS  83   7.347 -11.461  -1.746
  643    HG2  LYS  83           1HG      LYS  83   5.390 -12.273  -2.693
  644    HG3  LYS  83           2HG      LYS  83   5.675 -11.446  -4.225
  645    HD2  LYS  83           1HD      LYS  83   7.652 -12.953  -4.555
  646    HD3  LYS  83           2HD      LYS  83   7.110 -13.859  -3.138
  647    HE2  LYS  83           1HE      LYS  83   6.337 -14.884  -5.226
  648    HE3  LYS  83           2HE      LYS  83   4.991 -14.333  -4.228
  649    HZ1  LYS  83           3HZ      LYS  83   4.597 -12.518  -5.635
  650    HZ2  LYS  83           1HZ      LYS  83   4.884 -13.816  -6.688
  651    HZ3  LYS  83           2HZ      LYS  83   6.099 -12.665  -6.412
  652    H    ASP  84           H        ASP  84   4.372  -9.665  -3.703
  653    HA   ASP  84           HA       ASP  84   4.975  -9.625  -6.357
  654    HB2  ASP  84           1HB      ASP  84   2.545  -8.511  -4.954
  655    HB3  ASP  84           2HB      ASP  84   2.661  -8.661  -6.704
  656    H    GLY  85           H        GLY  85   4.299  -6.762  -4.349
  657    HA2  GLY  85           2HA      GLY  85   6.227  -5.150  -4.953
  658    HA3  GLY  85           1HA      GLY  85   5.404  -5.094  -6.500
  659    H    CYS  86           H        CYS  86   4.821  -3.074  -6.559
  660    HA   CYS  86           HA       CYS  86   4.016  -1.378  -4.553
  661    HB2  CYS  86           1HB      CYS  86   4.689  -0.760  -6.851
  662    HB3  CYS  86           2HB      CYS  86   3.168  -1.396  -7.457
  663    HA   PRO  87           HA       PRO  87  -0.036  -3.153  -3.719
  664    HB2  PRO  87           1HB      PRO  87  -0.489  -1.893  -1.405
  665    HB3  PRO  87           2HB      PRO  87   0.731  -3.168  -1.532
  666    HG2  PRO  87           1HG      PRO  87   1.090  -0.193  -1.547
  667    HG3  PRO  87           2HG      PRO  87   2.028  -1.426  -0.685
  668    HD2  PRO  87           1HD      PRO  87   2.808  -0.290  -3.055
  669    HD3  PRO  87           2HD      PRO  87   3.308  -1.907  -2.522
  670    H    ARG  88           H        ARG  88   0.452  -0.526  -5.295
  671    HA   ARG  88           HA       ARG  88  -1.707   1.188  -4.538
  672    HB2  ARG  88           1HB      ARG  88   0.507   1.201  -6.380
  673    HB3  ARG  88           2HB      ARG  88  -0.965   1.700  -7.199
  674    HG2  ARG  88           1HG      ARG  88  -0.175   2.907  -4.583
  675    HG3  ARG  88           2HG      ARG  88   0.504   3.481  -6.107
  676    HD2  ARG  88           1HD      ARG  88  -1.818   3.805  -6.943
  677    HD3  ARG  88           2HD      ARG  88  -2.402   3.380  -5.335
  678    HE   ARG  88           HE       ARG  88  -0.589   5.419  -4.961
  679   HH11  ARG  88          2HH1      ARG  88  -3.607   4.999  -6.707
  680   HH12  ARG  88          1HH1      ARG  88  -4.060   6.667  -6.569
  681   HH21  ARG  88          2HH2      ARG  88  -1.194   7.591  -4.763
  682   HH22  ARG  88          1HH2      ARG  88  -2.680   8.145  -5.465
  683    H    ILE  89           H        ILE  89  -3.783   0.891  -5.005
  684    HA   ILE  89           HA       ILE  89  -4.608  -1.043  -7.000
  685    HB   ILE  89           HB       ILE  89  -6.100   0.720  -5.077
  686   HG12  ILE  89          1HG1      ILE  89  -5.209  -1.421  -4.267
  687   HG13  ILE  89          2HG1      ILE  89  -6.971  -1.433  -4.278
  688   HG21  ILE  89          1HG2      ILE  89  -7.205  -0.665  -7.493
  689   HG22  ILE  89          2HG2      ILE  89  -8.191  -0.425  -6.050
  690   HG23  ILE  89          3HG2      ILE  89  -7.520   0.966  -6.897
  691   HD11  ILE  89          3HD1      ILE  89  -6.278  -3.537  -5.085
  692   HD12  ILE  89          1HD1      ILE  89  -6.822  -2.633  -6.498
  693   HD13  ILE  89          2HD1      ILE  89  -5.098  -2.814  -6.177
  694    H    LEU  90           H        LEU  90  -5.154  -0.602  -9.026
  695    HA   LEU  90           HA       LEU  90  -6.061   1.949  -9.917
  696    HB2  LEU  90           1HB      LEU  90  -4.055   2.024 -11.628
  697    HB3  LEU  90           2HB      LEU  90  -3.951   2.800 -10.062
  698    HG   LEU  90           HG       LEU  90  -2.789   0.678  -9.253
  699   HD11  LEU  90          1HD1      LEU  90  -2.334  -1.010 -10.623
  700   HD12  LEU  90          2HD1      LEU  90  -3.485  -0.282 -11.746
  701   HD13  LEU  90          3HD1      LEU  90  -1.763   0.073 -11.892
  702   HD21  LEU  90          3HD2      LEU  90  -1.530   2.507 -11.282
  703   HD22  LEU  90          1HD2      LEU  90  -1.554   2.691  -9.529
  704   HD23  LEU  90          2HD2      LEU  90  -0.617   1.392 -10.267
  705    H    ASN  91           H        ASN  91  -7.194  -0.475  -9.967
  706    HA   ASN  91           HA       ASN  91  -6.952  -2.339 -11.804
  707    HB2  ASN  91           1HB      ASN  91  -8.841  -2.051 -10.193
  708    HB3  ASN  91           2HB      ASN  91  -9.587  -0.965 -11.347
  709   HD21  ASN  91          1HD2      ASN  91  -9.539  -4.001 -10.256
  710   HD22  ASN  91          2HD2      ASN  91 -10.212  -4.800 -11.616
  711    H    LEU  92           H        LEU  92  -6.001  -1.831 -13.689
  712    HA   LEU  92           HA       LEU  92  -7.387  -1.755 -15.968
  713    HB2  LEU  92           1HB      LEU  92  -8.163   0.522 -15.179
  714    HB3  LEU  92           2HB      LEU  92  -6.521   1.086 -15.443
  715    HG   LEU  92           HG       LEU  92  -6.749   0.414 -17.844
  716   HD11  LEU  92          1HD1      LEU  92  -9.470   0.415 -18.241
  717   HD12  LEU  92          2HD1      LEU  92  -8.410  -0.993 -18.315
  718   HD13  LEU  92          3HD1      LEU  92  -9.267  -0.612 -16.820
  719   HD21  LEU  92          3HD2      LEU  92  -7.477   2.477 -18.356
  720   HD22  LEU  92          1HD2      LEU  92  -8.977   2.288 -17.447
  721   HD23  LEU  92          2HD2      LEU  92  -7.482   2.709 -16.609
  722    H    GLY  93           H        GLY  93  -5.915  -2.627 -17.279
  723    HA2  GLY  93           2HA      GLY  93  -3.193  -2.719 -16.700
  724    HA3  GLY  93           1HA      GLY  93  -3.892  -3.124 -18.258
  725    H    SER  94           H        SER  94  -4.816  -0.780 -19.188
  726    HA   SER  94           HA       SER  94  -2.940   1.358 -18.840
  727    HB2  SER  94           1HB      SER  94  -2.997  -0.076 -21.512
  728    HB3  SER  94           2HB      SER  94  -2.142   1.427 -21.170
  729    HG   SER  94           HG       SER  94  -1.391  -0.331 -19.343
  730    H    ASN  95           H        ASN  95  -4.030   3.202 -19.111
  731    HA   ASN  95           HA       ASN  95  -6.723   3.124 -20.138
  732    HB2  ASN  95           1HB      ASN  95  -5.994   4.544 -18.185
  733    HB3  ASN  95           2HB      ASN  95  -5.109   5.548 -19.328
  734   HD21  ASN  95          1HD2      ASN  95  -8.056   4.184 -20.449
  735   HD22  ASN  95          2HD2      ASN  95  -9.008   5.624 -20.345
  736    H    ARG  96           H        ARG  96  -6.948   2.983 -22.288
  737    HA   ARG  96           HA       ARG  96  -5.046   4.156 -24.089
  738    HB2  ARG  96           1HB      ARG  96  -6.028   2.915 -25.729
  739    HB3  ARG  96           2HB      ARG  96  -6.602   2.010 -24.340
  740    HG2  ARG  96           1HG      ARG  96  -8.160   4.128 -25.804
  741    HG3  ARG  96           2HG      ARG  96  -8.347   2.386 -26.009
  742    HD2  ARG  96           1HD      ARG  96  -8.726   3.824 -23.396
  743    HD3  ARG  96           2HD      ARG  96 -10.039   3.476 -24.519
  744    HE   ARG  96           HE       ARG  96  -8.870   1.692 -22.651
  745   HH11  ARG  96          2HH1      ARG  96 -10.201   1.762 -25.899
  746   HH12  ARG  96          1HH1      ARG  96 -10.754   0.112 -25.842
  747   HH21  ARG  96          2HH2      ARG  96  -9.553  -0.485 -22.595
  748   HH22  ARG  96          1HH2      ARG  96 -10.397  -1.155 -23.962
  749    H    LEU  97           H        LEU  97  -5.994   5.475 -26.006
  750    HA   LEU  97           HA       LEU  97  -6.853   7.436 -26.763
  751    HB2  LEU  97           1HB      LEU  97  -8.965   7.045 -24.638
  752    HB3  LEU  97           2HB      LEU  97  -9.060   8.154 -25.992
  753    HG   LEU  97           HG       LEU  97  -9.038   5.137 -26.160
  754   HD11  LEU  97          1HD1      LEU  97 -11.132   7.047 -25.775
  755   HD12  LEU  97          2HD1      LEU  97 -11.322   6.272 -27.349
  756   HD13  LEU  97          3HD1      LEU  97 -11.232   5.290 -25.886
  757   HD21  LEU  97          3HD2      LEU  97  -9.393   5.428 -28.543
  758   HD22  LEU  97          1HD2      LEU  97  -9.298   7.182 -28.364
  759   HD23  LEU  97          2HD2      LEU  97  -7.876   6.185 -28.055
  760    H    ASP  98           H        ASP  98  -4.806   7.516 -24.857
  761    HA   ASP  98           HA       ASP  98  -5.464   9.739 -23.078
  762    HB2  ASP  98           1HB      ASP  98  -4.101   7.746 -22.313
  763    HB3  ASP  98           2HB      ASP  98  -2.814   8.314 -23.370
  764    H    ARG  99           H        ARG  99  -4.367  11.742 -23.168
  765    HA   ARG  99           HA       ARG  99  -3.649  12.539 -25.843
  766    HB2  ARG  99           1HB      ARG  99  -5.030  13.982 -24.383
  767    HB3  ARG  99           2HB      ARG  99  -3.656  14.176 -23.302
  768    HG2  ARG  99           1HG      ARG  99  -2.445  15.420 -24.887
  769    HG3  ARG  99           2HG      ARG  99  -3.522  14.944 -26.202
  770    HD2  ARG  99           1HD      ARG  99  -4.398  16.591 -23.835
  771    HD3  ARG  99           2HD      ARG  99  -3.836  17.288 -25.356
  772    HE   ARG  99           HE       ARG  99  -6.383  16.028 -24.835
  773   HH11  ARG  99          2HH1      ARG  99  -4.102  17.075 -27.286
  774   HH12  ARG  99          1HH1      ARG  99  -5.254  16.976 -28.591
  775   HH21  ARG  99          2HH2      ARG  99  -7.900  15.892 -26.544
  776   HH22  ARG  99          1HH2      ARG  99  -7.420  16.331 -28.159
  777    H    HIS 100           H        HIS 100  -1.825  10.906 -25.684
  778    HA   HIS 100           HA       HIS 100   0.609  12.422 -25.184
  779    HB2  HIS 100           1HB      HIS 100   0.209  11.056 -23.111
  780    HB3  HIS 100           2HB      HIS 100   0.293   9.610 -24.105
  781    HD1  HIS 100           HD1      HIS 100   2.541  12.673 -23.667
  782    HD2  HIS 100           HD2      HIS 100   2.750   8.518 -23.891
  783    HE1  HIS 100           HE1      HIS 100   4.984  12.095 -23.428
  784    HE2  HIS 100           HE2      HIS 100   5.103   9.588 -23.694
  785    H    PHE 101           H        PHE 101  -0.538   9.174 -26.034
  786    HA   PHE 101           HA       PHE 101  -0.171   7.826 -27.814
  787    HB2  PHE 101           1HB      PHE 101   0.682  10.420 -29.018
  788    HB3  PHE 101           2HB      PHE 101   1.141   8.929 -29.830
  789    HD1  PHE 101           HD2      PHE 101  -1.924  10.348 -28.223
  790    HD2  PHE 101           HD1      PHE 101  -0.218   8.278 -31.524
  791    HE1  PHE 101           HE2      PHE 101  -4.134  10.250 -29.300
  792    HE2  PHE 101           HE1      PHE 101  -2.423   8.178 -32.610
  793    HZ   PHE 101           HZ       PHE 101  -4.386   9.163 -31.495
  794    H    GLU 102           H        GLU 102   1.341   6.329 -28.192
  795    HA   GLU 102           HA       GLU 102   4.158   6.942 -27.881
  796    HB2  GLU 102           1HB      GLU 102   3.296   6.525 -25.561
  797    HB3  GLU 102           2HB      GLU 102   2.818   4.913 -26.076
  798    HG2  GLU 102           1HG      GLU 102   4.892   4.795 -24.875
  799    HG3  GLU 102           2HG      GLU 102   5.166   4.385 -26.566
  800    H    LYS 103           H        LYS 103   2.616   6.221 -30.055
  801    HA   LYS 103           HA       LYS 103   3.371   3.426 -30.592
  802    HB2  LYS 103           1HB      LYS 103   1.575   5.208 -32.257
  803    HB3  LYS 103           2HB      LYS 103   1.800   3.470 -32.422
  804    HG2  LYS 103           1HG      LYS 103   0.704   3.087 -30.308
  805    HG3  LYS 103           2HG      LYS 103   0.550   4.824 -30.042
  806    HD2  LYS 103           1HD      LYS 103  -1.553   3.961 -30.840
  807    HD3  LYS 103           2HD      LYS 103  -0.830   4.968 -32.092
  808    HE2  LYS 103           1HE      LYS 103   0.026   2.923 -33.189
  809    HE3  LYS 103           2HE      LYS 103  -0.811   1.957 -31.976
  810    HZ1  LYS 103           3HZ      LYS 103  -2.907   2.766 -32.742
  811    HZ2  LYS 103           1HZ      LYS 103  -2.039   2.219 -34.095
  812    HZ3  LYS 103           2HZ      LYS 103  -2.166   3.879 -33.784
  813    H    LYS 104           H        LYS 104   3.151   4.268 -33.564
  814    HA   LYS 104           HA       LYS 104   5.871   5.350 -33.764
  815    HB2  LYS 104           1HB      LYS 104   5.099   3.259 -35.058
  816    HB3  LYS 104           2HB      LYS 104   4.189   4.375 -36.065
  817    HG2  LYS 104           1HG      LYS 104   6.277   5.544 -36.623
  818    HG3  LYS 104           2HG      LYS 104   7.172   4.369 -35.660
  819    HD2  LYS 104           1HD      LYS 104   6.379   2.572 -37.117
  820    HD3  LYS 104           2HD      LYS 104   5.477   3.746 -38.077
  821    HE2  LYS 104           1HE      LYS 104   7.634   4.907 -38.545
  822    HE3  LYS 104           2HE      LYS 104   8.462   3.580 -37.737
  823    HZ1  LYS 104           3HZ      LYS 104   6.620   2.711 -39.766
  824    HZ2  LYS 104           1HZ      LYS 104   8.242   2.273 -39.515
  825    HZ3  LYS 104           2HZ      LYS 104   7.865   3.687 -40.373
  826    H    LYS 105           H        LYS 105   3.743   6.937 -32.847
  827    HA   LYS 105           HA       LYS 105   4.017   9.258 -34.416
  828    HB2  LYS 105           1HB      LYS 105   2.391   8.122 -35.886
  829    HB3  LYS 105           2HB      LYS 105   1.299   7.911 -34.525
  830    HG2  LYS 105           1HG      LYS 105   1.093  10.349 -34.327
  831    HG3  LYS 105           2HG      LYS 105   2.160  10.539 -35.719
  832    HD2  LYS 105           1HD      LYS 105  -0.132  10.763 -36.433
  833    HD3  LYS 105           2HD      LYS 105   0.537   9.267 -37.087
  834    HE2  LYS 105           1HE      LYS 105  -0.563   7.987 -35.339
  835    HE3  LYS 105           2HE      LYS 105  -1.181   9.471 -34.616
  836    HZ1  LYS 105           3HZ      LYS 105  -2.658   8.065 -36.208
  837    HZ2  LYS 105           1HZ      LYS 105  -1.810   8.887 -37.424
  838    HZ3  LYS 105           2HZ      LYS 105  -2.707   9.759 -36.279
  839    H    LYS 106           H        LYS 106   3.990  10.803 -32.944
  840    HA   LYS 106           HA       LYS 106   1.954  11.059 -30.955
  841    HB2  LYS 106           1HB      LYS 106   3.490  10.866 -29.003
  842    HB3  LYS 106           2HB      LYS 106   3.189   9.340 -29.816
  843    HG2  LYS 106           1HG      LYS 106   5.356   9.573 -30.979
  844    HG3  LYS 106           2HG      LYS 106   5.664  11.038 -30.041
  845    HD2  LYS 106           1HD      LYS 106   5.459   9.734 -27.968
  846    HD3  LYS 106           2HD      LYS 106   5.205   8.274 -28.923
  847    HE2  LYS 106           1HE      LYS 106   7.426   8.575 -29.933
  848    HE3  LYS 106           2HE      LYS 106   7.671  10.004 -28.928
  849    HZ1  LYS 106           3HZ      LYS 106   7.933   7.232 -28.252
  850    HZ2  LYS 106           1HZ      LYS 106   6.964   8.077 -27.146
  851    HZ3  LYS 106           2HZ      LYS 106   8.549   8.602 -27.463
  852    H    VAL 107           H        VAL 107   2.866  12.665 -32.992
  853    HA   VAL 107           HA       VAL 107   3.562  15.033 -31.506
  854    HB   VAL 107           HB       VAL 107   5.774  14.052 -32.161
  855   HG11  VAL 107          1HG1      VAL 107   5.888  13.085 -34.160
  856   HG12  VAL 107          2HG1      VAL 107   4.481  13.961 -34.761
  857   HG13  VAL 107          3HG1      VAL 107   6.071  14.717 -34.804
  858   HG21  VAL 107          3HG2      VAL 107   4.842  16.743 -32.983
  859   HG22  VAL 107          1HG2      VAL 107   6.059  16.276 -31.794
  860   HG23  VAL 107          2HG2      VAL 107   6.447  16.238 -33.515
  Start of MODEL   17
    1    H1   GLY  -1           1H       GLY  -1 -16.033  11.194 -11.408
    2    H2   GLY  -1           2H       GLY  -1 -14.804  11.350 -12.568
    3    H3   GLY  -1           3H       GLY  -1 -14.513  11.794 -10.956
    4    HA2  GLY  -1           1HA      GLY  -1 -15.050   9.046 -11.934
    5    HA3  GLY  -1           2HA      GLY  -1 -13.485   9.677 -11.435
    6    H    GLY   0           H        GLY   0 -12.968   8.749  -9.564
    7    HA2  GLY   0           2HA      GLY   0 -13.064   8.356  -7.292
    8    HA3  GLY   0           1HA      GLY   0 -14.602   9.206  -7.245
    9    H    SER   1           H        SER   1 -16.061   7.944  -6.372
   10    HA   SER   1           HA       SER   1 -17.287   6.155  -5.760
   11    HB2  SER   1           1HB      SER   1 -18.045   4.660  -7.619
   12    HB3  SER   1           2HB      SER   1 -18.229   6.377  -7.965
   13    HG   SER   1           HG       SER   1 -15.807   5.541  -8.780
   14    H    SER   2           H        SER   2 -14.771   5.887  -4.894
   15    HA   SER   2           HA       SER   2 -13.491   3.455  -5.626
   16    HB2  SER   2           1HB      SER   2 -13.188   4.636  -2.894
   17    HB3  SER   2           2HB      SER   2 -11.957   3.979  -3.974
   18    HG   SER   2           HG       SER   2 -12.068   5.840  -5.215
   19    H    ARG   3           H        ARG   3 -13.749   1.411  -4.844
   20    HA   ARG   3           HA       ARG   3 -15.070   0.736  -2.440
   21    HB2  ARG   3           1HB      ARG   3 -17.155  -0.169  -3.324
   22    HB3  ARG   3           2HB      ARG   3 -17.052   1.551  -3.672
   23    HG2  ARG   3           1HG      ARG   3 -16.113   0.795  -5.954
   24    HG3  ARG   3           2HG      ARG   3 -16.820  -0.768  -5.537
   25    HD2  ARG   3           1HD      ARG   3 -18.240   1.875  -5.773
   26    HD3  ARG   3           2HD      ARG   3 -18.410   0.475  -6.830
   27    HE   ARG   3           HE       ARG   3 -19.081  -0.359  -4.265
   28   HH11  ARG   3          2HH1      ARG   3 -20.225   1.900  -6.673
   29   HH12  ARG   3          1HH1      ARG   3 -21.875   1.844  -6.136
   30   HH21  ARG   3          2HH2      ARG   3 -21.258  -0.456  -3.562
   31   HH22  ARG   3          1HH2      ARG   3 -22.467   0.491  -4.374
   32    H    HIS   4           H        HIS   4 -15.363  -1.574  -2.217
   33    HA   HIS   4           HA       HIS   4 -14.759  -3.754  -2.442
   34    HB2  HIS   4           1HB      HIS   4 -13.866  -3.055  -5.251
   35    HB3  HIS   4           2HB      HIS   4 -14.017  -4.678  -4.587
   36    HD1  HIS   4           HD1      HIS   4 -16.720  -4.941  -3.534
   37    HD2  HIS   4           HD2      HIS   4 -15.945  -2.556  -6.854
   38    HE1  HIS   4           HE1      HIS   4 -18.917  -4.707  -4.731
   39    HE2  HIS   4           HE2      HIS   4 -18.465  -3.107  -6.625
   40    H    GLN   5           H        GLN   5 -12.842  -5.026  -2.203
   41    HA   GLN   5           HA       GLN   5 -10.268  -3.761  -2.572
   42    HB2  GLN   5           1HB      GLN   5 -11.320  -2.839  -0.412
   43    HB3  GLN   5           2HB      GLN   5 -11.068  -4.447   0.250
   44    HG2  GLN   5           1HG      GLN   5  -9.283  -2.884   0.855
   45    HG3  GLN   5           2HG      GLN   5  -8.686  -4.254  -0.079
   46   HE21  GLN   5          1HE2      GLN   5  -7.112  -3.623  -1.363
   47   HE22  GLN   5          2HE2      GLN   5  -7.079  -2.159  -2.285
   48    H    PHE   6           H        PHE   6 -11.526  -6.137  -3.505
   49    HA   PHE   6           HA       PHE   6 -10.751  -8.480  -2.159
   50    HB2  PHE   6           1HB      PHE   6 -10.817  -8.068  -5.159
   51    HB3  PHE   6           2HB      PHE   6 -10.962  -9.597  -4.306
   52    HD1  PHE   6           HD1      PHE   6 -12.659  -6.461  -5.169
   53    HD2  PHE   6           HD2      PHE   6 -13.043 -10.303  -3.382
   54    HE1  PHE   6           HE1      PHE   6 -15.106  -6.229  -5.204
   55    HE2  PHE   6           HE2      PHE   6 -15.491 -10.075  -3.410
   56    HZ   PHE   6           HZ       PHE   6 -16.524  -8.038  -4.326
   57    H    ASP   7           H        ASP   7  -9.241  -6.726  -4.768
   58    HA   ASP   7           HA       ASP   7  -6.643  -6.519  -3.991
   59    HB2  ASP   7           1HB      ASP   7  -6.827  -9.135  -4.098
   60    HB3  ASP   7           2HB      ASP   7  -6.762  -8.883  -5.845
   61    H    LEU   8           H        LEU   8  -7.790  -4.772  -5.122
   62    HA   LEU   8           HA       LEU   8  -8.560  -5.021  -7.793
   63    HB2  LEU   8           1HB      LEU   8  -7.926  -2.466  -6.341
   64    HB3  LEU   8           2HB      LEU   8  -9.014  -2.676  -7.703
   65    HG   LEU   8           HG       LEU   8  -9.408  -3.851  -4.963
   66   HD11  LEU   8          1HD1      LEU   8 -10.200  -1.301  -6.186
   67   HD12  LEU   8          2HD1      LEU   8 -11.498  -2.182  -5.378
   68   HD13  LEU   8          3HD1      LEU   8 -10.040  -1.747  -4.487
   69   HD21  LEU   8          3HD2      LEU   8 -11.529  -3.705  -7.054
   70   HD22  LEU   8          1HD2      LEU   8 -10.339  -5.005  -7.121
   71   HD23  LEU   8          2HD2      LEU   8 -11.363  -4.818  -5.696
   72    H    ILE   9           H        ILE   9  -6.554  -6.060  -8.270
   73    HA   ILE   9           HA       ILE   9  -4.386  -6.247  -8.949
   74    HB   ILE   9           HB       ILE   9  -5.851  -4.797 -11.147
   75   HG12  ILE   9          1HG1      ILE   9  -6.038  -7.033 -12.120
   76   HG13  ILE   9          2HG1      ILE   9  -5.076  -7.714 -10.817
   77   HG21  ILE   9          1HG2      ILE   9  -3.426  -4.517 -11.411
   78   HG22  ILE   9          2HG2      ILE   9  -3.223  -6.265 -11.276
   79   HG23  ILE   9          3HG2      ILE   9  -4.099  -5.583 -12.647
   80   HD11  ILE   9          3HD1      ILE   9  -6.818  -7.399  -9.253
   81   HD12  ILE   9          1HD1      ILE   9  -7.746  -6.415 -10.386
   82   HD13  ILE   9          2HD1      ILE   9  -7.531  -8.140 -10.689
   83    H    MET  10           H        MET  10  -3.380  -5.084  -7.372
   84    HA   MET  10           HA       MET  10  -2.687  -2.357  -7.709
   85    HB2  MET  10           1HB      MET  10  -0.898  -2.862  -6.000
   86    HB3  MET  10           2HB      MET  10  -2.554  -3.171  -5.507
   87    HG2  MET  10           1HG      MET  10  -2.230  -5.555  -5.950
   88    HG3  MET  10           2HG      MET  10  -0.558  -5.230  -6.408
   89    HE1  MET  10           3HE      MET  10  -3.126  -4.268  -3.920
   90    HE2  MET  10           1HE      MET  10  -2.509  -4.776  -2.345
   91    HE3  MET  10           2HE      MET  10  -2.014  -3.225  -3.029
   92    H    CYS  11           H        CYS  11  -0.899  -1.406  -8.420
   93    HA   CYS  11           HA       CYS  11   0.129  -2.223 -10.802
   94    HB2  CYS  11           1HB      CYS  11   0.245   0.023 -10.492
   95    HB3  CYS  11           2HB      CYS  11   0.752  -0.120  -8.819
   96    H    LEU  12           H        LEU  12   1.670  -2.575  -7.642
   97    HA   LEU  12           HA       LEU  12   3.507  -3.723  -6.931
   98    HB2  LEU  12           1HB      LEU  12   2.281  -5.578  -8.950
   99    HB3  LEU  12           2HB      LEU  12   3.541  -6.064  -7.831
  100    HG   LEU  12           HG       LEU  12   0.826  -5.021  -7.033
  101   HD11  LEU  12          1HD1      LEU  12   1.809  -7.814  -6.660
  102   HD12  LEU  12          2HD1      LEU  12   0.155  -7.198  -6.665
  103   HD13  LEU  12          3HD1      LEU  12   1.055  -7.317  -8.176
  104   HD21  LEU  12          3HD2      LEU  12   2.917  -4.710  -5.510
  105   HD22  LEU  12          1HD2      LEU  12   1.419  -5.343  -4.826
  106   HD23  LEU  12          2HD2      LEU  12   2.737  -6.443  -5.230
  107    H    LYS  13           H        LYS  13   4.543  -1.894  -8.731
  108    HA   LYS  13           HA       LYS  13   6.424  -3.420 -10.371
  109    HB2  LYS  13           1HB      LYS  13   6.118  -0.442  -9.982
  110    HB3  LYS  13           2HB      LYS  13   7.343  -1.189 -10.995
  111    HG2  LYS  13           1HG      LYS  13   5.446  -2.240 -12.289
  112    HG3  LYS  13           2HG      LYS  13   4.375  -1.149 -11.402
  113    HD2  LYS  13           1HD      LYS  13   6.157   0.638 -12.170
  114    HD3  LYS  13           2HD      LYS  13   6.423  -0.541 -13.457
  115    HE2  LYS  13           1HE      LYS  13   3.693   0.449 -12.718
  116    HE3  LYS  13           2HE      LYS  13   4.724   1.278 -13.869
  117    HZ1  LYS  13           3HZ      LYS  13   4.130  -0.141 -15.446
  118    HZ2  LYS  13           1HZ      LYS  13   3.016  -0.836 -14.371
  119    HZ3  LYS  13           2HZ      LYS  13   4.582  -1.474 -14.505
  120    H    GLN  14           H        GLN  14   8.609  -1.511  -9.958
  121    HA   GLN  14           HA       GLN  14   9.733  -2.673  -7.574
  122    HB2  GLN  14           1HB      GLN  14  10.715  -0.921  -9.779
  123    HB3  GLN  14           2HB      GLN  14  11.617  -0.978  -8.278
  124    HG2  GLN  14           1HG      GLN  14  10.969  -3.284 -10.091
  125    HG3  GLN  14           2HG      GLN  14  12.555  -2.558  -9.814
  126   HE21  GLN  14          1HE2      GLN  14  10.677  -5.124  -9.079
  127   HE22  GLN  14          2HE2      GLN  14  11.373  -5.582  -7.560
  128    HA   PRO  15           HA       PRO  15   8.070   0.655  -5.105
  129    HB2  PRO  15           1HB      PRO  15   9.373  -0.683  -2.869
  130    HB3  PRO  15           2HB      PRO  15   7.651  -0.449  -3.179
  131    HG2  PRO  15           1HG      PRO  15   8.869  -2.870  -3.324
  132    HG3  PRO  15           2HG      PRO  15   7.455  -2.438  -4.301
  133    HD2  PRO  15           1HD      PRO  15  10.338  -2.540  -5.075
  134    HD3  PRO  15           2HD      PRO  15   8.901  -3.013  -6.006
  135    H    GLY  16           H        GLY  16   8.865   2.513  -4.273
  136    HA2  GLY  16           2HA      GLY  16  11.769   2.890  -4.320
  137    HA3  GLY  16           1HA      GLY  16  10.554   4.153  -4.160
  138    H    VAL  17           H        VAL  17  11.196   5.127  -2.326
  139    HA   VAL  17           HA       VAL  17  11.511   3.458   0.075
  140    HB   VAL  17           HB       VAL  17  13.369   5.040  -0.428
  141   HG11  VAL  17          1HG1      VAL  17  11.505   6.817  -1.162
  142   HG12  VAL  17          2HG1      VAL  17  11.811   7.368   0.486
  143   HG13  VAL  17          3HG1      VAL  17  13.139   7.265  -0.673
  144   HG21  VAL  17          3HG2      VAL  17  12.962   6.298   1.951
  145   HG22  VAL  17          1HG2      VAL  17  11.864   4.925   2.080
  146   HG23  VAL  17          2HG2      VAL  17  13.578   4.655   1.769
  147    H    GLN  18           H        GLN  18   9.523   5.822  -1.469
  148    HA   GLN  18           HA       GLN  18   8.174   6.897   0.730
  149    HB2  GLN  18           1HB      GLN  18   7.232   6.470  -2.105
  150    HB3  GLN  18           2HB      GLN  18   6.352   7.406  -0.905
  151    HG2  GLN  18           1HG      GLN  18   8.424   8.833  -0.685
  152    HG3  GLN  18           2HG      GLN  18   9.030   8.004  -2.119
  153   HE21  GLN  18          1HE2      GLN  18   8.851   9.308  -3.789
  154   HE22  GLN  18          2HE2      GLN  18   7.479  10.294  -4.173
  155    H    THR  19           H        THR  19   6.672   6.184   2.044
  156    HA   THR  19           HA       THR  19   5.762   3.461   1.906
  157    HB   THR  19           HB       THR  19   4.672   5.545   3.783
  158    HG1  THR  19           HG1      THR  19   6.480   4.994   5.164
  159   HG21  THR  19          1HG2      THR  19   4.748   3.563   5.343
  160   HG22  THR  19          2HG2      THR  19   5.158   2.575   3.939
  161   HG23  THR  19          3HG2      THR  19   3.615   3.428   3.996
  162    H    GLY  20           H        GLY  20   3.726   2.739   1.406
  163    HA2  GLY  20           2HA      GLY  20   2.062   4.364  -0.266
  164    HA3  GLY  20           1HA      GLY  20   1.680   2.752   0.330
  165    H    LEU  21           H        LEU  21   0.848   5.941   0.473
  166    HA   LEU  21           HA       LEU  21   0.227   6.194   3.222
  167    HB2  LEU  21           1HB      LEU  21  -0.733   7.833   0.883
  168    HB3  LEU  21           2HB      LEU  21  -0.876   8.272   2.574
  169    HG   LEU  21           HG       LEU  21   1.711   7.962   1.053
  170   HD11  LEU  21          1HD1      LEU  21   1.754  10.476   1.772
  171   HD12  LEU  21          2HD1      LEU  21   0.889   9.975   0.318
  172   HD13  LEU  21          3HD1      LEU  21   0.001  10.279   1.812
  173   HD21  LEU  21          3HD2      LEU  21   2.068   7.318   3.329
  174   HD22  LEU  21          1HD2      LEU  21   2.693   8.955   3.122
  175   HD23  LEU  21          2HD2      LEU  21   1.140   8.697   3.919
  176    H    LEU  22           H        LEU  22  -1.734   6.336   4.245
  177    HA   LEU  22           HA       LEU  22  -4.088   5.319   2.793
  178    HB2  LEU  22           1HB      LEU  22  -3.434   4.849   5.706
  179    HB3  LEU  22           2HB      LEU  22  -4.906   4.352   4.897
  180    HG   LEU  22           HG       LEU  22  -2.138   3.291   4.431
  181   HD11  LEU  22          1HD1      LEU  22  -3.332   2.520   6.466
  182   HD12  LEU  22          2HD1      LEU  22  -4.638   1.935   5.435
  183   HD13  LEU  22          3HD1      LEU  22  -3.029   1.229   5.305
  184   HD21  LEU  22          3HD2      LEU  22  -2.817   2.219   2.560
  185   HD22  LEU  22          1HD2      LEU  22  -4.468   2.016   3.149
  186   HD23  LEU  22          2HD2      LEU  22  -3.958   3.560   2.468
  187    H    CYS  23           H        CYS  23  -5.915   6.477   3.075
  188    HA   CYS  23           HA       CYS  23  -5.802   8.953   4.582
  189    HB2  CYS  23           1HB      CYS  23  -7.887   9.489   3.638
  190    HB3  CYS  23           2HB      CYS  23  -7.086   8.599   2.351
  191    H    GLU  24           H        GLU  24  -6.877   9.244   6.536
  192    HA   GLU  24           HA       GLU  24  -6.709   7.270   8.369
  193    HB2  GLU  24           1HB      GLU  24  -8.712   9.534   8.462
  194    HB3  GLU  24           2HB      GLU  24  -8.106   8.636   9.849
  195    HG2  GLU  24           1HG      GLU  24  -5.859   9.463   9.427
  196    HG3  GLU  24           2HG      GLU  24  -6.432  10.325   8.001
  197    H    LYS  25           H        LYS  25  -9.392   7.783   6.224
  198    HA   LYS  25           HA       LYS  25 -11.369   6.272   7.538
  199    HB2  LYS  25           1HB      LYS  25 -11.000   6.841   4.595
  200    HB3  LYS  25           2HB      LYS  25 -12.477   6.242   5.339
  201    HG2  LYS  25           1HG      LYS  25 -12.924   8.248   6.385
  202    HG3  LYS  25           2HG      LYS  25 -11.246   8.786   6.294
  203    HD2  LYS  25           1HD      LYS  25 -11.471   8.997   3.853
  204    HD3  LYS  25           2HD      LYS  25 -13.167   8.526   3.985
  205    HE2  LYS  25           1HE      LYS  25 -13.613  10.473   5.374
  206    HE3  LYS  25           2HE      LYS  25 -11.911  10.924   5.307
  207    HZ1  LYS  25           3HZ      LYS  25 -13.524  12.074   3.732
  208    HZ2  LYS  25           1HZ      LYS  25 -13.505  10.634   2.842
  209    HZ3  LYS  25           2HZ      LYS  25 -12.067  11.503   3.082
  210    H    CYS  26           H        CYS  26  -8.844   5.279   5.229
  211    HA   CYS  26           HA       CYS  26  -9.948   2.571   5.169
  212    HB2  CYS  26           1HB      CYS  26  -7.558   3.680   3.682
  213    HB3  CYS  26           2HB      CYS  26  -8.283   2.097   3.447
  214    H    ASP  27           H        ASP  27  -7.676   4.443   6.801
  215    HA   ASP  27           HA       ASP  27  -5.497   2.841   7.070
  216    HB2  ASP  27           1HB      ASP  27  -5.464   5.063   7.999
  217    HB3  ASP  27           2HB      ASP  27  -6.717   4.646   9.167
  218    H    GLY  28           H        GLY  28  -5.199   0.908   7.735
  219    HA2  GLY  28           2HA      GLY  28  -5.281  -0.517   9.817
  220    HA3  GLY  28           1HA      GLY  28  -7.016  -0.238   9.759
  221    H    LYS  29           H        LYS  29  -7.175  -0.407   6.883
  222    HA   LYS  29           HA       LYS  29  -7.505  -3.240   6.637
  223    HB2  LYS  29           1HB      LYS  29  -7.608  -1.146   4.460
  224    HB3  LYS  29           2HB      LYS  29  -8.330  -2.748   4.417
  225    HG2  LYS  29           1HG      LYS  29 -10.043  -2.152   5.864
  226    HG3  LYS  29           2HG      LYS  29  -9.158  -0.756   6.488
  227    HD2  LYS  29           1HD      LYS  29 -10.937   0.007   5.044
  228    HD3  LYS  29           2HD      LYS  29  -9.382   0.328   4.278
  229    HE2  LYS  29           1HE      LYS  29 -10.833  -0.514   2.597
  230    HE3  LYS  29           2HE      LYS  29  -9.692  -1.800   2.986
  231    HZ1  LYS  29           3HZ      LYS  29 -11.433  -3.098   3.348
  232    HZ2  LYS  29           1HZ      LYS  29 -12.517  -1.804   3.171
  233    HZ3  LYS  29           2HZ      LYS  29 -11.842  -2.138   4.686
  234    H    CYS  30           H        CYS  30  -6.114  -4.700   5.791
  235    HA   CYS  30           HA       CYS  30  -3.529  -3.905   4.787
  236    HB2  CYS  30           1HB      CYS  30  -3.740  -6.035   5.964
  237    HB3  CYS  30           2HB      CYS  30  -4.950  -6.585   4.813
  238    HA   PRO  31           HA       PRO  31  -5.325  -2.729   0.909
  239    HB2  PRO  31           1HB      PRO  31  -2.902  -2.618  -0.472
  240    HB3  PRO  31           2HB      PRO  31  -3.615  -1.304   0.464
  241    HG2  PRO  31           1HG      PRO  31  -1.509  -3.271   1.252
  242    HG3  PRO  31           2HG      PRO  31  -1.627  -1.540   1.625
  243    HD2  PRO  31           1HD      PRO  31  -2.242  -3.380   3.457
  244    HD3  PRO  31           2HD      PRO  31  -3.199  -1.889   3.312
  245    H    ILE  32           H        ILE  32  -3.054  -5.378   1.171
  246    HA   ILE  32           HA       ILE  32  -3.437  -6.400  -1.438
  247    HB   ILE  32           HB       ILE  32  -2.430  -7.869   1.001
  248   HG12  ILE  32          1HG1      ILE  32  -1.291  -5.610   0.031
  249   HG13  ILE  32          2HG1      ILE  32  -0.371  -6.923   0.758
  250   HG21  ILE  32          1HG2      ILE  32  -1.458  -9.435  -0.470
  251   HG22  ILE  32          2HG2      ILE  32  -3.116  -9.212  -1.029
  252   HG23  ILE  32          3HG2      ILE  32  -1.785  -8.428  -1.880
  253   HD11  ILE  32          3HD1      ILE  32   0.379  -5.900  -1.496
  254   HD12  ILE  32          1HD1      ILE  32   0.430  -7.648  -1.275
  255   HD13  ILE  32          2HD1      ILE  32  -0.894  -6.912  -2.177
  256    H    CYS  33           H        CYS  33  -4.867  -7.311   1.713
  257    HA   CYS  33           HA       CYS  33  -6.553  -9.212   0.232
  258    HB2  CYS  33           1HB      CYS  33  -6.440 -10.712   2.126
  259    HB3  CYS  33           2HB      CYS  33  -4.816 -10.280   1.604
  260    H    ASP  34           H        ASP  34  -6.791  -6.443   2.135
  261    HA   ASP  34           HA       ASP  34  -8.529  -5.377   3.148
  262    HB2  ASP  34           1HB      ASP  34  -9.746  -5.840   1.081
  263    HB3  ASP  34           2HB      ASP  34 -10.198  -7.430   1.678
  264    H    SER  35           H        SER  35  -7.521  -6.289   5.098
  265    HA   SER  35           HA       SER  35  -9.470  -7.485   6.809
  266    HB2  SER  35           1HB      SER  35  -8.554  -9.492   5.605
  267    HB3  SER  35           2HB      SER  35  -6.961  -9.096   6.243
  268    HG   SER  35           HG       SER  35  -9.220 -10.108   7.551
  269    H    TYR  36           H        TYR  36  -9.014  -7.023   8.949
  270    HA   TYR  36           HA       TYR  36  -6.740  -5.257   9.400
  271    HB2  TYR  36           1HB      TYR  36  -9.167  -5.942  11.061
  272    HB3  TYR  36           2HB      TYR  36  -7.852  -4.950  11.674
  273    HD1  TYR  36           HD1      TYR  36  -9.949  -5.073   8.561
  274    HD2  TYR  36           HD2      TYR  36  -8.267  -2.693  11.662
  275    HE1  TYR  36           HE1      TYR  36 -11.012  -3.070   7.604
  276    HE2  TYR  36           HE2      TYR  36  -9.324  -0.692  10.713
  277    HH   TYR  36           HH       TYR  36 -10.527   0.150   9.044
  278    H    VAL  37           H        VAL  37  -6.200  -8.041   9.024
  279    HA   VAL  37           HA       VAL  37  -5.596  -9.201  11.590
  280    HB   VAL  37           HB       VAL  37  -6.123 -10.616   9.632
  281   HG11  VAL  37          1HG1      VAL  37  -5.268  -9.938   7.691
  282   HG12  VAL  37          2HG1      VAL  37  -3.912  -9.115   8.461
  283   HG13  VAL  37          3HG1      VAL  37  -3.840 -10.855   8.176
  284   HG21  VAL  37          3HG2      VAL  37  -4.401 -12.285   9.969
  285   HG22  VAL  37          1HG2      VAL  37  -3.334 -11.074  10.679
  286   HG23  VAL  37          2HG2      VAL  37  -4.826 -11.527  11.504
  287    H    ARG  38           H        ARG  38  -3.473  -9.579  12.389
  288    HA   ARG  38           HA       ARG  38  -1.982  -7.406  12.805
  289    HB2  ARG  38           1HB      ARG  38  -0.100  -8.899  13.453
  290    HB3  ARG  38           2HB      ARG  38  -1.656  -9.395  14.105
  291    HG2  ARG  38           1HG      ARG  38  -1.843 -11.154  12.504
  292    HG3  ARG  38           2HG      ARG  38  -0.420 -10.581  11.633
  293    HD2  ARG  38           1HD      ARG  38   0.108 -12.519  13.013
  294    HD3  ARG  38           2HD      ARG  38   0.974 -11.087  13.567
  295    HE   ARG  38           HE       ARG  38  -1.417 -11.300  15.015
  296   HH11  ARG  38          2HH1      ARG  38   1.618 -12.983  14.633
  297   HH12  ARG  38          1HH1      ARG  38   1.641 -13.599  16.254
  298   HH21  ARG  38          2HH2      ARG  38  -1.398 -12.078  17.162
  299   HH22  ARG  38          1HH2      ARG  38  -0.063 -13.055  17.711
  300    HA   PRO  39           HA       PRO  39   0.256  -6.571   9.032
  301    HB2  PRO  39           1HB      PRO  39   1.483  -4.367  10.428
  302    HB3  PRO  39           2HB      PRO  39   0.236  -4.316   9.183
  303    HG2  PRO  39           1HG      PRO  39  -0.187  -3.611  11.792
  304    HG3  PRO  39           2HG      PRO  39  -1.460  -4.207  10.711
  305    HD2  PRO  39           1HD      PRO  39   0.088  -5.676  12.811
  306    HD3  PRO  39           2HD      PRO  39  -1.641  -5.773  12.410
  307    H    LYS  40           H        LYS  40   2.731  -5.512   8.904
  308    HA   LYS  40           HA       LYS  40   4.569  -6.425  10.836
  309    HB2  LYS  40           1HB      LYS  40   3.917  -8.629   9.862
  310    HB3  LYS  40           2HB      LYS  40   4.532  -8.084   8.308
  311    HG2  LYS  40           1HG      LYS  40   6.761  -7.927   9.183
  312    HG3  LYS  40           2HG      LYS  40   6.189  -8.289  10.813
  313    HD2  LYS  40           1HD      LYS  40   5.473 -10.506  10.070
  314    HD3  LYS  40           2HD      LYS  40   6.031 -10.144   8.436
  315    HE2  LYS  40           1HE      LYS  40   7.768 -10.219  10.902
  316    HE3  LYS  40           2HE      LYS  40   7.643 -11.509   9.705
  317    HZ1  LYS  40           3HZ      LYS  40   8.462  -9.932   8.027
  318    HZ2  LYS  40           1HZ      LYS  40   9.585 -10.175   9.276
  319    HZ3  LYS  40           2HZ      LYS  40   8.660  -8.755   9.234
  320    H    ARG  41           H        ARG  41   4.231  -5.866   7.320
  321    HA   ARG  41           HA       ARG  41   6.702  -4.264   7.473
  322    HB2  ARG  41           1HB      ARG  41   5.588  -5.994   5.280
  323    HB3  ARG  41           2HB      ARG  41   6.777  -4.745   4.942
  324    HG2  ARG  41           1HG      ARG  41   7.160  -7.032   6.862
  325    HG3  ARG  41           2HG      ARG  41   7.787  -6.959   5.213
  326    HD2  ARG  41           1HD      ARG  41   8.475  -5.084   7.475
  327    HD3  ARG  41           2HD      ARG  41   9.513  -6.348   6.818
  328    HE   ARG  41           HE       ARG  41   9.091  -3.729   5.752
  329   HH11  ARG  41          2HH1      ARG  41  10.002  -7.019   4.944
  330   HH12  ARG  41          1HH1      ARG  41  10.713  -6.579   3.416
  331   HH21  ARG  41          2HH2      ARG  41  10.039  -3.148   3.753
  332   HH22  ARG  41          1HH2      ARG  41  10.756  -4.385   2.755
  333    H    LYS  42           H        LYS  42   6.777  -2.244   6.634
  334    HA   LYS  42           HA       LYS  42   4.304  -0.875   6.105
  335    HB2  LYS  42           1HB      LYS  42   7.190  -0.005   5.872
  336    HB3  LYS  42           2HB      LYS  42   5.829   1.054   5.539
  337    HG2  LYS  42           1HG      LYS  42   5.048   0.666   7.874
  338    HG3  LYS  42           2HG      LYS  42   6.550  -0.212   8.168
  339    HD2  LYS  42           1HD      LYS  42   7.850   1.758   7.662
  340    HD3  LYS  42           2HD      LYS  42   6.392   2.645   7.218
  341    HE2  LYS  42           1HE      LYS  42   7.065   3.302   9.429
  342    HE3  LYS  42           2HE      LYS  42   5.571   2.375   9.537
  343    HZ1  LYS  42           3HZ      LYS  42   7.803   0.647   9.751
  344    HZ2  LYS  42           1HZ      LYS  42   6.562   0.932  10.875
  345    HZ3  LYS  42           2HZ      LYS  42   7.944   1.906  10.880
  346    H    VAL  43           H        VAL  43   3.402  -0.403   4.191
  347    HA   VAL  43           HA       VAL  43   4.305  -1.775   1.850
  348    HB   VAL  43           HB       VAL  43   2.406  -0.745   0.722
  349   HG11  VAL  43          1HG1      VAL  43   2.046  -2.014   3.380
  350   HG12  VAL  43          2HG1      VAL  43   0.621  -1.372   2.562
  351   HG13  VAL  43          3HG1      VAL  43   1.611  -2.602   1.776
  352   HG21  VAL  43          3HG2      VAL  43   1.355   0.639   3.069
  353   HG22  VAL  43          1HG2      VAL  43   2.795   1.378   2.374
  354   HG23  VAL  43          2HG2      VAL  43   1.366   1.124   1.374
  355    H    ARG  44           H        ARG  44   5.194  -0.913  -0.045
  356    HA   ARG  44           HA       ARG  44   5.946   1.928   0.076
  357    HB2  ARG  44           1HB      ARG  44   7.755  -0.293  -0.889
  358    HB3  ARG  44           2HB      ARG  44   8.124   1.425  -0.922
  359    HG2  ARG  44           1HG      ARG  44   7.901   1.419   1.577
  360    HG3  ARG  44           2HG      ARG  44   7.816  -0.341   1.490
  361    HD2  ARG  44           1HD      ARG  44  10.096   1.431   0.628
  362    HD3  ARG  44           2HD      ARG  44  10.080   0.291   1.969
  363    HE   ARG  44           HE       ARG  44  10.750  -0.277  -0.700
  364   HH11  ARG  44          2HH1      ARG  44   8.913  -1.692   1.945
  365   HH12  ARG  44          1HH1      ARG  44   9.151  -3.318   1.387
  366   HH21  ARG  44          2HH2      ARG  44  11.077  -2.417  -1.394
  367   HH22  ARG  44          1HH2      ARG  44  10.408  -3.736  -0.467
  368    H    VAL  45           H        VAL  45   5.396   3.026  -1.660
  369    HA   VAL  45           HA       VAL  45   4.191   1.635  -3.894
  370    HB   VAL  45           HB       VAL  45   3.706   3.914  -4.772
  371   HG11  VAL  45          1HG1      VAL  45   2.532   2.550  -2.662
  372   HG12  VAL  45          2HG1      VAL  45   2.621   4.224  -2.111
  373   HG13  VAL  45          3HG1      VAL  45   1.804   3.836  -3.626
  374   HG21  VAL  45          3HG2      VAL  45   4.040   5.837  -3.244
  375   HG22  VAL  45          1HG2      VAL  45   5.015   4.799  -2.202
  376   HG23  VAL  45          2HG2      VAL  45   5.552   5.156  -3.844
  377    H    CYS  46           H        CYS  46   4.895   1.703  -6.014
  378    HA   CYS  46           HA       CYS  46   7.715   1.737  -6.354
  379    HB2  CYS  46           1HB      CYS  46   7.352   0.867  -8.460
  380    HB3  CYS  46           2HB      CYS  46   5.866   0.384  -7.651
  381    H    GLU  47           H        GLU  47   8.991   3.154  -7.507
  382    HA   GLU  47           HA       GLU  47   8.496   5.858  -7.216
  383    HB2  GLU  47           1HB      GLU  47  10.365   4.417  -9.086
  384    HB3  GLU  47           2HB      GLU  47  10.370   6.163  -8.880
  385    HG2  GLU  47           1HG      GLU  47  10.867   5.892  -6.517
  386    HG3  GLU  47           2HG      GLU  47  10.848   4.140  -6.708
  387    H    ASN  48           H        ASN  48   7.847   3.780  -9.981
  388    HA   ASN  48           HA       ASN  48   7.292   5.626 -11.951
  389    HB2  ASN  48           1HB      ASN  48   5.926   2.995 -11.371
  390    HB3  ASN  48           2HB      ASN  48   5.647   3.929 -12.835
  391   HD21  ASN  48          1HD2      ASN  48   6.645   3.031 -14.468
  392   HD22  ASN  48          2HD2      ASN  48   8.244   2.353 -14.445
  393    H    CYS  49           H        CYS  49   5.239   4.584  -9.285
  394    HA   CYS  49           HA       CYS  49   3.015   6.177 -10.232
  395    HB2  CYS  49           1HB      CYS  49   3.381   4.556  -7.706
  396    HB3  CYS  49           2HB      CYS  49   1.945   5.507  -8.048
  397    H    SER  50           H        SER  50   5.593   6.461  -7.831
  398    HA   SER  50           HA       SER  50   4.340   8.596  -6.430
  399    HB2  SER  50           1HB      SER  50   6.601   8.832  -5.337
  400    HB3  SER  50           2HB      SER  50   5.863   7.236  -5.204
  401    HG   SER  50           HG       SER  50   8.225   7.580  -5.946
  402    H    PHE  51           H        PHE  51   7.046   8.460  -8.750
  403    HA   PHE  51           HA       PHE  51   7.231  11.321  -8.808
  404    HB2  PHE  51           1HB      PHE  51   8.866  11.059 -10.548
  405    HB3  PHE  51           2HB      PHE  51   9.205   9.930  -9.265
  406    HD1  PHE  51           HD1      PHE  51   7.054   9.788 -12.346
  407    HD2  PHE  51           HD2      PHE  51  10.215   8.071 -10.077
  408    HE1  PHE  51           HE1      PHE  51   7.276   7.998 -14.017
  409    HE2  PHE  51           HE2      PHE  51  10.435   6.274 -11.740
  410    HZ   PHE  51           HZ       PHE  51   8.967   6.235 -13.713
  411    H    GLY  52           H        GLY  52   5.203   9.046 -10.219
  412    HA2  GLY  52           2HA      GLY  52   4.516  10.594 -12.567
  413    HA3  GLY  52           1HA      GLY  52   3.739   9.115 -12.021
  414    H    LYS  53           H        LYS  53   1.754   9.317 -11.268
  415    HA   LYS  53           HA       LYS  53   0.954  11.710  -9.823
  416    HB2  LYS  53           1HB      LYS  53  -1.061  12.012 -11.231
  417    HB3  LYS  53           2HB      LYS  53   0.428  12.314 -12.116
  418    HG2  LYS  53           1HG      LYS  53   0.274  10.180 -13.212
  419    HG3  LYS  53           2HG      LYS  53  -1.116   9.729 -12.223
  420    HD2  LYS  53           1HD      LYS  53  -1.857  10.413 -14.423
  421    HD3  LYS  53           2HD      LYS  53  -2.395  11.585 -13.219
  422    HE2  LYS  53           1HE      LYS  53  -1.572  12.729 -15.183
  423    HE3  LYS  53           2HE      LYS  53  -0.506  13.034 -13.813
  424    HZ1  LYS  53           3HZ      LYS  53   0.282  10.746 -15.351
  425    HZ2  LYS  53           1HZ      LYS  53   1.202  12.083 -14.857
  426    HZ3  LYS  53           2HZ      LYS  53   0.266  12.167 -16.272
  427    H    GLN  54           H        GLN  54  -0.996  11.439  -8.646
  428    HA   GLN  54           HA       GLN  54  -2.487  10.349  -7.356
  429    HB2  GLN  54           1HB      GLN  54  -2.425   8.461  -9.697
  430    HB3  GLN  54           2HB      GLN  54  -3.506   8.237  -8.322
  431    HG2  GLN  54           1HG      GLN  54  -4.618  10.260  -8.739
  432    HG3  GLN  54           2HG      GLN  54  -3.381  10.787  -9.875
  433   HE21  GLN  54          1HE2      GLN  54  -3.477   7.834 -10.819
  434   HE22  GLN  54          2HE2      GLN  54  -4.778   7.859 -11.954
  435    H    ALA  55           H        ALA  55  -0.181  10.188  -6.341
  436    HA   ALA  55           HA       ALA  55   0.126   7.409  -5.430
  437    HB1  ALA  55           3HB      ALA  55   2.045   7.602  -6.627
  438    HB2  ALA  55           1HB      ALA  55   2.137   9.348  -6.403
  439    HB3  ALA  55           2HB      ALA  55   2.597   8.262  -5.087
  440    H    LYS  56           H        LYS  56   0.096  10.808  -4.712
  441    HA   LYS  56           HA       LYS  56   0.807  10.521  -1.939
  442    HB2  LYS  56           1HB      LYS  56  -0.352  12.796  -3.542
  443    HB3  LYS  56           2HB      LYS  56  -0.172  12.883  -1.796
  444    HG2  LYS  56           1HG      LYS  56   1.720  13.945  -2.665
  445    HG3  LYS  56           2HG      LYS  56   2.277  12.349  -2.162
  446    HD2  LYS  56           1HD      LYS  56   1.882  11.638  -4.585
  447    HD3  LYS  56           2HD      LYS  56   1.764  13.363  -4.945
  448    HE2  LYS  56           1HE      LYS  56   4.000  13.637  -3.850
  449    HE3  LYS  56           2HE      LYS  56   4.099  11.878  -3.771
  450    HZ1  LYS  56           3HZ      LYS  56   4.514  13.640  -6.001
  451    HZ2  LYS  56           1HZ      LYS  56   3.476  12.352  -6.368
  452    HZ3  LYS  56           2HZ      LYS  56   5.036  12.043  -5.775
  453    H    ASN  57           H        ASN  57  -1.883   9.894  -3.823
  454    HA   ASN  57           HA       ASN  57  -3.882  10.371  -1.798
  455    HB2  ASN  57           1HB      ASN  57  -4.157   8.665  -4.274
  456    HB3  ASN  57           2HB      ASN  57  -5.454   9.315  -3.288
  457   HD21  ASN  57          1HD2      ASN  57  -4.412   9.582  -6.172
  458   HD22  ASN  57          2HD2      ASN  57  -4.493  11.291  -6.462
  459    H    CYS  58           H        CYS  58  -4.980   8.797  -0.691
  460    HA   CYS  58           HA       CYS  58  -3.559   6.720   0.495
  461    HB2  CYS  58           1HB      CYS  58  -5.436   7.593   1.599
  462    HB3  CYS  58           2HB      CYS  58  -6.461   7.416   0.187
  463    H    ILE  59           H        ILE  59  -2.955   4.822  -0.252
  464    HA   ILE  59           HA       ILE  59  -3.372   4.022  -2.875
  465    HB   ILE  59           HB       ILE  59  -2.270   1.897  -2.230
  466   HG12  ILE  59          1HG1      ILE  59  -2.527   3.062   0.552
  467   HG13  ILE  59          2HG1      ILE  59  -3.210   1.548  -0.025
  468   HG21  ILE  59          1HG2      ILE  59  -1.265   4.563  -2.021
  469   HG22  ILE  59          2HG2      ILE  59  -0.428   3.537  -0.855
  470   HG23  ILE  59          3HG2      ILE  59  -0.435   3.104  -2.565
  471   HD11  ILE  59          3HD1      ILE  59  -0.366   1.565  -0.393
  472   HD12  ILE  59          1HD1      ILE  59  -0.781   1.940   1.281
  473   HD13  ILE  59          2HD1      ILE  59  -1.376   0.452   0.532
  474    H    ILE  60           H        ILE  60  -5.171   3.149  -0.009
  475    HA   ILE  60           HA       ILE  60  -6.338   0.821  -1.115
  476    HB   ILE  60           HB       ILE  60  -7.017   2.442   1.334
  477   HG12  ILE  60          1HG1      ILE  60  -5.910  -0.343   0.901
  478   HG13  ILE  60          2HG1      ILE  60  -4.977   1.074   1.372
  479   HG21  ILE  60          1HG2      ILE  60  -8.298  -0.076   1.446
  480   HG22  ILE  60          2HG2      ILE  60  -9.040   1.525   1.454
  481   HG23  ILE  60          3HG2      ILE  60  -8.777   0.681  -0.074
  482   HD11  ILE  60          3HD1      ILE  60  -5.872  -0.723   3.114
  483   HD12  ILE  60          1HD1      ILE  60  -5.675   0.983   3.517
  484   HD13  ILE  60          2HD1      ILE  60  -7.267   0.355   3.090
  485    H    CYS  61           H        CYS  61  -7.601   4.166  -0.808
  486    HA   CYS  61           HA       CYS  61  -9.885   3.277  -2.418
  487    HB2  CYS  61           1HB      CYS  61 -10.950   5.463  -1.855
  488    HB3  CYS  61           2HB      CYS  61 -10.655   4.423  -0.466
  489    H    ASN  62           H        ASN  62  -6.940   4.800  -2.699
  490    HA   ASN  62           HA       ASN  62  -5.891   6.112  -4.200
  491    HB2  ASN  62           1HB      ASN  62  -6.186   5.460  -6.574
  492    HB3  ASN  62           2HB      ASN  62  -5.944   4.087  -5.504
  493   HD21  ASN  62          1HD2      ASN  62  -8.052   5.638  -7.717
  494   HD22  ASN  62          2HD2      ASN  62  -9.316   4.459  -7.694
  495    H    LEU  63           H        LEU  63  -7.824   7.509  -3.019
  496    HA   LEU  63           HA       LEU  63  -8.696   9.335  -5.110
  497    HB2  LEU  63           1HB      LEU  63 -10.357   7.387  -4.574
  498    HB3  LEU  63           2HB      LEU  63 -10.711   8.318  -3.140
  499    HG   LEU  63           HG       LEU  63 -12.306   8.683  -5.006
  500   HD11  LEU  63          1HD1      LEU  63 -10.826  11.234  -4.522
  501   HD12  LEU  63          2HD1      LEU  63 -12.566  10.950  -4.611
  502   HD13  LEU  63          3HD1      LEU  63 -11.653  10.402  -3.204
  503   HD21  LEU  63          3HD2      LEU  63 -11.658   9.271  -7.066
  504   HD22  LEU  63          1HD2      LEU  63 -10.445  10.404  -6.466
  505   HD23  LEU  63          2HD2      LEU  63 -10.073   8.679  -6.561
  506    H    ASN  64           H        ASN  64  -9.265   8.661  -1.645
  507    HA   ASN  64           HA       ASN  64  -9.081  11.446  -0.937
  508    HB2  ASN  64           1HB      ASN  64  -9.101   8.937   0.755
  509    HB3  ASN  64           2HB      ASN  64  -9.082  10.566   1.420
  510   HD21  ASN  64          1HD2      ASN  64 -10.840  10.913  -1.262
  511   HD22  ASN  64          2HD2      ASN  64 -12.420  10.560  -0.658
  512    H    VAL  65           H        VAL  65  -7.316  12.514  -0.072
  513    HA   VAL  65           HA       VAL  65  -4.812  11.567  -0.906
  514    HB   VAL  65           HB       VAL  65  -5.504  13.980  -0.652
  515   HG11  VAL  65          1HG1      VAL  65  -4.362  14.313   1.939
  516   HG12  VAL  65          2HG1      VAL  65  -5.945  14.813   1.342
  517   HG13  VAL  65          3HG1      VAL  65  -5.726  13.199   2.017
  518   HG21  VAL  65          3HG2      VAL  65  -2.852  13.575   0.646
  519   HG22  VAL  65          1HG2      VAL  65  -3.119  12.932  -0.977
  520   HG23  VAL  65          2HG2      VAL  65  -3.314  14.659  -0.665
  521    H    GLY  66           H        GLY  66  -3.027  10.831   0.162
  522    HA2  GLY  66           2HA      GLY  66  -3.570   9.090   2.332
  523    HA3  GLY  66           1HA      GLY  66  -2.001   9.394   1.608
  524    H    VAL  67           H        VAL  67  -2.430   8.981   4.331
  525    HA   VAL  67           HA       VAL  67  -1.234  11.365   5.422
  526    HB   VAL  67           HB       VAL  67  -3.462  12.057   5.742
  527   HG11  VAL  67          1HG1      VAL  67  -4.421   9.679   7.184
  528   HG12  VAL  67          2HG1      VAL  67  -5.285  10.792   6.124
  529   HG13  VAL  67          3HG1      VAL  67  -4.249   9.542   5.434
  530   HG21  VAL  67          3HG2      VAL  67  -2.813  12.675   7.779
  531   HG22  VAL  67          1HG2      VAL  67  -3.738  11.285   8.356
  532   HG23  VAL  67          2HG2      VAL  67  -2.002  11.135   8.070
  533    H    ASN  68           H        ASN  68  -2.766   8.291   6.161
  534    HA   ASN  68           HA       ASN  68  -0.715   7.659   8.167
  535    HB2  ASN  68           1HB      ASN  68  -3.242   6.198   7.355
  536    HB3  ASN  68           2HB      ASN  68  -2.112   5.623   8.574
  537   HD21  ASN  68          1HD2      ASN  68  -2.129   8.902   8.812
  538   HD22  ASN  68          2HD2      ASN  68  -3.325   9.103  10.044
  539    H    ASP  69           H        ASP  69  -0.271   5.065   7.938
  540    HA   ASP  69           HA       ASP  69   0.635   4.652   5.146
  541    HB2  ASP  69           1HB      ASP  69   2.121   3.875   7.674
  542    HB3  ASP  69           2HB      ASP  69   2.636   3.505   6.034
  543    H    ALA  70           H        ALA  70   0.487   2.600   4.309
  544    HA   ALA  70           HA       ALA  70  -1.242   0.772   5.784
  545    HB1  ALA  70           3HB      ALA  70  -2.068   0.473   3.746
  546    HB2  ALA  70           1HB      ALA  70  -0.689   1.269   2.989
  547    HB3  ALA  70           2HB      ALA  70  -0.608  -0.449   3.386
  548    H    PHE  71           H        PHE  71  -0.749  -1.450   6.029
  549    HA   PHE  71           HA       PHE  71   2.112  -2.101   5.892
  550    HB2  PHE  71           1HB      PHE  71   0.253  -2.548   8.226
  551    HB3  PHE  71           2HB      PHE  71   1.748  -3.450   8.026
  552    HD1  PHE  71           HD2      PHE  71   0.558   0.090   8.073
  553    HD2  PHE  71           HD1      PHE  71   3.601  -2.698   9.106
  554    HE1  PHE  71           HE2      PHE  71   1.782   1.868   9.247
  555    HE2  PHE  71           HE1      PHE  71   4.823  -0.927  10.296
  556    HZ   PHE  71           HZ       PHE  71   3.918   1.362  10.363
  557    H    TYR  72           H        TYR  72   2.546  -4.056   5.061
  558    HA   TYR  72           HA       TYR  72   0.437  -5.707   4.018
  559    HB2  TYR  72           1HB      TYR  72   3.358  -6.413   4.385
  560    HB3  TYR  72           2HB      TYR  72   2.202  -7.245   3.355
  561    HD1  TYR  72           HD2      TYR  72   1.118  -5.751   1.472
  562    HD2  TYR  72           HD1      TYR  72   4.772  -4.864   3.457
  563    HE1  TYR  72           HE2      TYR  72   1.789  -4.330  -0.421
  564    HE2  TYR  72           HE1      TYR  72   5.462  -3.446   1.576
  565    HH   TYR  72           HH       TYR  72   3.826  -3.397  -1.423
  566    H    CYS  73           H        CYS  73  -0.685  -7.148   5.175
  567    HA   CYS  73           HA       CYS  73  -0.061  -7.660   7.890
  568    HB2  CYS  73           1HB      CYS  73  -2.053  -8.872   8.003
  569    HB3  CYS  73           2HB      CYS  73  -2.376  -7.688   6.743
  570    H    TRP  74           H        TRP  74   0.564  -9.620   8.865
  571    HA   TRP  74           HA       TRP  74   2.722 -10.890   7.679
  572    HB2  TRP  74           1HB      TRP  74   2.311 -10.840  10.105
  573    HB3  TRP  74           2HB      TRP  74   0.965 -11.955   9.897
  574    HD1  TRP  74           HD1      TRP  74   4.549 -12.209   8.422
  575    HE1  TRP  74           HE1      TRP  74   5.543 -14.480   9.141
  576    HE3  TRP  74           HE3      TRP  74   0.713 -13.863  11.351
  577    HZ2  TRP  74           HZ2      TRP  74   4.784 -16.675  10.737
  578    HZ3  TRP  74           HZ3      TRP  74   0.921 -16.060  12.439
  579    HH2  TRP  74           HH2      TRP  74   2.915 -17.437  12.137
  580    H    GLU  75           H        GLU  75  -0.667 -11.700   7.564
  581    HA   GLU  75           HA       GLU  75  -0.497 -14.331   6.592
  582    HB2  GLU  75           1HB      GLU  75  -2.583 -12.211   6.038
  583    HB3  GLU  75           2HB      GLU  75  -2.770 -13.928   5.703
  584    HG2  GLU  75           1HG      GLU  75  -2.318 -12.753   8.433
  585    HG3  GLU  75           2HG      GLU  75  -3.890 -13.204   7.772
  586    H    CYS  76           H        CYS  76  -0.553 -11.208   4.911
  587    HA   CYS  76           HA       CYS  76  -0.396 -12.311   2.287
  588    HB2  CYS  76           1HB      CYS  76   0.028  -9.560   3.415
  589    HB3  CYS  76           2HB      CYS  76   0.400  -9.914   1.732
  590    H    CYS  77           H        CYS  77   1.974 -11.214   4.650
  591    HA   CYS  77           HA       CYS  77   4.243 -11.376   2.967
  592    HB2  CYS  77           1HB      CYS  77   4.012 -11.690   5.967
  593    HB3  CYS  77           2HB      CYS  77   5.529 -11.504   5.092
  594    HG   CYS  77           HG       CYS  77   4.860  -8.940   4.120
  595    H    ARG  78           H        ARG  78   2.612 -13.688   5.063
  596    HA   ARG  78           HA       ARG  78   4.403 -15.841   4.797
  597    HB2  ARG  78           1HB      ARG  78   2.455 -15.558   6.438
  598    HB3  ARG  78           2HB      ARG  78   1.412 -16.087   5.132
  599    HG2  ARG  78           1HG      ARG  78   3.728 -17.797   5.858
  600    HG3  ARG  78           2HG      ARG  78   2.331 -17.761   6.936
  601    HD2  ARG  78           1HD      ARG  78   0.894 -18.282   4.977
  602    HD3  ARG  78           2HD      ARG  78   2.354 -18.480   4.010
  603    HE   ARG  78           HE       ARG  78   2.603 -20.554   4.910
  604   HH11  ARG  78          2HH1      ARG  78   0.464 -18.725   7.010
  605   HH12  ARG  78          1HH1      ARG  78   0.247 -20.031   8.133
  606   HH21  ARG  78          2HH2      ARG  78   2.292 -22.277   6.383
  607   HH22  ARG  78          1HH2      ARG  78   1.236 -22.058   7.747
  608    H    LEU  79           H        LEU  79   1.622 -14.819   2.880
  609    HA   LEU  79           HA       LEU  79   1.710 -17.016   1.058
  610    HB2  LEU  79           1HB      LEU  79   0.490 -14.267   0.792
  611    HB3  LEU  79           2HB      LEU  79   0.251 -15.576  -0.351
  612    HG   LEU  79           HG       LEU  79  -0.601 -15.613   2.547
  613   HD11  LEU  79          1HD1      LEU  79  -2.593 -14.810   1.933
  614   HD12  LEU  79          2HD1      LEU  79  -1.782 -14.267   0.464
  615   HD13  LEU  79          3HD1      LEU  79  -2.644 -15.806   0.478
  616   HD21  LEU  79          3HD2      LEU  79  -0.208 -17.841   2.006
  617   HD22  LEU  79          1HD2      LEU  79  -1.921 -17.635   1.640
  618   HD23  LEU  79          2HD2      LEU  79  -0.733 -17.628   0.336
  619    H    GLY  80           H        GLY  80   3.168 -13.833   1.196
  620    HA2  GLY  80           2HA      GLY  80   5.162 -13.203   0.138
  621    HA3  GLY  80           1HA      GLY  80   5.017 -14.597  -0.923
  622    H    LYS  81           H        LYS  81   2.558 -12.155  -0.285
  623    HA   LYS  81           HA       LYS  81   2.496 -11.544  -3.147
  624    HB2  LYS  81           1HB      LYS  81   0.592 -10.734  -0.943
  625    HB3  LYS  81           2HB      LYS  81   0.385 -10.373  -2.649
  626    HG2  LYS  81           1HG      LYS  81   0.381 -12.847  -3.073
  627    HG3  LYS  81           2HG      LYS  81   0.315 -13.069  -1.324
  628    HD2  LYS  81           1HD      LYS  81  -1.920 -13.195  -2.189
  629    HD3  LYS  81           2HD      LYS  81  -1.754 -11.685  -1.288
  630    HE2  LYS  81           1HE      LYS  81  -1.545 -10.424  -3.310
  631    HE3  LYS  81           2HE      LYS  81  -1.439 -11.893  -4.277
  632    HZ1  LYS  81           3HZ      LYS  81  -3.673 -10.555  -4.041
  633    HZ2  LYS  81           1HZ      LYS  81  -3.838 -11.507  -2.644
  634    HZ3  LYS  81           2HZ      LYS  81  -3.662 -12.246  -4.156
  635    H    ASP  82           H        ASP  82   3.279 -10.173  -0.075
  636    HA   ASP  82           HA       ASP  82   3.278  -7.444  -0.747
  637    HB2  ASP  82           1HB      ASP  82   4.637  -7.129   1.268
  638    HB3  ASP  82           2HB      ASP  82   3.282  -8.206   1.570
  639    H    LYS  83           H        LYS  83   5.639  -9.954  -1.214
  640    HA   LYS  83           HA       LYS  83   7.918  -8.393  -1.470
  641    HB2  LYS  83           1HB      LYS  83   8.970 -10.289  -2.512
  642    HB3  LYS  83           2HB      LYS  83   7.917 -10.854  -1.225
  643    HG2  LYS  83           1HG      LYS  83   6.225 -11.464  -2.877
  644    HG3  LYS  83           2HG      LYS  83   7.284 -10.897  -4.168
  645    HD2  LYS  83           1HD      LYS  83   7.862 -13.149  -2.244
  646    HD3  LYS  83           2HD      LYS  83   7.428 -13.316  -3.945
  647    HE2  LYS  83           1HE      LYS  83   9.899 -11.946  -2.890
  648    HE3  LYS  83           2HE      LYS  83   9.843 -13.571  -3.568
  649    HZ1  LYS  83           3HZ      LYS  83  10.084 -11.102  -4.915
  650    HZ2  LYS  83           1HZ      LYS  83   8.666 -11.881  -5.437
  651    HZ3  LYS  83           2HZ      LYS  83  10.162 -12.672  -5.550
  652    H    ASP  84           H        ASP  84   5.311  -8.735  -3.697
  653    HA   ASP  84           HA       ASP  84   6.745  -8.176  -6.083
  654    HB2  ASP  84           1HB      ASP  84   3.834  -7.929  -5.362
  655    HB3  ASP  84           2HB      ASP  84   4.444  -7.432  -6.935
  656    H    GLY  85           H        GLY  85   5.001  -6.107  -3.780
  657    HA2  GLY  85           2HA      GLY  85   6.356  -4.123  -3.235
  658    HA3  GLY  85           1HA      GLY  85   6.515  -3.866  -4.962
  659    H    CYS  86           H        CYS  86   5.397  -2.315  -5.702
  660    HA   CYS  86           HA       CYS  86   3.932  -0.516  -4.390
  661    HB2  CYS  86           1HB      CYS  86   4.833  -0.425  -6.732
  662    HB3  CYS  86           2HB      CYS  86   3.393  -1.278  -7.260
  663    HA   PRO  87           HA       PRO  87   0.052  -2.711  -3.672
  664    HB2  PRO  87           1HB      PRO  87  -0.555  -1.518  -1.370
  665    HB3  PRO  87           2HB      PRO  87   0.746  -2.715  -1.450
  666    HG2  PRO  87           1HG      PRO  87   0.915   0.269  -1.375
  667    HG3  PRO  87           2HG      PRO  87   1.923  -0.931  -0.549
  668    HD2  PRO  87           1HD      PRO  87   2.592   0.366  -2.911
  669    HD3  PRO  87           2HD      PRO  87   3.308  -1.154  -2.343
  670    H    ARG  88           H        ARG  88   0.545  -0.070  -5.211
  671    HA   ARG  88           HA       ARG  88  -1.714   1.577  -4.588
  672    HB2  ARG  88           1HB      ARG  88   0.557   1.718  -6.309
  673    HB3  ARG  88           2HB      ARG  88  -0.884   1.930  -7.295
  674    HG2  ARG  88           1HG      ARG  88  -1.406   3.533  -5.152
  675    HG3  ARG  88           2HG      ARG  88   0.338   3.719  -5.345
  676    HD2  ARG  88           1HD      ARG  88  -0.895   5.385  -6.656
  677    HD3  ARG  88           2HD      ARG  88   0.035   4.297  -7.688
  678    HE   ARG  88           HE       ARG  88  -2.586   3.315  -7.363
  679   HH11  ARG  88          2HH1      ARG  88  -0.842   5.859  -8.992
  680   HH12  ARG  88          1HH1      ARG  88  -1.982   5.998 -10.296
  681   HH21  ARG  88          2HH2      ARG  88  -4.136   3.515  -9.031
  682   HH22  ARG  88          1HH2      ARG  88  -3.871   4.662 -10.316
  683    H    ILE  89           H        ILE  89  -3.748   1.169  -5.124
  684    HA   ILE  89           HA       ILE  89  -4.407  -1.147  -6.700
  685    HB   ILE  89           HB       ILE  89  -5.941   0.853  -5.079
  686   HG12  ILE  89          1HG1      ILE  89  -4.827  -0.920  -3.855
  687   HG13  ILE  89          2HG1      ILE  89  -6.568  -1.150  -3.770
  688   HG21  ILE  89          1HG2      ILE  89  -7.023  -0.434  -7.330
  689   HG22  ILE  89          2HG2      ILE  89  -7.696  -1.221  -5.903
  690   HG23  ILE  89          3HG2      ILE  89  -7.855   0.523  -6.105
  691   HD11  ILE  89          3HD1      ILE  89  -4.694  -2.650  -5.588
  692   HD12  ILE  89          1HD1      ILE  89  -5.380  -3.259  -4.082
  693   HD13  ILE  89          2HD1      ILE  89  -6.433  -2.904  -5.450
  694    H    LEU  90           H        LEU  90  -5.135  -1.227  -8.786
  695    HA   LEU  90           HA       LEU  90  -6.488   0.924 -10.055
  696    HB2  LEU  90           1HB      LEU  90  -4.846   1.420 -11.756
  697    HB3  LEU  90           2HB      LEU  90  -4.244   1.842 -10.170
  698    HG   LEU  90           HG       LEU  90  -3.511  -0.801 -11.372
  699   HD11  LEU  90          1HD1      LEU  90  -1.979   1.749 -11.873
  700   HD12  LEU  90          2HD1      LEU  90  -1.655   0.143 -12.526
  701   HD13  LEU  90          3HD1      LEU  90  -3.080   1.038 -13.054
  702   HD21  LEU  90          3HD2      LEU  90  -2.981  -0.360  -9.058
  703   HD22  LEU  90          1HD2      LEU  90  -1.522  -0.474 -10.041
  704   HD23  LEU  90          2HD2      LEU  90  -2.114   1.106  -9.525
  705    H    ASN  91           H        ASN  91  -6.965  -1.917  -9.707
  706    HA   ASN  91           HA       ASN  91  -6.442  -3.503 -11.896
  707    HB2  ASN  91           1HB      ASN  91  -8.544  -4.708 -11.496
  708    HB3  ASN  91           2HB      ASN  91  -7.680  -4.402 -10.000
  709   HD21  ASN  91          1HD2      ASN  91  -8.434  -1.755  -9.615
  710   HD22  ASN  91          2HD2      ASN  91 -10.118  -1.704  -9.243
  711    H    LEU  92           H        LEU  92  -7.278  -3.858 -13.864
  712    HA   LEU  92           HA       LEU  92  -7.804  -1.716 -15.431
  713    HB2  LEU  92           1HB      LEU  92  -7.212  -4.144 -16.024
  714    HB3  LEU  92           2HB      LEU  92  -8.945  -4.408 -16.086
  715    HG   LEU  92           HG       LEU  92  -9.063  -2.533 -17.776
  716   HD11  LEU  92          1HD1      LEU  92  -6.185  -2.974 -18.332
  717   HD12  LEU  92          2HD1      LEU  92  -7.202  -1.570 -18.656
  718   HD13  LEU  92          3HD1      LEU  92  -6.614  -1.874 -17.022
  719   HD21  LEU  92          3HD2      LEU  92  -8.635  -5.210 -18.096
  720   HD22  LEU  92          1HD2      LEU  92  -9.026  -4.078 -19.389
  721   HD23  LEU  92          2HD2      LEU  92  -7.345  -4.507 -19.073
  722    H    GLY  93           H        GLY  93  -9.390  -0.337 -15.524
  723    HA2  GLY  93           2HA      GLY  93 -12.161  -1.331 -15.359
  724    HA3  GLY  93           1HA      GLY  93 -11.681   0.146 -14.525
  725    H    SER  94           H        SER  94 -11.166  -1.285 -17.714
  726    HA   SER  94           HA       SER  94 -11.303  -0.468 -19.820
  727    HB2  SER  94           1HB      SER  94 -12.876   1.816 -18.608
  728    HB3  SER  94           2HB      SER  94 -12.713   1.476 -20.331
  729    HG   SER  94           HG       SER  94 -14.083   0.005 -18.344
  730    H    ASN  95           H        ASN  95  -9.024  -0.191 -18.513
  731    HA   ASN  95           HA       ASN  95  -8.026   2.454 -19.338
  732    HB2  ASN  95           1HB      ASN  95  -7.460   0.933 -16.805
  733    HB3  ASN  95           2HB      ASN  95  -6.320   2.121 -17.428
  734   HD21  ASN  95          1HD2      ASN  95  -6.526   4.085 -16.687
  735   HD22  ASN  95          2HD2      ASN  95  -7.959   4.776 -16.006
  736    H    ARG  96           H        ARG  96  -8.057  -0.324 -20.541
  737    HA   ARG  96           HA       ARG  96  -5.415  -1.357 -20.450
  738    HB2  ARG  96           1HB      ARG  96  -7.561  -2.542 -21.196
  739    HB3  ARG  96           2HB      ARG  96  -7.355  -1.718 -22.733
  740    HG2  ARG  96           1HG      ARG  96  -5.101  -3.325 -21.634
  741    HG3  ARG  96           2HG      ARG  96  -6.470  -4.150 -22.377
  742    HD2  ARG  96           1HD      ARG  96  -6.138  -2.785 -24.412
  743    HD3  ARG  96           2HD      ARG  96  -4.718  -2.059 -23.662
  744    HE   ARG  96           HE       ARG  96  -4.354  -4.813 -23.580
  745   HH11  ARG  96          2HH1      ARG  96  -4.700  -2.321 -26.020
  746   HH12  ARG  96          1HH1      ARG  96  -3.730  -3.156 -27.194
  747   HH21  ARG  96          2HH2      ARG  96  -3.062  -5.908 -25.136
  748   HH22  ARG  96          1HH2      ARG  96  -2.825  -5.183 -26.705
  749    H    LEU  97           H        LEU  97  -7.042   1.022 -22.396
  750    HA   LEU  97           HA       LEU  97  -4.500   2.045 -23.290
  751    HB2  LEU  97           1HB      LEU  97  -5.678   2.208 -25.691
  752    HB3  LEU  97           2HB      LEU  97  -4.585   0.917 -25.239
  753    HG   LEU  97           HG       LEU  97  -6.673  -0.398 -24.564
  754   HD11  LEU  97          1HD1      LEU  97  -8.024   1.634 -26.333
  755   HD12  LEU  97          2HD1      LEU  97  -8.755   0.207 -25.599
  756   HD13  LEU  97          3HD1      LEU  97  -8.214   1.543 -24.582
  757   HD21  LEU  97          3HD2      LEU  97  -5.322  -0.891 -26.523
  758   HD22  LEU  97          1HD2      LEU  97  -7.036  -1.138 -26.859
  759   HD23  LEU  97          2HD2      LEU  97  -6.217   0.307 -27.456
  760    H    ASP  98           H        ASP  98  -5.758   3.313 -21.541
  761    HA   ASP  98           HA       ASP  98  -8.034   4.781 -22.176
  762    HB2  ASP  98           1HB      ASP  98  -7.232   4.542 -19.879
  763    HB3  ASP  98           2HB      ASP  98  -5.810   5.510 -20.259
  764    H    ARG  99           H        ARG  99  -8.414   6.461 -23.394
  765    HA   ARG  99           HA       ARG  99  -6.417   8.478 -23.949
  766    HB2  ARG  99           1HB      ARG  99  -6.048   6.610 -25.639
  767    HB3  ARG  99           2HB      ARG  99  -7.651   6.969 -26.263
  768    HG2  ARG  99           1HG      ARG  99  -6.893   9.286 -26.726
  769    HG3  ARG  99           2HG      ARG  99  -5.268   8.807 -26.229
  770    HD2  ARG  99           1HD      ARG  99  -5.339   7.027 -27.980
  771    HD3  ARG  99           2HD      ARG  99  -6.870   7.701 -28.532
  772    HE   ARG  99           HE       ARG  99  -4.939   9.745 -28.460
  773   HH11  ARG  99          2HH1      ARG  99  -5.814   6.893 -30.299
  774   HH12  ARG  99          1HH1      ARG  99  -4.985   7.409 -31.742
  775   HH21  ARG  99          2HH2      ARG  99  -3.818  10.413 -30.344
  776   HH22  ARG  99          1HH2      ARG  99  -3.867   9.421 -31.775
  777    H    HIS 100           H        HIS 100  -8.491   8.954 -22.504
  778    HA   HIS 100           HA       HIS 100 -10.944   9.350 -23.847
  779    HB2  HIS 100           1HB      HIS 100  -9.871  10.034 -21.165
  780    HB3  HIS 100           2HB      HIS 100 -11.269  10.945 -21.725
  781    HD1  HIS 100           HD1      HIS 100 -10.212   7.350 -21.084
  782    HD2  HIS 100           HD2      HIS 100 -13.656   9.656 -21.479
  783    HE1  HIS 100           HE1      HIS 100 -12.129   5.815 -20.541
  784    HE2  HIS 100           HE2      HIS 100 -14.202   7.230 -20.759
  785    H    PHE 101           H        PHE 101 -11.858  11.050 -24.762
  786    HA   PHE 101           HA       PHE 101 -10.632  13.671 -24.608
  787    HB2  PHE 101           1HB      PHE 101 -10.920  13.853 -27.194
  788    HB3  PHE 101           2HB      PHE 101  -9.469  13.106 -26.545
  789    HD1  PHE 101           HD1      PHE 101 -12.930  11.834 -27.237
  790    HD2  PHE 101           HD2      PHE 101  -8.744  11.434 -27.904
  791    HE1  PHE 101           HE1      PHE 101 -13.340   9.822 -28.593
  792    HE2  PHE 101           HE2      PHE 101  -9.149   9.423 -29.258
  793    HZ   PHE 101           HZ       PHE 101 -11.449   8.617 -29.606
  794    H    GLU 102           H        GLU 102 -12.860  12.756 -23.432
  795    HA   GLU 102           HA       GLU 102 -15.255  13.146 -24.899
  796    HB2  GLU 102           1HB      GLU 102 -16.357  13.162 -22.705
  797    HB3  GLU 102           2HB      GLU 102 -15.226  11.828 -22.846
  798    HG2  GLU 102           1HG      GLU 102 -14.447  14.392 -21.505
  799    HG3  GLU 102           2HG      GLU 102 -15.336  13.139 -20.647
  800    H    LYS 103           H        LYS 103 -13.155  15.231 -23.052
  801    HA   LYS 103           HA       LYS 103 -14.862  17.540 -23.206
  802    HB2  LYS 103           1HB      LYS 103 -12.877  18.793 -22.420
  803    HB3  LYS 103           2HB      LYS 103 -13.265  17.425 -21.390
  804    HG2  LYS 103           1HG      LYS 103 -11.194  17.206 -23.545
  805    HG3  LYS 103           2HG      LYS 103 -10.806  17.873 -21.959
  806    HD2  LYS 103           1HD      LYS 103 -11.520  15.812 -20.893
  807    HD3  LYS 103           2HD      LYS 103 -12.001  15.149 -22.455
  808    HE2  LYS 103           1HE      LYS 103  -9.644  15.354 -23.206
  809    HE3  LYS 103           2HE      LYS 103  -9.210  15.871 -21.576
  810    HZ1  LYS 103           3HZ      LYS 103  -9.219  13.781 -20.860
  811    HZ2  LYS 103           1HZ      LYS 103  -9.304  13.297 -22.481
  812    HZ3  LYS 103           2HZ      LYS 103 -10.726  13.445 -21.567
  813    H    LYS 104           H        LYS 104 -14.124  19.529 -24.360
  814    HA   LYS 104           HA       LYS 104 -13.721  18.856 -27.121
  815    HB2  LYS 104           1HB      LYS 104 -14.195  21.439 -25.656
  816    HB3  LYS 104           2HB      LYS 104 -13.804  21.422 -27.370
  817    HG2  LYS 104           1HG      LYS 104 -16.161  21.560 -27.185
  818    HG3  LYS 104           2HG      LYS 104 -15.780  19.924 -27.720
  819    HD2  LYS 104           1HD      LYS 104 -16.054  19.112 -25.427
  820    HD3  LYS 104           2HD      LYS 104 -16.431  20.749 -24.890
  821    HE2  LYS 104           1HE      LYS 104 -18.402  20.784 -26.318
  822    HE3  LYS 104           2HE      LYS 104 -18.011  19.172 -26.914
  823    HZ1  LYS 104           3HZ      LYS 104 -18.095  18.579 -24.398
  824    HZ2  LYS 104           1HZ      LYS 104 -19.531  18.702 -25.287
  825    HZ3  LYS 104           2HZ      LYS 104 -19.043  19.976 -24.285
  826    H    LYS 105           H        LYS 105 -11.481  17.962 -26.119
  827    HA   LYS 105           HA       LYS 105  -9.486  19.450 -27.460
  828    HB2  LYS 105           1HB      LYS 105  -8.001  19.942 -25.584
  829    HB3  LYS 105           2HB      LYS 105  -9.520  20.809 -25.423
  830    HG2  LYS 105           1HG      LYS 105 -10.280  19.043 -23.841
  831    HG3  LYS 105           2HG      LYS 105  -8.659  18.353 -23.917
  832    HD2  LYS 105           1HD      LYS 105  -7.742  20.504 -23.133
  833    HD3  LYS 105           2HD      LYS 105  -9.387  21.125 -22.988
  834    HE2  LYS 105           1HE      LYS 105  -9.895  19.335 -21.377
  835    HE3  LYS 105           2HE      LYS 105  -8.225  18.781 -21.489
  836    HZ1  LYS 105           3HZ      LYS 105  -9.208  21.364 -20.412
  837    HZ2  LYS 105           1HZ      LYS 105  -7.569  21.063 -20.740
  838    HZ3  LYS 105           2HZ      LYS 105  -8.390  20.138 -19.575
  839    H    LYS 106           H        LYS 106  -7.657  18.243 -27.843
  840    HA   LYS 106           HA       LYS 106  -7.464  15.603 -26.624
  841    HB2  LYS 106           1HB      LYS 106  -8.850  15.246 -28.582
  842    HB3  LYS 106           2HB      LYS 106  -7.694  16.110 -29.583
  843    HG2  LYS 106           1HG      LYS 106  -6.020  14.328 -29.010
  844    HG3  LYS 106           2HG      LYS 106  -7.345  13.431 -28.267
  845    HD2  LYS 106           1HD      LYS 106  -8.534  13.385 -30.386
  846    HD3  LYS 106           2HD      LYS 106  -7.263  14.351 -31.135
  847    HE2  LYS 106           1HE      LYS 106  -5.647  12.545 -30.626
  848    HE3  LYS 106           2HE      LYS 106  -6.982  11.572 -30.011
  849    HZ1  LYS 106           3HZ      LYS 106  -7.700  12.489 -32.543
  850    HZ2  LYS 106           1HZ      LYS 106  -7.371  10.893 -32.063
  851    HZ3  LYS 106           2HZ      LYS 106  -6.121  11.876 -32.662
  852    H    VAL 107           H        VAL 107  -6.142  17.882 -28.859
  853    HA   VAL 107           HA       VAL 107  -3.611  17.996 -27.691
  854    HB   VAL 107           HB       VAL 107  -3.332  15.729 -28.632
  855   HG11  VAL 107          1HG1      VAL 107  -2.954  16.239 -31.368
  856   HG12  VAL 107          2HG1      VAL 107  -4.179  15.217 -30.615
  857   HG13  VAL 107          3HG1      VAL 107  -4.527  16.914 -30.946
  858   HG21  VAL 107          3HG2      VAL 107  -1.219  16.185 -29.889
  859   HG22  VAL 107          1HG2      VAL 107  -1.636  17.898 -29.847
  860   HG23  VAL 107          2HG2      VAL 107  -1.351  17.023 -28.343
  Start of MODEL   18
    1    H1   GLY  -1           1H       GLY  -1 -23.396   4.185 -11.025
    2    H2   GLY  -1           2H       GLY  -1 -22.126   3.321 -11.747
    3    H3   GLY  -1           3H       GLY  -1 -21.789   4.582 -10.665
    4    HA2  GLY  -1           1HA      GLY  -1 -23.423   2.856  -9.276
    5    HA3  GLY  -1           2HA      GLY  -1 -22.271   1.841 -10.131
    6    H    GLY   0           H        GLY   0 -22.697   2.803  -7.238
    7    HA2  GLY   0           2HA      GLY   0 -19.895   2.939  -6.598
    8    HA3  GLY   0           1HA      GLY   0 -20.731   4.464  -6.334
    9    H    SER   1           H        SER   1 -19.503   2.270  -4.588
   10    HA   SER   1           HA       SER   1 -19.853   1.312  -2.567
   11    HB2  SER   1           1HB      SER   1 -22.136   3.295  -2.395
   12    HB3  SER   1           2HB      SER   1 -21.436   2.415  -1.036
   13    HG   SER   1           HG       SER   1 -20.652   4.724  -1.987
   14    H    SER   2           H        SER   2 -20.898   0.007  -4.760
   15    HA   SER   2           HA       SER   2 -23.525  -0.991  -4.005
   16    HB2  SER   2           1HB      SER   2 -21.813  -1.735  -6.386
   17    HB3  SER   2           2HB      SER   2 -23.525  -2.097  -6.163
   18    HG   SER   2           HG       SER   2 -23.607   0.378  -5.924
   19    H    ARG   3           H        ARG   3 -20.182  -1.876  -3.971
   20    HA   ARG   3           HA       ARG   3 -19.035  -3.562  -2.984
   21    HB2  ARG   3           1HB      ARG   3 -21.721  -4.473  -1.946
   22    HB3  ARG   3           2HB      ARG   3 -20.170  -5.140  -1.460
   23    HG2  ARG   3           1HG      ARG   3 -19.525  -2.980  -0.531
   24    HG3  ARG   3           2HG      ARG   3 -21.075  -2.300  -1.033
   25    HD2  ARG   3           1HD      ARG   3 -22.201  -4.030   0.365
   26    HD3  ARG   3           2HD      ARG   3 -20.613  -4.512   0.958
   27    HE   ARG   3           HE       ARG   3 -22.157  -2.263   1.787
   28   HH11  ARG   3          2HH1      ARG   3 -18.863  -3.455   1.465
   29   HH12  ARG   3          1HH1      ARG   3 -18.211  -2.294   2.585
   30   HH21  ARG   3          2HH2      ARG   3 -21.284  -0.743   3.239
   31   HH22  ARG   3          1HH2      ARG   3 -19.585  -0.781   3.614
   32    H    HIS   4           H        HIS   4 -18.255  -5.472  -3.634
   33    HA   HIS   4           HA       HIS   4 -19.658  -7.613  -4.691
   34    HB2  HIS   4           1HB      HIS   4 -19.181  -7.536  -7.088
   35    HB3  HIS   4           2HB      HIS   4 -20.159  -6.148  -6.632
   36    HD1  HIS   4           HD1      HIS   4 -18.755  -3.828  -6.376
   37    HD2  HIS   4           HD2      HIS   4 -16.910  -6.926  -8.448
   38    HE1  HIS   4           HE1      HIS   4 -16.834  -2.776  -7.594
   39    HE2  HIS   4           HE2      HIS   4 -15.587  -4.702  -8.624
   40    H    GLN   5           H        GLN   5 -16.704  -5.723  -4.922
   41    HA   GLN   5           HA       GLN   5 -15.091  -7.898  -3.978
   42    HB2  GLN   5           1HB      GLN   5 -14.901  -6.973  -6.836
   43    HB3  GLN   5           2HB      GLN   5 -13.486  -7.580  -5.996
   44    HG2  GLN   5           1HG      GLN   5 -14.648  -9.694  -5.603
   45    HG3  GLN   5           2HG      GLN   5 -16.038  -9.081  -6.495
   46   HE21  GLN   5          1HE2      GLN   5 -13.530 -11.067  -6.756
   47   HE22  GLN   5          2HE2      GLN   5 -13.212 -10.956  -8.458
   48    H    PHE   6           H        PHE   6 -12.750  -7.178  -3.917
   49    HA   PHE   6           HA       PHE   6 -12.520  -4.524  -2.863
   50    HB2  PHE   6           1HB      PHE   6 -11.105  -6.406  -2.091
   51    HB3  PHE   6           2HB      PHE   6 -10.360  -6.485  -3.685
   52    HD1  PHE   6           HD2      PHE   6 -11.173  -3.660  -1.382
   53    HD2  PHE   6           HD1      PHE   6  -8.195  -5.767  -3.574
   54    HE1  PHE   6           HE2      PHE   6  -9.494  -2.007  -0.681
   55    HE2  PHE   6           HE1      PHE   6  -6.509  -4.118  -2.873
   56    HZ   PHE   6           HZ       PHE   6  -7.157  -2.235  -1.426
   57    H    ASP   7           H        ASP   7 -12.358  -5.960  -5.949
   58    HA   ASP   7           HA       ASP   7 -12.138  -5.139  -8.038
   59    HB2  ASP   7           1HB      ASP   7 -12.394  -2.641  -6.474
   60    HB3  ASP   7           2HB      ASP   7 -11.656  -2.483  -8.065
   61    H    LEU   8           H        LEU   8 -10.272  -6.438  -7.827
   62    HA   LEU   8           HA       LEU   8  -7.757  -5.515  -7.080
   63    HB2  LEU   8           1HB      LEU   8  -8.519  -7.756  -8.873
   64    HB3  LEU   8           2HB      LEU   8  -7.039  -7.656  -7.954
   65    HG   LEU   8           HG       LEU   8  -8.241  -9.113  -6.708
   66   HD11  LEU   8          1HD1      LEU   8  -8.189  -8.089  -4.770
   67   HD12  LEU   8          2HD1      LEU   8  -8.020  -6.580  -5.666
   68   HD13  LEU   8          3HD1      LEU   8  -9.617  -7.141  -5.183
   69   HD21  LEU   8          3HD2      LEU   8 -10.401  -9.567  -6.879
   70   HD22  LEU   8          1HD2      LEU   8 -10.860  -7.897  -6.549
   71   HD23  LEU   8          2HD2      LEU   8 -10.400  -8.382  -8.184
   72    H    ILE   9           H        ILE   9  -6.377  -4.246  -8.160
   73    HA   ILE   9           HA       ILE   9  -5.473  -4.889 -10.782
   74    HB   ILE   9           HB       ILE   9  -5.791  -2.261 -11.225
   75   HG12  ILE   9          1HG1      ILE   9  -8.106  -1.654 -10.787
   76   HG13  ILE   9          2HG1      ILE   9  -8.340  -3.173  -9.937
   77   HG21  ILE   9          1HG2      ILE   9  -6.388  -3.260 -13.115
   78   HG22  ILE   9          2HG2      ILE   9  -6.966  -4.687 -12.257
   79   HG23  ILE   9          3HG2      ILE   9  -8.028  -3.295 -12.466
   80   HD11  ILE   9          3HD1      ILE   9  -7.440  -0.687  -8.933
   81   HD12  ILE   9          1HD1      ILE   9  -7.724  -2.193  -8.064
   82   HD13  ILE   9          2HD1      ILE   9  -6.136  -1.863  -8.751
   83    H    MET  10           H        MET  10  -4.165  -4.878  -8.421
   84    HA   MET  10           HA       MET  10  -3.102  -2.370  -7.736
   85    HB2  MET  10           1HB      MET  10  -1.140  -4.355  -7.114
   86    HB3  MET  10           2HB      MET  10  -2.177  -3.456  -6.028
   87    HG2  MET  10           1HG      MET  10  -3.067  -5.959  -7.415
   88    HG3  MET  10           2HG      MET  10  -2.237  -5.967  -5.865
   89    HE1  MET  10           3HE      MET  10  -4.287  -4.358  -3.408
   90    HE2  MET  10           1HE      MET  10  -2.793  -4.036  -4.293
   91    HE3  MET  10           2HE      MET  10  -4.207  -3.005  -4.537
   92    H    CYS  11           H        CYS  11  -1.589  -1.212  -8.460
   93    HA   CYS  11           HA       CYS  11  -0.456  -1.176 -10.889
   94    HB2  CYS  11           1HB      CYS  11  -0.373   0.618  -9.232
   95    HB3  CYS  11           2HB      CYS  11   0.766  -0.297  -8.266
   96    H    LEU  12           H        LEU  12   0.952  -2.724  -8.035
   97    HA   LEU  12           HA       LEU  12   2.738  -4.086  -7.727
   98    HB2  LEU  12           1HB      LEU  12   0.626  -5.182  -9.262
   99    HB3  LEU  12           2HB      LEU  12   2.131  -5.927  -9.776
  100    HG   LEU  12           HG       LEU  12   2.625  -6.589  -7.502
  101   HD11  LEU  12          1HD1      LEU  12   0.028  -5.992  -6.354
  102   HD12  LEU  12          2HD1      LEU  12   1.644  -5.778  -5.681
  103   HD13  LEU  12          3HD1      LEU  12   0.962  -4.544  -6.740
  104   HD21  LEU  12          3HD2      LEU  12   1.258  -8.049  -8.922
  105   HD22  LEU  12          1HD2      LEU  12   0.891  -8.234  -7.206
  106   HD23  LEU  12          2HD2      LEU  12  -0.192  -7.306  -8.248
  107    H    LYS  13           H        LYS  13   3.981  -2.141  -9.003
  108    HA   LYS  13           HA       LYS  13   5.595  -3.461 -11.065
  109    HB2  LYS  13           1HB      LYS  13   5.707  -0.625 -10.036
  110    HB3  LYS  13           2HB      LYS  13   6.712  -1.286 -11.317
  111    HG2  LYS  13           1HG      LYS  13   4.655  -1.719 -12.627
  112    HG3  LYS  13           2HG      LYS  13   3.740  -0.869 -11.374
  113    HD2  LYS  13           1HD      LYS  13   5.312   1.060 -11.713
  114    HD3  LYS  13           2HD      LYS  13   5.890   0.220 -13.156
  115    HE2  LYS  13           1HE      LYS  13   3.010   0.882 -12.647
  116    HE3  LYS  13           2HE      LYS  13   4.115   1.917 -13.523
  117    HZ1  LYS  13           3HZ      LYS  13   2.964  -0.652 -14.317
  118    HZ2  LYS  13           1HZ      LYS  13   4.513  -0.262 -14.893
  119    HZ3  LYS  13           2HZ      LYS  13   3.196   0.750 -15.240
  120    H    GLN  14           H        GLN  14   7.862  -1.672 -10.164
  121    HA   GLN  14           HA       GLN  14   8.875  -3.451  -8.078
  122    HB2  GLN  14           1HB      GLN  14  10.064  -1.668 -10.129
  123    HB3  GLN  14           2HB      GLN  14  10.943  -1.835  -8.622
  124    HG2  GLN  14           1HG      GLN  14  11.675  -3.405 -10.380
  125    HG3  GLN  14           2HG      GLN  14  11.125  -4.201  -8.907
  126   HE21  GLN  14          1HE2      GLN  14   9.801  -5.830  -9.159
  127   HE22  GLN  14          2HE2      GLN  14   8.805  -6.147 -10.542
  128    HA   PRO  15           HA       PRO  15   7.504  -0.403  -5.098
  129    HB2  PRO  15           1HB      PRO  15   9.228  -2.062  -3.329
  130    HB3  PRO  15           2HB      PRO  15   7.547  -1.559  -3.118
  131    HG2  PRO  15           1HG      PRO  15   8.130  -4.060  -3.805
  132    HG3  PRO  15           2HG      PRO  15   6.732  -3.224  -4.512
  133    HD2  PRO  15           1HD      PRO  15   9.417  -3.781  -5.710
  134    HD3  PRO  15           2HD      PRO  15   7.811  -3.824  -6.468
  135    H    GLY  16           H        GLY  16   8.362   1.520  -4.685
  136    HA2  GLY  16           2HA      GLY  16  11.247   1.869  -4.960
  137    HA3  GLY  16           1HA      GLY  16  10.034   3.140  -5.011
  138    H    VAL  17           H        VAL  17  10.519   4.515  -3.428
  139    HA   VAL  17           HA       VAL  17  11.268   3.405  -0.813
  140    HB   VAL  17           HB       VAL  17  13.017   4.746  -1.872
  141   HG11  VAL  17          1HG1      VAL  17  12.522   7.317  -1.840
  142   HG12  VAL  17          2HG1      VAL  17  12.063   6.332  -3.231
  143   HG13  VAL  17          3HG1      VAL  17  10.849   6.787  -2.035
  144   HG21  VAL  17          3HG2      VAL  17  13.592   5.153   0.228
  145   HG22  VAL  17          1HG2      VAL  17  12.686   6.663   0.137
  146   HG23  VAL  17          2HG2      VAL  17  11.901   5.200   0.730
  147    H    GLN  18           H        GLN  18   9.159   5.783  -2.383
  148    HA   GLN  18           HA       GLN  18   8.219   6.997  -0.040
  149    HB2  GLN  18           1HB      GLN  18   7.112   6.794  -2.815
  150    HB3  GLN  18           2HB      GLN  18   6.152   7.516  -1.533
  151    HG2  GLN  18           1HG      GLN  18   8.078   9.063  -1.093
  152    HG3  GLN  18           2HG      GLN  18   8.824   8.434  -2.561
  153   HE21  GLN  18          1HE2      GLN  18   8.697  10.012  -4.001
  154   HE22  GLN  18          2HE2      GLN  18   7.264  10.902  -4.404
  155    H    THR  19           H        THR  19   6.950   6.370   1.494
  156    HA   THR  19           HA       THR  19   5.850   3.740   1.527
  157    HB   THR  19           HB       THR  19   5.305   5.943   3.525
  158    HG1  THR  19           HG1      THR  19   7.589   5.726   3.096
  159   HG21  THR  19          1HG2      THR  19   4.430   4.337   4.809
  160   HG22  THR  19          2HG2      THR  19   5.815   3.279   4.539
  161   HG23  THR  19          3HG2      THR  19   4.476   3.288   3.391
  162    H    GLY  20           H        GLY  20   3.825   3.069   1.117
  163    HA2  GLY  20           2HA      GLY  20   1.976   4.790  -0.208
  164    HA3  GLY  20           1HA      GLY  20   1.688   3.121   0.269
  165    H    LEU  21           H        LEU  21   0.375   5.977   0.566
  166    HA   LEU  21           HA       LEU  21  -0.120   5.875   3.445
  167    HB2  LEU  21           1HB      LEU  21  -0.630   8.007   1.384
  168    HB3  LEU  21           2HB      LEU  21  -1.165   8.114   3.049
  169    HG   LEU  21           HG       LEU  21   1.729   7.753   2.340
  170   HD11  LEU  21          1HD1      LEU  21   2.048  10.001   2.143
  171   HD12  LEU  21          2HD1      LEU  21   0.438   9.871   1.435
  172   HD13  LEU  21          3HD1      LEU  21   0.624  10.398   3.108
  173   HD21  LEU  21          3HD2      LEU  21   0.191   8.585   4.784
  174   HD22  LEU  21          1HD2      LEU  21   1.278   7.210   4.593
  175   HD23  LEU  21          2HD2      LEU  21   1.926   8.851   4.606
  176    H    LEU  22           H        LEU  22  -2.124   5.766   4.334
  177    HA   LEU  22           HA       LEU  22  -4.347   5.027   2.544
  178    HB2  LEU  22           1HB      LEU  22  -3.885   4.289   5.436
  179    HB3  LEU  22           2HB      LEU  22  -5.296   3.845   4.495
  180    HG   LEU  22           HG       LEU  22  -2.475   2.927   4.055
  181   HD11  LEU  22          1HD1      LEU  22  -3.452   0.708   4.539
  182   HD12  LEU  22          2HD1      LEU  22  -3.517   1.815   5.912
  183   HD13  LEU  22          3HD1      LEU  22  -4.968   1.504   4.956
  184   HD21  LEU  22          3HD2      LEU  22  -3.164   2.894   1.905
  185   HD22  LEU  22          1HD2      LEU  22  -3.897   1.377   2.428
  186   HD23  LEU  22          2HD2      LEU  22  -4.871   2.844   2.339
  187    H    CYS  23           H        CYS  23  -6.325   5.979   2.872
  188    HA   CYS  23           HA       CYS  23  -6.393   8.435   4.408
  189    HB2  CYS  23           1HB      CYS  23  -8.425   8.913   3.369
  190    HB3  CYS  23           2HB      CYS  23  -7.586   7.996   2.127
  191    H    GLU  24           H        GLU  24  -7.942   8.755   6.134
  192    HA   GLU  24           HA       GLU  24  -7.794   6.774   8.066
  193    HB2  GLU  24           1HB      GLU  24  -9.791   9.031   7.927
  194    HB3  GLU  24           2HB      GLU  24  -9.355   8.128   9.373
  195    HG2  GLU  24           1HG      GLU  24  -7.011   8.921   9.070
  196    HG3  GLU  24           2HG      GLU  24  -7.586   9.949   7.760
  197    H    LYS  25           H        LYS  25 -10.165   7.221   5.584
  198    HA   LYS  25           HA       LYS  25 -12.214   5.612   6.715
  199    HB2  LYS  25           1HB      LYS  25 -11.660   6.318   3.833
  200    HB3  LYS  25           2HB      LYS  25 -13.141   5.583   4.426
  201    HG2  LYS  25           1HG      LYS  25 -12.110   8.272   5.293
  202    HG3  LYS  25           2HG      LYS  25 -13.325   8.015   4.041
  203    HD2  LYS  25           1HD      LYS  25 -14.758   6.889   5.707
  204    HD3  LYS  25           2HD      LYS  25 -13.554   7.238   6.949
  205    HE2  LYS  25           1HE      LYS  25 -13.860   9.623   6.608
  206    HE3  LYS  25           2HE      LYS  25 -14.997   9.309   5.298
  207    HZ1  LYS  25           3HZ      LYS  25 -16.407   8.140   6.964
  208    HZ2  LYS  25           1HZ      LYS  25 -16.242   9.806   7.241
  209    HZ3  LYS  25           2HZ      LYS  25 -15.364   8.698   8.179
  210    H    CYS  26           H        CYS  26  -9.234   4.839   5.107
  211    HA   CYS  26           HA       CYS  26 -10.067   2.007   5.069
  212    HB2  CYS  26           1HB      CYS  26  -7.816   3.137   3.399
  213    HB3  CYS  26           2HB      CYS  26  -8.532   1.535   3.295
  214    H    ASP  27           H        ASP  27  -8.944   3.794   7.169
  215    HA   ASP  27           HA       ASP  27  -6.200   3.183   7.461
  216    HB2  ASP  27           1HB      ASP  27  -7.205   5.172   8.480
  217    HB3  ASP  27           2HB      ASP  27  -8.162   4.151   9.548
  218    H    GLY  28           H        GLY  28  -5.193   1.567   8.364
  219    HA2  GLY  28           2HA      GLY  28  -4.781  -0.253   9.737
  220    HA3  GLY  28           1HA      GLY  28  -6.417  -0.114  10.365
  221    H    LYS  29           H        LYS  29  -6.009  -0.232   6.949
  222    HA   LYS  29           HA       LYS  29  -6.877  -3.048   6.961
  223    HB2  LYS  29           1HB      LYS  29  -7.324  -1.024   4.760
  224    HB3  LYS  29           2HB      LYS  29  -7.961  -2.656   4.835
  225    HG2  LYS  29           1HG      LYS  29  -9.351  -2.046   6.736
  226    HG3  LYS  29           2HG      LYS  29  -8.694  -0.406   6.697
  227    HD2  LYS  29           1HD      LYS  29  -9.579  -0.115   4.431
  228    HD3  LYS  29           2HD      LYS  29 -10.245  -1.749   4.483
  229    HE2  LYS  29           1HE      LYS  29 -11.647  -1.098   6.390
  230    HE3  LYS  29           2HE      LYS  29 -10.996   0.538   6.302
  231    HZ1  LYS  29           3HZ      LYS  29 -13.127  -0.594   4.843
  232    HZ2  LYS  29           1HZ      LYS  29 -11.921  -0.108   3.757
  233    HZ3  LYS  29           2HZ      LYS  29 -12.583   1.008   4.846
  234    H    CYS  30           H        CYS  30  -5.587  -4.487   5.964
  235    HA   CYS  30           HA       CYS  30  -3.085  -3.655   4.818
  236    HB2  CYS  30           1HB      CYS  30  -3.169  -5.748   6.014
  237    HB3  CYS  30           2HB      CYS  30  -4.475  -6.333   4.992
  238    HA   PRO  31           HA       PRO  31  -4.944  -2.532   0.953
  239    HB2  PRO  31           1HB      PRO  31  -2.544  -2.572  -0.482
  240    HB3  PRO  31           2HB      PRO  31  -3.214  -1.189   0.389
  241    HG2  PRO  31           1HG      PRO  31  -1.134  -3.147   1.247
  242    HG3  PRO  31           2HG      PRO  31  -1.237  -1.406   1.563
  243    HD2  PRO  31           1HD      PRO  31  -1.845  -3.182   3.460
  244    HD3  PRO  31           2HD      PRO  31  -2.784  -1.685   3.280
  245    H    ILE  32           H        ILE  32  -2.596  -5.184   1.034
  246    HA   ILE  32           HA       ILE  32  -3.156  -6.208  -1.509
  247    HB   ILE  32           HB       ILE  32  -2.172  -7.731   0.906
  248   HG12  ILE  32          1HG1      ILE  32  -0.863  -5.645   0.083
  249   HG13  ILE  32          2HG1      ILE  32   0.019  -7.145   0.339
  250   HG21  ILE  32          1HG2      ILE  32  -1.985  -8.372  -2.034
  251   HG22  ILE  32          2HG2      ILE  32  -1.225  -9.288  -0.733
  252   HG23  ILE  32          3HG2      ILE  32  -2.983  -9.206  -0.843
  253   HD11  ILE  32          3HD1      ILE  32  -1.026  -6.684  -2.382
  254   HD12  ILE  32          1HD1      ILE  32   0.289  -5.640  -1.843
  255   HD13  ILE  32          2HD1      ILE  32   0.502  -7.393  -1.847
  256    H    CYS  33           H        CYS  33  -4.279  -7.458   1.642
  257    HA   CYS  33           HA       CYS  33  -6.076  -9.207   0.191
  258    HB2  CYS  33           1HB      CYS  33  -6.236 -10.470   2.288
  259    HB3  CYS  33           2HB      CYS  33  -4.569 -10.241   1.776
  260    H    ASP  34           H        ASP  34  -6.311  -6.383   2.146
  261    HA   ASP  34           HA       ASP  34  -8.085  -5.147   2.855
  262    HB2  ASP  34           1HB      ASP  34  -9.244  -5.457   0.788
  263    HB3  ASP  34           2HB      ASP  34  -9.651  -7.122   1.188
  264    H    SER  35           H        SER  35  -7.543  -5.734   4.957
  265    HA   SER  35           HA       SER  35  -9.570  -6.956   6.488
  266    HB2  SER  35           1HB      SER  35  -8.540  -9.016   5.487
  267    HB3  SER  35           2HB      SER  35  -7.023  -8.581   6.273
  268    HG   SER  35           HG       SER  35  -9.450  -8.879   7.717
  269    H    TYR  36           H        TYR  36  -9.290  -6.581   8.684
  270    HA   TYR  36           HA       TYR  36  -7.174  -4.711   9.377
  271    HB2  TYR  36           1HB      TYR  36  -9.568  -5.761  10.891
  272    HB3  TYR  36           2HB      TYR  36  -8.357  -4.726  11.632
  273    HD1  TYR  36           HD1      TYR  36 -10.273  -4.673   8.407
  274    HD2  TYR  36           HD2      TYR  36  -9.076  -2.576  11.909
  275    HE1  TYR  36           HE1      TYR  36 -11.513  -2.692   7.640
  276    HE2  TYR  36           HE2      TYR  36 -10.312  -0.593  11.153
  277    HH   TYR  36           HH       TYR  36 -11.327   0.376   9.367
  278    H    VAL  37           H        VAL  37  -6.383  -7.415   8.791
  279    HA   VAL  37           HA       VAL  37  -5.859  -8.760  11.273
  280    HB   VAL  37           HB       VAL  37  -6.242  -9.995   9.162
  281   HG11  VAL  37          1HG1      VAL  37  -4.644 -10.070   7.417
  282   HG12  VAL  37          2HG1      VAL  37  -5.003  -8.373   7.731
  283   HG13  VAL  37          3HG1      VAL  37  -3.504  -9.083   8.333
  284   HG21  VAL  37          3HG2      VAL  37  -3.523 -10.490  10.373
  285   HG22  VAL  37          1HG2      VAL  37  -5.062 -11.082  11.003
  286   HG23  VAL  37          2HG2      VAL  37  -4.473 -11.649   9.441
  287    H    ARG  38           H        ARG  38  -3.685  -9.267  12.023
  288    HA   ARG  38           HA       ARG  38  -2.215  -7.088  12.687
  289    HB2  ARG  38           1HB      ARG  38  -1.914  -8.982  13.995
  290    HB3  ARG  38           2HB      ARG  38  -1.647 -10.026  12.606
  291    HG2  ARG  38           1HG      ARG  38   0.521  -9.030  12.255
  292    HG3  ARG  38           2HG      ARG  38   0.260  -7.946  13.618
  293    HD2  ARG  38           1HD      ARG  38   1.655  -9.800  14.308
  294    HD3  ARG  38           2HD      ARG  38   0.090  -9.895  15.110
  295    HE   ARG  38           HE       ARG  38  -0.097 -11.456  12.829
  296   HH11  ARG  38          2HH1      ARG  38   1.823 -11.400  15.754
  297   HH12  ARG  38          1HH1      ARG  38   2.038 -13.124  15.801
  298   HH21  ARG  38          2HH2      ARG  38   0.158 -13.728  12.893
  299   HH22  ARG  38          1HH2      ARG  38   1.073 -14.457  14.186
  300    HA   PRO  39           HA       PRO  39   0.092  -6.086   8.984
  301    HB2  PRO  39           1HB      PRO  39   1.542  -4.232  10.722
  302    HB3  PRO  39           2HB      PRO  39   0.484  -3.881   9.353
  303    HG2  PRO  39           1HG      PRO  39  -0.227  -3.323  11.892
  304    HG3  PRO  39           2HG      PRO  39  -1.408  -3.816  10.664
  305    HD2  PRO  39           1HD      PRO  39  -0.130  -5.455  12.828
  306    HD3  PRO  39           2HD      PRO  39  -1.828  -5.416  12.303
  307    H    LYS  40           H        LYS  40   2.686  -5.287   8.924
  308    HA   LYS  40           HA       LYS  40   4.395  -6.826  10.609
  309    HB2  LYS  40           1HB      LYS  40   3.344  -8.547   9.043
  310    HB3  LYS  40           2HB      LYS  40   4.250  -7.772   7.750
  311    HG2  LYS  40           1HG      LYS  40   5.462  -9.687   8.505
  312    HG3  LYS  40           2HG      LYS  40   6.337  -8.236   9.000
  313    HD2  LYS  40           1HD      LYS  40   5.407  -8.434  11.249
  314    HD3  LYS  40           2HD      LYS  40   4.494  -9.861  10.752
  315    HE2  LYS  40           1HE      LYS  40   6.487 -10.530  11.947
  316    HE3  LYS  40           2HE      LYS  40   6.604 -11.016  10.255
  317    HZ1  LYS  40           3HZ      LYS  40   8.133  -9.320   9.805
  318    HZ2  LYS  40           1HZ      LYS  40   8.641  -9.973  11.287
  319    HZ3  LYS  40           2HZ      LYS  40   7.802  -8.497  11.255
  320    H    ARG  41           H        ARG  41   4.118  -5.346   7.372
  321    HA   ARG  41           HA       ARG  41   6.610  -3.887   7.914
  322    HB2  ARG  41           1HB      ARG  41   7.094  -6.011   6.644
  323    HB3  ARG  41           2HB      ARG  41   6.119  -5.374   5.327
  324    HG2  ARG  41           1HG      ARG  41   8.335  -4.907   4.737
  325    HG3  ARG  41           2HG      ARG  41   7.685  -3.375   5.330
  326    HD2  ARG  41           1HD      ARG  41   8.692  -3.885   7.551
  327    HD3  ARG  41           2HD      ARG  41   9.449  -5.305   6.833
  328    HE   ARG  41           HE       ARG  41  10.371  -2.637   6.681
  329   HH11  ARG  41          2HH1      ARG  41  10.148  -5.568   4.757
  330   HH12  ARG  41          1HH1      ARG  41  11.472  -5.135   3.715
  331   HH21  ARG  41          2HH2      ARG  41  12.125  -2.079   5.326
  332   HH22  ARG  41          1HH2      ARG  41  12.606  -3.165   4.055
  333    H    LYS  42           H        LYS  42   6.727  -1.879   7.023
  334    HA   LYS  42           HA       LYS  42   4.350  -0.584   6.249
  335    HB2  LYS  42           1HB      LYS  42   7.137   0.399   5.644
  336    HB3  LYS  42           2HB      LYS  42   5.686   1.362   5.868
  337    HG2  LYS  42           1HG      LYS  42   5.626   0.575   8.238
  338    HG3  LYS  42           2HG      LYS  42   7.202  -0.168   7.964
  339    HD2  LYS  42           1HD      LYS  42   7.673   1.926   8.926
  340    HD3  LYS  42           2HD      LYS  42   7.974   2.135   7.199
  341    HE2  LYS  42           1HE      LYS  42   5.635   3.030   7.005
  342    HE3  LYS  42           2HE      LYS  42   5.560   3.020   8.766
  343    HZ1  LYS  42           3HZ      LYS  42   7.413   4.553   8.837
  344    HZ2  LYS  42           1HZ      LYS  42   6.172   5.191   7.869
  345    HZ3  LYS  42           2HZ      LYS  42   7.551   4.520   7.145
  346    H    VAL  43           H        VAL  43   3.462  -0.093   4.398
  347    HA   VAL  43           HA       VAL  43   4.235  -1.499   2.024
  348    HB   VAL  43           HB       VAL  43   2.017   0.394   2.750
  349   HG11  VAL  43          1HG1      VAL  43   1.153  -0.156   0.397
  350   HG12  VAL  43          2HG1      VAL  43   2.367   1.108   0.580
  351   HG13  VAL  43          3HG1      VAL  43   2.843  -0.495   0.022
  352   HG21  VAL  43          3HG2      VAL  43   2.371  -2.481   2.484
  353   HG22  VAL  43          1HG2      VAL  43   1.127  -1.565   3.336
  354   HG23  VAL  43          2HG2      VAL  43   0.966  -1.874   1.606
  355    H    ARG  44           H        ARG  44   5.370  -0.730   0.320
  356    HA   ARG  44           HA       ARG  44   5.817   2.173   0.175
  357    HB2  ARG  44           1HB      ARG  44   7.779  -0.060  -0.207
  358    HB3  ARG  44           2HB      ARG  44   7.995   1.454  -1.075
  359    HG2  ARG  44           1HG      ARG  44   8.076   2.671   1.019
  360    HG3  ARG  44           2HG      ARG  44   7.790   1.178   1.916
  361    HD2  ARG  44           1HD      ARG  44   9.881   0.287   1.282
  362    HD3  ARG  44           2HD      ARG  44  10.120   1.528   0.051
  363    HE   ARG  44           HE       ARG  44   9.904   2.859   2.465
  364   HH11  ARG  44          2HH1      ARG  44  12.035   0.425   1.116
  365   HH12  ARG  44          1HH1      ARG  44  13.442   1.033   1.943
  366   HH21  ARG  44          2HH2      ARG  44  11.726   3.640   3.548
  367   HH22  ARG  44          1HH2      ARG  44  13.264   2.852   3.340
  368    H    VAL  45           H        VAL  45   5.216   3.085  -1.669
  369    HA   VAL  45           HA       VAL  45   4.011   1.469  -3.724
  370    HB   VAL  45           HB       VAL  45   3.534   3.584  -4.874
  371   HG11  VAL  45          1HG1      VAL  45   2.550   2.760  -2.382
  372   HG12  VAL  45          2HG1      VAL  45   2.683   4.517  -2.305
  373   HG13  VAL  45          3HG1      VAL  45   1.739   3.758  -3.589
  374   HG21  VAL  45          3HG2      VAL  45   5.474   4.889  -4.408
  375   HG22  VAL  45          1HG2      VAL  45   4.096   5.730  -3.702
  376   HG23  VAL  45          2HG2      VAL  45   5.188   4.806  -2.670
  377    H    CYS  46           H        CYS  46   4.676   1.383  -5.907
  378    HA   CYS  46           HA       CYS  46   7.399   0.910  -6.273
  379    HB2  CYS  46           1HB      CYS  46   6.909   0.445  -8.520
  380    HB3  CYS  46           2HB      CYS  46   5.416   0.063  -7.674
  381    H    GLU  47           H        GLU  47   8.947   2.005  -7.572
  382    HA   GLU  47           HA       GLU  47   9.295   4.686  -6.960
  383    HB2  GLU  47           1HB      GLU  47  11.116   3.183  -7.627
  384    HB3  GLU  47           2HB      GLU  47  10.479   3.125  -9.264
  385    HG2  GLU  47           1HG      GLU  47  10.968   5.455  -9.591
  386    HG3  GLU  47           2HG      GLU  47  11.463   5.623  -7.906
  387    H    ASN  48           H        ASN  48   7.812   3.211  -9.800
  388    HA   ASN  48           HA       ASN  48   7.628   5.459 -11.437
  389    HB2  ASN  48           1HB      ASN  48   5.716   3.128 -11.202
  390    HB3  ASN  48           2HB      ASN  48   5.717   4.298 -12.518
  391   HD21  ASN  48          1HD2      ASN  48   6.742   3.683 -14.269
  392   HD22  ASN  48          2HD2      ASN  48   8.051   2.546 -14.338
  393    H    CYS  49           H        CYS  49   5.491   4.366  -8.843
  394    HA   CYS  49           HA       CYS  49   3.528   6.399  -9.262
  395    HB2  CYS  49           1HB      CYS  49   4.083   4.469  -7.027
  396    HB3  CYS  49           2HB      CYS  49   2.891   5.747  -6.834
  397    H    SER  50           H        SER  50   6.560   6.283  -7.537
  398    HA   SER  50           HA       SER  50   5.842   8.394  -5.759
  399    HB2  SER  50           1HB      SER  50   8.128   8.296  -4.964
  400    HB3  SER  50           2HB      SER  50   7.477   6.670  -5.118
  401    HG   SER  50           HG       SER  50   8.557   6.909  -7.362
  402    H    PHE  51           H        PHE  51   7.666   8.180  -8.779
  403    HA   PHE  51           HA       PHE  51   8.109  11.049  -8.681
  404    HB2  PHE  51           1HB      PHE  51   9.419  10.756 -10.731
  405    HB3  PHE  51           2HB      PHE  51  10.002   9.757  -9.424
  406    HD1  PHE  51           HD2      PHE  51   7.653   9.494 -12.333
  407    HD2  PHE  51           HD1      PHE  51  10.670   7.650  -9.968
  408    HE1  PHE  51           HE2      PHE  51   7.657   7.561 -13.852
  409    HE2  PHE  51           HE1      PHE  51  10.685   5.717 -11.489
  410    HZ   PHE  51           HZ       PHE  51   9.173   5.668 -13.432
  411    H    GLY  52           H        GLY  52   6.078   8.730 -10.318
  412    HA2  GLY  52           2HA      GLY  52   5.097  10.768 -12.161
  413    HA3  GLY  52           1HA      GLY  52   4.686   9.062 -12.182
  414    H    LYS  53           H        LYS  53   4.538  11.007  -9.288
  415    HA   LYS  53           HA       LYS  53   2.853  11.640  -7.913
  416    HB2  LYS  53           1HB      LYS  53   1.389  11.894 -10.542
  417    HB3  LYS  53           2HB      LYS  53   0.716  12.420  -9.008
  418    HG2  LYS  53           1HG      LYS  53   1.573  14.350  -9.999
  419    HG3  LYS  53           2HG      LYS  53   2.764  13.895  -8.780
  420    HD2  LYS  53           1HD      LYS  53   4.106  12.806 -10.540
  421    HD3  LYS  53           2HD      LYS  53   2.934  13.347 -11.741
  422    HE2  LYS  53           1HE      LYS  53   4.818  14.841 -11.704
  423    HE3  LYS  53           2HE      LYS  53   3.381  15.665 -11.105
  424    HZ1  LYS  53           3HZ      LYS  53   5.684  15.800  -9.853
  425    HZ2  LYS  53           1HZ      LYS  53   5.114  14.371  -9.138
  426    HZ3  LYS  53           2HZ      LYS  53   4.210  15.800  -9.011
  427    H    GLN  54           H        GLN  54   0.305  11.177  -7.529
  428    HA   GLN  54           HA       GLN  54  -1.229   9.656  -6.872
  429    HB2  GLN  54           1HB      GLN  54  -0.209   8.447  -9.390
  430    HB3  GLN  54           2HB      GLN  54  -1.206   7.446  -8.342
  431    HG2  GLN  54           1HG      GLN  54  -2.832   8.345  -9.595
  432    HG3  GLN  54           2HG      GLN  54  -2.724   9.583  -8.351
  433   HE21  GLN  54          1HE2      GLN  54   0.019   9.849 -10.206
  434   HE22  GLN  54          2HE2      GLN  54  -0.529  11.039 -11.335
  435    H    ALA  55           H        ALA  55   0.682   9.705  -5.213
  436    HA   ALA  55           HA       ALA  55   1.194   6.899  -4.531
  437    HB1  ALA  55           3HB      ALA  55   3.426   7.114  -4.492
  438    HB2  ALA  55           1HB      ALA  55   3.129   8.480  -5.569
  439    HB3  ALA  55           2HB      ALA  55   3.358   8.753  -3.841
  440    H    LYS  56           H        LYS  56   0.741  10.219  -3.539
  441    HA   LYS  56           HA       LYS  56   0.874   9.635  -0.714
  442    HB2  LYS  56           1HB      LYS  56   0.200  12.043  -2.342
  443    HB3  LYS  56           2HB      LYS  56  -0.321  11.978  -0.675
  444    HG2  LYS  56           1HG      LYS  56   1.814  13.172  -0.965
  445    HG3  LYS  56           2HG      LYS  56   1.928  11.787   0.116
  446    HD2  LYS  56           1HD      LYS  56   3.841  11.581  -1.156
  447    HD3  LYS  56           2HD      LYS  56   2.715  10.518  -2.001
  448    HE2  LYS  56           1HE      LYS  56   2.282  12.230  -3.654
  449    HE3  LYS  56           2HE      LYS  56   3.278  13.383  -2.764
  450    HZ1  LYS  56           3HZ      LYS  56   5.011  12.668  -3.919
  451    HZ2  LYS  56           1HZ      LYS  56   4.079  11.482  -4.691
  452    HZ3  LYS  56           2HZ      LYS  56   4.848  11.137  -3.219
  453    H    ASN  57           H        ASN  57  -1.598  10.023  -3.196
  454    HA   ASN  57           HA       ASN  57  -3.794  10.127  -1.450
  455    HB2  ASN  57           1HB      ASN  57  -5.209   9.819  -3.304
  456    HB3  ASN  57           2HB      ASN  57  -3.813  10.659  -3.957
  457   HD21  ASN  57          1HD2      ASN  57  -3.165   9.934  -5.831
  458   HD22  ASN  57          2HD2      ASN  57  -3.325   8.309  -6.413
  459    H    CYS  58           H        CYS  58  -5.110   8.632  -0.642
  460    HA   CYS  58           HA       CYS  58  -4.098   6.405   0.474
  461    HB2  CYS  58           1HB      CYS  58  -6.211   7.341   1.174
  462    HB3  CYS  58           2HB      CYS  58  -6.960   6.897  -0.353
  463    H    ILE  59           H        ILE  59  -3.129   4.778  -0.458
  464    HA   ILE  59           HA       ILE  59  -3.388   4.047  -3.105
  465    HB   ILE  59           HB       ILE  59  -2.120   1.975  -2.462
  466   HG12  ILE  59          1HG1      ILE  59  -2.488   3.184   0.287
  467   HG13  ILE  59          2HG1      ILE  59  -2.950   1.570  -0.238
  468   HG21  ILE  59          1HG2      ILE  59  -0.507   3.438  -2.953
  469   HG22  ILE  59          2HG2      ILE  59  -1.385   4.764  -2.189
  470   HG23  ILE  59          3HG2      ILE  59  -0.354   3.716  -1.216
  471   HD11  ILE  59          3HD1      ILE  59  -0.594   2.341   1.049
  472   HD12  ILE  59          1HD1      ILE  59  -0.972   0.763   0.336
  473   HD13  ILE  59          2HD1      ILE  59  -0.136   1.981  -0.624
  474    H    ILE  60           H        ILE  60  -5.270   2.981  -0.399
  475    HA   ILE  60           HA       ILE  60  -6.247   0.605  -1.643
  476    HB   ILE  60           HB       ILE  60  -7.069   2.092   0.836
  477   HG12  ILE  60          1HG1      ILE  60  -5.798  -0.609   0.328
  478   HG13  ILE  60          2HG1      ILE  60  -4.986   0.828   0.941
  479   HG21  ILE  60          1HG2      ILE  60  -8.216  -0.577   0.131
  480   HG22  ILE  60          2HG2      ILE  60  -8.779   0.610   1.307
  481   HG23  ILE  60          3HG2      ILE  60  -8.999   0.906  -0.419
  482   HD11  ILE  60          3HD1      ILE  60  -5.646  -0.994   2.601
  483   HD12  ILE  60          1HD1      ILE  60  -6.030   0.678   3.012
  484   HD13  ILE  60          2HD1      ILE  60  -7.293  -0.393   2.404
  485    H    CYS  61           H        CYS  61  -7.643   3.897  -1.259
  486    HA   CYS  61           HA       CYS  61  -9.779   2.970  -3.066
  487    HB2  CYS  61           1HB      CYS  61 -11.311   4.561  -2.085
  488    HB3  CYS  61           2HB      CYS  61 -10.637   3.531  -0.825
  489    H    ASN  62           H        ASN  62  -7.064   4.608  -3.202
  490    HA   ASN  62           HA       ASN  62  -6.194   6.380  -4.363
  491    HB2  ASN  62           1HB      ASN  62  -6.761   6.244  -6.795
  492    HB3  ASN  62           2HB      ASN  62  -6.248   4.730  -6.066
  493   HD21  ASN  62          1HD2      ASN  62  -8.743   6.398  -7.722
  494   HD22  ASN  62          2HD2      ASN  62  -9.863   5.085  -7.817
  495    H    LEU  63           H        LEU  63  -8.208   7.508  -2.833
  496    HA   LEU  63           HA       LEU  63  -9.179   9.595  -4.648
  497    HB2  LEU  63           1HB      LEU  63 -10.725   7.446  -3.747
  498    HB3  LEU  63           2HB      LEU  63 -11.236   8.811  -2.776
  499    HG   LEU  63           HG       LEU  63 -12.709   8.751  -4.600
  500   HD11  LEU  63          1HD1      LEU  63 -12.016  10.988  -4.173
  501   HD12  LEU  63          2HD1      LEU  63 -10.562  10.778  -5.151
  502   HD13  LEU  63          3HD1      LEU  63 -12.150  10.780  -5.920
  503   HD21  LEU  63          3HD2      LEU  63 -12.202   7.716  -6.486
  504   HD22  LEU  63          1HD2      LEU  63 -11.033   8.977  -6.885
  505   HD23  LEU  63          2HD2      LEU  63 -10.529   7.569  -5.945
  506    H    ASN  64           H        ASN  64  -9.521   8.560  -1.249
  507    HA   ASN  64           HA       ASN  64  -9.906  11.268  -0.462
  508    HB2  ASN  64           1HB      ASN  64  -9.805   8.696   1.064
  509    HB3  ASN  64           2HB      ASN  64 -10.175  10.237   1.821
  510   HD21  ASN  64          1HD2      ASN  64 -11.456  10.690  -1.056
  511   HD22  ASN  64          2HD2      ASN  64 -13.046  10.057  -0.822
  512    H    VAL  65           H        VAL  65  -7.222  10.313  -1.266
  513    HA   VAL  65           HA       VAL  65  -5.035  10.733  -0.845
  514    HB   VAL  65           HB       VAL  65  -6.594  12.870   0.464
  515   HG11  VAL  65          1HG1      VAL  65  -4.760  14.045   1.334
  516   HG12  VAL  65          2HG1      VAL  65  -4.462  12.385   1.852
  517   HG13  VAL  65          3HG1      VAL  65  -3.594  13.043   0.468
  518   HG21  VAL  65          3HG2      VAL  65  -4.487  12.949  -1.677
  519   HG22  VAL  65          1HG2      VAL  65  -6.212  12.743  -1.975
  520   HG23  VAL  65          2HG2      VAL  65  -5.615  14.234  -1.248
  521    H    GLY  66           H        GLY  66  -3.350  10.099   0.435
  522    HA2  GLY  66           2HA      GLY  66  -4.145   8.495   2.683
  523    HA3  GLY  66           1HA      GLY  66  -2.544   8.594   1.983
  524    H    VAL  67           H        VAL  67  -2.982   8.418   4.676
  525    HA   VAL  67           HA       VAL  67  -1.728  10.872   5.593
  526    HB   VAL  67           HB       VAL  67  -4.057  11.336   5.987
  527   HG11  VAL  67          1HG1      VAL  67  -4.705   8.887   6.033
  528   HG12  VAL  67          2HG1      VAL  67  -4.303   8.947   7.751
  529   HG13  VAL  67          3HG1      VAL  67  -5.577   9.984   7.109
  530   HG21  VAL  67          3HG2      VAL  67  -2.336  11.960   7.704
  531   HG22  VAL  67          1HG2      VAL  67  -3.996  11.876   8.295
  532   HG23  VAL  67          2HG2      VAL  67  -2.873  10.558   8.630
  533    H    ASN  68           H        ASN  68  -2.949   7.663   6.420
  534    HA   ASN  68           HA       ASN  68  -0.646   7.326   8.234
  535    HB2  ASN  68           1HB      ASN  68  -3.269   5.831   8.087
  536    HB3  ASN  68           2HB      ASN  68  -1.915   5.311   9.080
  537   HD21  ASN  68          1HD2      ASN  68  -4.764   6.718   9.285
  538   HD22  ASN  68          2HD2      ASN  68  -4.515   7.801  10.613
  539    H    ASP  69           H        ASP  69   0.918   5.935   7.725
  540    HA   ASP  69           HA       ASP  69   1.188   4.880   5.125
  541    HB2  ASP  69           1HB      ASP  69   2.597   4.057   7.689
  542    HB3  ASP  69           2HB      ASP  69   3.109   3.607   6.070
  543    H    ALA  70           H        ALA  70   0.632   3.036   4.208
  544    HA   ALA  70           HA       ALA  70  -1.076   1.157   5.563
  545    HB1  ALA  70           3HB      ALA  70  -0.150   0.058   3.133
  546    HB2  ALA  70           1HB      ALA  70  -1.724   0.775   3.476
  547    HB3  ALA  70           2HB      ALA  70  -0.413   1.780   2.861
  548    H    PHE  71           H        PHE  71  -0.610  -1.039   5.959
  549    HA   PHE  71           HA       PHE  71   2.240  -1.742   5.895
  550    HB2  PHE  71           1HB      PHE  71   0.306  -2.031   8.185
  551    HB3  PHE  71           2HB      PHE  71   1.698  -3.094   8.042
  552    HD1  PHE  71           HD1      PHE  71   1.050   0.582   7.776
  553    HD2  PHE  71           HD2      PHE  71   3.460  -2.539   9.367
  554    HE1  PHE  71           HE1      PHE  71   2.449   2.250   8.915
  555    HE2  PHE  71           HE2      PHE  71   4.860  -0.877  10.517
  556    HZ   PHE  71           HZ       PHE  71   4.359   1.524  10.287
  557    H    TYR  72           H        TYR  72   2.674  -3.685   5.053
  558    HA   TYR  72           HA       TYR  72   0.585  -5.378   4.018
  559    HB2  TYR  72           1HB      TYR  72   3.547  -5.913   4.395
  560    HB3  TYR  72           2HB      TYR  72   2.429  -7.000   3.585
  561    HD1  TYR  72           HD2      TYR  72   1.436  -6.332   1.398
  562    HD2  TYR  72           HD1      TYR  72   4.504  -4.059   3.273
  563    HE1  TYR  72           HE2      TYR  72   1.937  -5.248  -0.750
  564    HE2  TYR  72           HE1      TYR  72   5.013  -2.974   1.129
  565    HH   TYR  72           HH       TYR  72   3.652  -4.069  -1.858
  566    H    CYS  73           H        CYS  73  -0.457  -6.941   5.137
  567    HA   CYS  73           HA       CYS  73   0.129  -7.294   7.900
  568    HB2  CYS  73           1HB      CYS  73  -1.805  -8.598   8.045
  569    HB3  CYS  73           2HB      CYS  73  -2.178  -7.434   6.780
  570    H    TRP  74           H        TRP  74   0.527  -9.349   8.929
  571    HA   TRP  74           HA       TRP  74   2.875 -10.548   8.152
  572    HB2  TRP  74           1HB      TRP  74   1.728 -10.643  10.388
  573    HB3  TRP  74           2HB      TRP  74   0.717 -11.916   9.737
  574    HD1  TRP  74           HD1      TRP  74   1.764 -13.395  11.755
  575    HE1  TRP  74           HE1      TRP  74   3.895 -14.833  11.847
  576    HE3  TRP  74           HE3      TRP  74   4.255 -11.407   7.758
  577    HZ2  TRP  74           HZ2      TRP  74   6.301 -15.092  10.414
  578    HZ3  TRP  74           HZ3      TRP  74   6.474 -12.307   7.191
  579    HH2  TRP  74           HH2      TRP  74   7.473 -14.116   8.490
  580    H    GLU  75           H        GLU  75  -0.404 -11.726   7.631
  581    HA   GLU  75           HA       GLU  75   0.269 -14.153   6.469
  582    HB2  GLU  75           1HB      GLU  75  -2.182 -12.470   5.926
  583    HB3  GLU  75           2HB      GLU  75  -2.014 -14.179   5.553
  584    HG2  GLU  75           1HG      GLU  75  -1.851 -13.018   8.324
  585    HG3  GLU  75           2HG      GLU  75  -3.299 -13.727   7.617
  586    H    CYS  76           H        CYS  76  -0.298 -11.020   4.864
  587    HA   CYS  76           HA       CYS  76   0.139 -11.978   2.246
  588    HB2  CYS  76           1HB      CYS  76   0.287  -9.237   3.481
  589    HB3  CYS  76           2HB      CYS  76   0.669  -9.511   1.786
  590    H    CYS  77           H        CYS  77   2.293 -10.565   4.682
  591    HA   CYS  77           HA       CYS  77   4.622 -10.521   3.066
  592    HB2  CYS  77           1HB      CYS  77   4.450 -10.797   6.076
  593    HB3  CYS  77           2HB      CYS  77   5.851 -10.262   5.155
  594    HG   CYS  77           HG       CYS  77   2.952  -8.582   5.756
  595    H    ARG  78           H        ARG  78   3.127 -12.948   5.066
  596    HA   ARG  78           HA       ARG  78   5.164 -14.813   5.317
  597    HB2  ARG  78           1HB      ARG  78   2.479 -14.607   5.975
  598    HB3  ARG  78           2HB      ARG  78   2.525 -15.985   4.888
  599    HG2  ARG  78           1HG      ARG  78   3.984 -17.177   6.299
  600    HG3  ARG  78           2HG      ARG  78   4.338 -15.741   7.267
  601    HD2  ARG  78           1HD      ARG  78   2.035 -15.673   8.040
  602    HD3  ARG  78           2HD      ARG  78   1.640 -17.066   7.036
  603    HE   ARG  78           HE       ARG  78   3.700 -17.884   8.670
  604   HH11  ARG  78          2HH1      ARG  78   0.472 -16.584   9.110
  605   HH12  ARG  78          1HH1      ARG  78   0.162 -17.510  10.556
  606   HH21  ARG  78          2HH2      ARG  78   3.311 -19.077  10.582
  607   HH22  ARG  78          1HH2      ARG  78   1.788 -18.909  11.410
  608    H    LEU  79           H        LEU  79   2.638 -14.594   2.823
  609    HA   LEU  79           HA       LEU  79   3.750 -16.756   1.299
  610    HB2  LEU  79           1HB      LEU  79   1.544 -14.777   0.781
  611    HB3  LEU  79           2HB      LEU  79   2.085 -15.889  -0.459
  612    HG   LEU  79           HG       LEU  79   0.135 -16.819   0.551
  613   HD11  LEU  79          1HD1      LEU  79   2.226 -18.271   0.127
  614   HD12  LEU  79          2HD1      LEU  79   2.308 -18.369   1.887
  615   HD13  LEU  79          3HD1      LEU  79   0.875 -18.948   1.037
  616   HD21  LEU  79          3HD2      LEU  79   0.267 -15.522   2.668
  617   HD22  LEU  79          1HD2      LEU  79  -0.146 -17.222   2.891
  618   HD23  LEU  79          2HD2      LEU  79   1.490 -16.660   3.235
  619    H    GLY  80           H        GLY  80   3.622 -13.227   0.940
  620    HA2  GLY  80           2HA      GLY  80   5.917 -12.381   0.266
  621    HA3  GLY  80           1HA      GLY  80   5.734 -13.451  -1.115
  622    H    LYS  81           H        LYS  81   3.167 -11.521   0.290
  623    HA   LYS  81           HA       LYS  81   2.541 -10.336  -2.242
  624    HB2  LYS  81           1HB      LYS  81   1.439  -9.696   0.499
  625    HB3  LYS  81           2HB      LYS  81   0.697  -9.312  -1.049
  626    HG2  LYS  81           1HG      LYS  81   1.290 -12.158  -0.417
  627    HG3  LYS  81           2HG      LYS  81  -0.088 -11.379   0.360
  628    HD2  LYS  81           1HD      LYS  81  -1.151 -10.972  -1.670
  629    HD3  LYS  81           2HD      LYS  81   0.321 -11.240  -2.605
  630    HE2  LYS  81           1HE      LYS  81  -1.161 -13.122  -2.888
  631    HE3  LYS  81           2HE      LYS  81   0.250 -13.625  -1.960
  632    HZ1  LYS  81           3HZ      LYS  81  -1.046 -13.495   0.059
  633    HZ2  LYS  81           1HZ      LYS  81  -1.828 -14.504  -1.057
  634    HZ3  LYS  81           2HZ      LYS  81  -2.396 -12.926  -0.795
  635    H    ASP  82           H        ASP  82   4.429  -9.507   0.500
  636    HA   ASP  82           HA       ASP  82   4.416  -6.682   0.241
  637    HB2  ASP  82           1HB      ASP  82   6.380  -6.745   1.718
  638    HB3  ASP  82           2HB      ASP  82   5.099  -7.789   2.320
  639    H    LYS  83           H        LYS  83   6.513  -9.232  -1.010
  640    HA   LYS  83           HA       LYS  83   8.178  -7.320  -2.418
  641    HB2  LYS  83           1HB      LYS  83   9.368  -9.345  -3.244
  642    HB3  LYS  83           2HB      LYS  83   9.293  -9.247  -1.492
  643    HG2  LYS  83           1HG      LYS  83   7.458 -10.859  -1.480
  644    HG3  LYS  83           2HG      LYS  83   7.537 -10.957  -3.240
  645    HD2  LYS  83           1HD      LYS  83   9.804 -11.822  -3.110
  646    HD3  LYS  83           2HD      LYS  83   9.783 -11.663  -1.353
  647    HE2  LYS  83           1HE      LYS  83   9.369 -13.957  -1.929
  648    HE3  LYS  83           2HE      LYS  83   7.890 -13.255  -1.276
  649    HZ1  LYS  83           3HZ      LYS  83   8.390 -14.363  -3.868
  650    HZ2  LYS  83           1HZ      LYS  83   7.685 -12.822  -3.959
  651    HZ3  LYS  83           2HZ      LYS  83   6.913 -14.057  -3.094
  652    H    ASP  84           H        ASP  84   5.312  -9.012  -2.940
  653    HA   ASP  84           HA       ASP  84   5.399  -9.716  -5.607
  654    HB2  ASP  84           1HB      ASP  84   3.589 -10.267  -3.953
  655    HB3  ASP  84           2HB      ASP  84   2.958  -8.641  -4.185
  656    H    GLY  85           H        GLY  85   4.245  -6.603  -4.242
  657    HA2  GLY  85           2HA      GLY  85   5.636  -5.027  -5.924
  658    HA3  GLY  85           1HA      GLY  85   4.214  -5.405  -6.875
  659    H    CYS  86           H        CYS  86   3.963  -3.179  -6.925
  660    HA   CYS  86           HA       CYS  86   3.434  -1.525  -4.697
  661    HB2  CYS  86           1HB      CYS  86   4.327  -0.816  -6.889
  662    HB3  CYS  86           2HB      CYS  86   2.803  -1.237  -7.642
  663    HA   PRO  87           HA       PRO  87  -0.836  -2.922  -4.265
  664    HB2  PRO  87           1HB      PRO  87  -1.227  -2.016  -1.786
  665    HB3  PRO  87           2HB      PRO  87  -0.221  -3.432  -2.108
  666    HG2  PRO  87           1HG      PRO  87   0.596  -0.623  -1.518
  667    HG3  PRO  87           2HG      PRO  87   1.315  -2.142  -0.957
  668    HD2  PRO  87           1HD      PRO  87   2.282  -0.612  -3.044
  669    HD3  PRO  87           2HD      PRO  87   2.617  -2.338  -2.817
  670    H    ARG  88           H        ARG  88  -0.389  -0.614  -5.811
  671    HA   ARG  88           HA       ARG  88  -2.178   1.432  -4.746
  672    HB2  ARG  88           1HB      ARG  88  -0.386   1.210  -7.134
  673    HB3  ARG  88           2HB      ARG  88  -1.730   2.342  -7.184
  674    HG2  ARG  88           1HG      ARG  88   0.091   2.419  -4.840
  675    HG3  ARG  88           2HG      ARG  88   0.663   3.068  -6.378
  676    HD2  ARG  88           1HD      ARG  88  -1.846   3.893  -4.918
  677    HD3  ARG  88           2HD      ARG  88  -0.348   4.818  -5.009
  678    HE   ARG  88           HE       ARG  88  -0.762   5.189  -7.331
  679   HH11  ARG  88          2HH1      ARG  88  -3.459   3.866  -5.535
  680   HH12  ARG  88          1HH1      ARG  88  -4.608   4.124  -6.809
  681   HH21  ARG  88          2HH2      ARG  88  -2.282   5.551  -9.018
  682   HH22  ARG  88          1HH2      ARG  88  -3.951   5.116  -8.767
  683    H    ILE  89           H        ILE  89  -4.289   1.542  -5.263
  684    HA   ILE  89           HA       ILE  89  -5.391  -0.463  -7.072
  685    HB   ILE  89           HB       ILE  89  -6.660   1.445  -5.108
  686   HG12  ILE  89          1HG1      ILE  89  -5.569  -0.554  -4.174
  687   HG13  ILE  89          2HG1      ILE  89  -7.313  -0.592  -3.938
  688   HG21  ILE  89          1HG2      ILE  89  -8.462   1.417  -6.434
  689   HG22  ILE  89          2HG2      ILE  89  -7.885   0.033  -7.362
  690   HG23  ILE  89          3HG2      ILE  89  -8.688  -0.218  -5.813
  691   HD11  ILE  89          3HD1      ILE  89  -5.801  -2.087  -6.064
  692   HD12  ILE  89          1HD1      ILE  89  -6.432  -2.769  -4.565
  693   HD13  ILE  89          2HD1      ILE  89  -7.541  -2.147  -5.788
  694    H    LEU  90           H        LEU  90  -5.546   0.067  -9.185
  695    HA   LEU  90           HA       LEU  90  -6.545   2.758  -9.832
  696    HB2  LEU  90           1HB      LEU  90  -4.899   2.735 -11.782
  697    HB3  LEU  90           2HB      LEU  90  -4.287   3.096 -10.184
  698    HG   LEU  90           HG       LEU  90  -4.123   0.261 -11.045
  699   HD11  LEU  90          1HD1      LEU  90  -3.497   1.384 -13.106
  700   HD12  LEU  90          2HD1      LEU  90  -2.388   2.432 -12.220
  701   HD13  LEU  90          3HD1      LEU  90  -2.070   0.700 -12.327
  702   HD21  LEU  90          3HD2      LEU  90  -1.877   1.864  -9.967
  703   HD22  LEU  90          1HD2      LEU  90  -3.257   1.567  -8.910
  704   HD23  LEU  90          2HD2      LEU  90  -2.371   0.210  -9.603
  705    H    ASN  91           H        ASN  91  -8.372   0.729  -9.994
  706    HA   ASN  91           HA       ASN  91  -8.504   0.151 -12.874
  707    HB2  ASN  91           1HB      ASN  91 -10.602  -1.145 -12.384
  708    HB3  ASN  91           2HB      ASN  91  -9.141  -1.798 -11.686
  709   HD21  ASN  91          1HD2      ASN  91  -9.837  -2.872  -9.978
  710   HD22  ASN  91          2HD2      ASN  91 -10.725  -2.162  -8.673
  711    H    LEU  92           H        LEU  92 -11.627   0.304 -11.845
  712    HA   LEU  92           HA       LEU  92 -12.078   3.126 -12.208
  713    HB2  LEU  92           1HB      LEU  92 -13.255   2.954 -14.288
  714    HB3  LEU  92           2HB      LEU  92 -11.664   2.253 -14.509
  715    HG   LEU  92           HG       LEU  92 -14.050   0.519 -13.920
  716   HD11  LEU  92          1HD1      LEU  92 -14.695   1.775 -15.854
  717   HD12  LEU  92          2HD1      LEU  92 -13.117   1.529 -16.602
  718   HD13  LEU  92          3HD1      LEU  92 -14.209   0.161 -16.373
  719   HD21  LEU  92          3HD2      LEU  92 -11.696  -0.366 -13.747
  720   HD22  LEU  92          1HD2      LEU  92 -12.751  -1.222 -14.869
  721   HD23  LEU  92          2HD2      LEU  92 -11.549  -0.089 -15.484
  722    H    GLY  93           H        GLY  93 -12.710   0.569 -10.550
  723    HA2  GLY  93           2HA      GLY  93 -14.471   0.016  -9.157
  724    HA3  GLY  93           1HA      GLY  93 -15.424   1.285  -9.913
  725    H    SER  94           H        SER  94 -15.744  -1.703  -9.253
  726    HA   SER  94           HA       SER  94 -16.794  -3.527 -10.069
  727    HB2  SER  94           1HB      SER  94 -18.652  -3.132 -11.701
  728    HB3  SER  94           2HB      SER  94 -18.702  -2.097 -10.277
  729    HG   SER  94           HG       SER  94 -17.281  -0.841 -12.121
  730    H    ASN  95           H        ASN  95 -14.595  -4.146 -10.812
  731    HA   ASN  95           HA       ASN  95 -13.957  -4.082 -13.581
  732    HB2  ASN  95           1HB      ASN  95 -13.162  -6.130 -11.501
  733    HB3  ASN  95           2HB      ASN  95 -12.476  -6.002 -13.112
  734   HD21  ASN  95          1HD2      ASN  95 -11.814  -5.477 -10.070
  735   HD22  ASN  95          2HD2      ASN  95 -10.801  -4.081 -10.178
  736    H    ARG  96           H        ARG  96 -14.640  -5.291 -15.211
  737    HA   ARG  96           HA       ARG  96 -15.972  -7.811 -14.748
  738    HB2  ARG  96           1HB      ARG  96 -17.895  -6.873 -16.331
  739    HB3  ARG  96           2HB      ARG  96 -17.984  -6.752 -14.583
  740    HG2  ARG  96           1HG      ARG  96 -18.660  -4.669 -15.562
  741    HG3  ARG  96           2HG      ARG  96 -17.122  -4.439 -14.728
  742    HD2  ARG  96           1HD      ARG  96 -15.941  -4.576 -16.854
  743    HD3  ARG  96           2HD      ARG  96 -17.460  -4.865 -17.697
  744    HE   ARG  96           HE       ARG  96 -16.400  -2.349 -16.867
  745   HH11  ARG  96          2HH1      ARG  96 -19.387  -4.085 -17.451
  746   HH12  ARG  96          1HH1      ARG  96 -20.316  -2.648 -17.754
  747   HH21  ARG  96          2HH2      ARG  96 -17.607  -0.456 -17.290
  748   HH22  ARG  96          1HH2      ARG  96 -19.304  -0.580 -17.658
  749    H    LEU  97           H        LEU  97 -17.203  -7.160 -17.568
  750    HA   LEU  97           HA       LEU  97 -16.698  -7.574 -19.732
  751    HB2  LEU  97           1HB      LEU  97 -13.912  -6.737 -18.927
  752    HB3  LEU  97           2HB      LEU  97 -14.426  -7.032 -20.577
  753    HG   LEU  97           HG       LEU  97 -15.540  -4.891 -18.765
  754   HD11  LEU  97          1HD1      LEU  97 -13.117  -4.751 -19.742
  755   HD12  LEU  97          2HD1      LEU  97 -13.966  -4.357 -21.237
  756   HD13  LEU  97          3HD1      LEU  97 -14.193  -3.353 -19.806
  757   HD21  LEU  97          3HD2      LEU  97 -16.554  -6.080 -21.151
  758   HD22  LEU  97          1HD2      LEU  97 -17.233  -4.768 -20.189
  759   HD23  LEU  97          2HD2      LEU  97 -16.092  -4.411 -21.486
  760    H    ASP  98           H        ASP  98 -16.540  -9.582 -17.651
  761    HA   ASP  98           HA       ASP  98 -14.699 -11.508 -18.879
  762    HB2  ASP  98           1HB      ASP  98 -15.036 -12.930 -16.986
  763    HB3  ASP  98           2HB      ASP  98 -14.740 -11.314 -16.363
  764    H    ARG  99           H        ARG  99 -17.957 -10.537 -18.539
  765    HA   ARG  99           HA       ARG  99 -18.728 -12.525 -20.531
  766    HB2  ARG  99           1HB      ARG  99 -20.217 -11.925 -17.976
  767    HB3  ARG  99           2HB      ARG  99 -21.037 -12.566 -19.393
  768    HG2  ARG  99           1HG      ARG  99 -18.783 -13.884 -17.895
  769    HG3  ARG  99           2HG      ARG  99 -20.486 -14.345 -17.849
  770    HD2  ARG  99           1HD      ARG  99 -18.586 -14.515 -20.181
  771    HD3  ARG  99           2HD      ARG  99 -19.394 -15.842 -19.346
  772    HE   ARG  99           HE       ARG  99 -20.457 -14.215 -21.448
  773   HH11  ARG  99          2HH1      ARG  99 -21.276 -16.308 -18.756
  774   HH12  ARG  99          1HH1      ARG  99 -22.965 -16.388 -19.172
  775   HH21  ARG  99          2HH2      ARG  99 -22.662 -14.341 -22.012
  776   HH22  ARG  99          1HH2      ARG  99 -23.752 -15.270 -21.028
  777    H    HIS 100           H        HIS 100 -19.383 -11.461 -22.253
  778    HA   HIS 100           HA       HIS 100 -21.182  -9.237 -22.174
  779    HB2  HIS 100           1HB      HIS 100 -19.020  -8.172 -21.477
  780    HB3  HIS 100           2HB      HIS 100 -18.323  -8.675 -23.011
  781    HD1  HIS 100           HD1      HIS 100 -17.872  -6.171 -23.568
  782    HD2  HIS 100           HD2      HIS 100 -21.892  -7.169 -23.164
  783    HE1  HIS 100           HE1      HIS 100 -19.158  -4.172 -24.399
  784    HE2  HIS 100           HE2      HIS 100 -21.582  -4.740 -24.008
  785    H    PHE 101           H        PHE 101 -18.604 -10.825 -24.007
  786    HA   PHE 101           HA       PHE 101 -18.445 -11.610 -26.116
  787    HB2  PHE 101           1HB      PHE 101 -20.483 -12.892 -25.467
  788    HB3  PHE 101           2HB      PHE 101 -21.474 -11.597 -26.125
  789    HD1  PHE 101           HD1      PHE 101 -18.479 -12.166 -28.004
  790    HD2  PHE 101           HD2      PHE 101 -22.473 -13.525 -27.440
  791    HE1  PHE 101           HE1      PHE 101 -18.408 -13.278 -30.197
  792    HE2  PHE 101           HE2      PHE 101 -22.408 -14.631 -29.637
  793    HZ   PHE 101           HZ       PHE 101 -20.377 -14.504 -31.020
  794    H    GLU 102           H        GLU 102 -17.615  -9.352 -26.407
  795    HA   GLU 102           HA       GLU 102 -19.373  -7.715 -28.072
  796    HB2  GLU 102           1HB      GLU 102 -17.476  -6.066 -28.041
  797    HB3  GLU 102           2HB      GLU 102 -18.180  -6.411 -26.469
  798    HG2  GLU 102           1HG      GLU 102 -15.839  -8.021 -27.291
  799    HG3  GLU 102           2HG      GLU 102 -15.563  -6.328 -26.882
  800    H    LYS 103           H        LYS 103 -18.108 -10.339 -28.815
  801    HA   LYS 103           HA       LYS 103 -17.248 -11.346 -30.653
  802    HB2  LYS 103           1HB      LYS 103 -18.142  -8.735 -31.875
  803    HB3  LYS 103           2HB      LYS 103 -17.454 -10.036 -32.834
  804    HG2  LYS 103           1HG      LYS 103 -19.780 -10.251 -33.037
  805    HG3  LYS 103           2HG      LYS 103 -19.282 -11.515 -31.915
  806    HD2  LYS 103           1HD      LYS 103 -21.296 -10.470 -31.098
  807    HD3  LYS 103           2HD      LYS 103 -19.954 -10.055 -30.032
  808    HE2  LYS 103           1HE      LYS 103 -19.748  -7.880 -31.126
  809    HE3  LYS 103           2HE      LYS 103 -21.066  -8.299 -32.219
  810    HZ1  LYS 103           3HZ      LYS 103 -22.018  -8.705 -29.648
  811    HZ2  LYS 103           1HZ      LYS 103 -22.457  -7.476 -30.731
  812    HZ3  LYS 103           2HZ      LYS 103 -21.207  -7.213 -29.617
  813    H    LYS 104           H        LYS 104 -15.367 -10.334 -28.973
  814    HA   LYS 104           HA       LYS 104 -13.385  -8.870 -30.514
  815    HB2  LYS 104           1HB      LYS 104 -13.639  -8.515 -28.071
  816    HB3  LYS 104           2HB      LYS 104 -13.166 -10.185 -27.796
  817    HG2  LYS 104           1HG      LYS 104 -10.983  -9.680 -28.871
  818    HG3  LYS 104           2HG      LYS 104 -11.469  -7.986 -28.956
  819    HD2  LYS 104           1HD      LYS 104 -11.773  -8.026 -26.477
  820    HD3  LYS 104           2HD      LYS 104 -11.093  -9.654 -26.470
  821    HE2  LYS 104           1HE      LYS 104  -9.704  -7.153 -27.438
  822    HE3  LYS 104           2HE      LYS 104  -9.406  -7.974 -25.906
  823    HZ1  LYS 104           3HZ      LYS 104  -7.724  -8.694 -27.339
  824    HZ2  LYS 104           1HZ      LYS 104  -8.783  -8.914 -28.642
  825    HZ3  LYS 104           2HZ      LYS 104  -8.827  -9.983 -27.324
  826    H    LYS 105           H        LYS 105 -13.703 -12.062 -29.037
  827    HA   LYS 105           HA       LYS 105 -12.179 -13.283 -31.189
  828    HB2  LYS 105           1HB      LYS 105 -11.303 -13.294 -28.304
  829    HB3  LYS 105           2HB      LYS 105 -10.850 -14.587 -29.402
  830    HG2  LYS 105           1HG      LYS 105 -10.213 -11.677 -29.832
  831    HG3  LYS 105           2HG      LYS 105  -9.109 -12.861 -29.130
  832    HD2  LYS 105           1HD      LYS 105 -10.313 -13.001 -31.893
  833    HD3  LYS 105           2HD      LYS 105  -8.664 -12.500 -31.514
  834    HE2  LYS 105           1HE      LYS 105  -8.198 -14.710 -30.583
  835    HE3  LYS 105           2HE      LYS 105  -9.854 -15.210 -30.928
  836    HZ1  LYS 105           3HZ      LYS 105  -7.915 -14.333 -32.997
  837    HZ2  LYS 105           1HZ      LYS 105  -9.453 -14.999 -33.255
  838    HZ3  LYS 105           2HZ      LYS 105  -8.216 -15.955 -32.599
  839    H    LYS 106           H        LYS 106 -14.699 -13.643 -31.134
  840    HA   LYS 106           HA       LYS 106 -16.450 -15.080 -30.905
  841    HB2  LYS 106           1HB      LYS 106 -14.362 -17.050 -29.924
  842    HB3  LYS 106           2HB      LYS 106 -16.009 -17.450 -30.395
  843    HG2  LYS 106           1HG      LYS 106 -15.563 -16.835 -32.677
  844    HG3  LYS 106           2HG      LYS 106 -13.953 -16.258 -32.243
  845    HD2  LYS 106           1HD      LYS 106 -13.770 -18.439 -33.248
  846    HD3  LYS 106           2HD      LYS 106 -13.367 -18.556 -31.534
  847    HE2  LYS 106           1HE      LYS 106 -14.758 -20.418 -32.126
  848    HE3  LYS 106           2HE      LYS 106 -15.681 -19.327 -31.094
  849    HZ1  LYS 106           3HZ      LYS 106 -16.872 -20.224 -33.088
  850    HZ2  LYS 106           1HZ      LYS 106 -15.857 -19.268 -34.054
  851    HZ3  LYS 106           2HZ      LYS 106 -16.900 -18.538 -32.931
  852    H    VAL 107           H        VAL 107 -15.691 -13.268 -28.904
  853    HA   VAL 107           HA       VAL 107 -17.288 -14.021 -26.715
  854    HB   VAL 107           HB       VAL 107 -15.194 -15.419 -26.303
  855   HG11  VAL 107          1HG1      VAL 107 -13.992 -12.695 -25.866
  856   HG12  VAL 107          2HG1      VAL 107 -13.265 -14.206 -25.316
  857   HG13  VAL 107          3HG1      VAL 107 -13.493 -13.911 -27.041
  858   HG21  VAL 107          3HG2      VAL 107 -15.882 -13.375 -24.196
  859   HG22  VAL 107          1HG2      VAL 107 -16.795 -14.846 -24.531
  860   HG23  VAL 107          2HG2      VAL 107 -15.144 -14.954 -23.922
  Start of MODEL   19
    1    H1   GLY  -1           1H       GLY  -1  -7.895  -4.831 -18.239
    2    H2   GLY  -1           2H       GLY  -1  -8.795  -3.823 -19.265
    3    H3   GLY  -1           3H       GLY  -1  -9.294  -5.423 -19.000
    4    HA2  GLY  -1           1HA      GLY  -1  -9.590  -4.864 -16.609
    5    HA3  GLY  -1           2HA      GLY  -1  -9.305  -3.187 -17.053
    6    H    GLY   0           H        GLY   0 -11.710  -4.418 -15.909
    7    HA2  GLY   0           2HA      GLY   0 -13.969  -3.961 -16.146
    8    HA3  GLY   0           1HA      GLY   0 -13.630  -3.247 -17.720
    9    H    SER   1           H        SER   1 -13.019  -6.479 -16.415
   10    HA   SER   1           HA       SER   1 -14.972  -7.666 -18.203
   11    HB2  SER   1           1HB      SER   1 -12.877  -7.380 -19.576
   12    HB3  SER   1           2HB      SER   1 -12.051  -8.436 -18.435
   13    HG   SER   1           HG       SER   1 -14.077  -9.043 -20.294
   14    H    SER   2           H        SER   2 -15.082  -7.561 -15.534
   15    HA   SER   2           HA       SER   2 -13.848  -9.848 -14.310
   16    HB2  SER   2           1HB      SER   2 -15.984  -7.977 -13.253
   17    HB3  SER   2           2HB      SER   2 -15.051  -9.130 -12.297
   18    HG   SER   2           HG       SER   2 -14.277  -6.874 -12.319
   19    H    ARG   3           H        ARG   3 -15.128 -10.949 -16.351
   20    HA   ARG   3           HA       ARG   3 -17.835 -11.663 -15.947
   21    HB2  ARG   3           1HB      ARG   3 -15.744 -13.360 -17.322
   22    HB3  ARG   3           2HB      ARG   3 -17.481 -13.398 -17.579
   23    HG2  ARG   3           1HG      ARG   3 -15.626 -11.139 -18.304
   24    HG3  ARG   3           2HG      ARG   3 -16.355 -12.294 -19.418
   25    HD2  ARG   3           1HD      ARG   3 -18.592 -11.461 -18.741
   26    HD3  ARG   3           2HD      ARG   3 -17.799 -10.242 -17.742
   27    HE   ARG   3           HE       ARG   3 -16.825 -10.126 -20.402
   28   HH11  ARG   3          2HH1      ARG   3 -19.630  -9.258 -18.469
   29   HH12  ARG   3          1HH1      ARG   3 -20.133  -8.003 -19.558
   30   HH21  ARG   3          2HH2      ARG   3 -17.512  -8.475 -21.828
   31   HH22  ARG   3          1HH2      ARG   3 -18.936  -7.547 -21.446
   32    H    HIS   4           H        HIS   4 -14.790 -13.237 -15.088
   33    HA   HIS   4           HA       HIS   4 -16.158 -15.087 -13.274
   34    HB2  HIS   4           1HB      HIS   4 -13.239 -14.667 -13.949
   35    HB3  HIS   4           2HB      HIS   4 -13.770 -15.718 -12.642
   36    HD1  HIS   4           HD1      HIS   4 -12.246 -17.259 -14.472
   37    HD2  HIS   4           HD2      HIS   4 -16.216 -16.379 -15.345
   38    HE1  HIS   4           HE1      HIS   4 -12.961 -18.966 -16.181
   39    HE2  HIS   4           HE2      HIS   4 -15.284 -18.249 -16.864
   40    H    GLN   5           H        GLN   5 -13.398 -12.891 -12.979
   41    HA   GLN   5           HA       GLN   5 -14.487 -11.053 -11.231
   42    HB2  GLN   5           1HB      GLN   5 -14.730 -12.773  -9.557
   43    HB3  GLN   5           2HB      GLN   5 -13.079 -13.321  -9.810
   44    HG2  GLN   5           1HG      GLN   5 -13.235 -12.068  -7.758
   45    HG3  GLN   5           2HG      GLN   5 -12.244 -11.195  -8.925
   46   HE21  GLN   5          1HE2      GLN   5 -14.402 -10.745  -6.597
   47   HE22  GLN   5          2HE2      GLN   5 -15.187  -9.306  -7.155
   48    H    PHE   6           H        PHE   6 -13.221  -9.373 -11.563
   49    HA   PHE   6           HA       PHE   6 -10.364  -9.656 -11.239
   50    HB2  PHE   6           1HB      PHE   6 -10.796  -9.968 -13.690
   51    HB3  PHE   6           2HB      PHE   6 -11.426  -8.325 -13.737
   52    HD1  PHE   6           HD1      PHE   6  -8.492  -9.690 -11.908
   53    HD2  PHE   6           HD2      PHE   6  -9.883  -7.128 -15.010
   54    HE1  PHE   6           HE1      PHE   6  -6.206  -8.843 -12.230
   55    HE2  PHE   6           HE2      PHE   6  -7.599  -6.277 -15.338
   56    HZ   PHE   6           HZ       PHE   6  -5.757  -7.137 -13.949
   57    H    ASP   7           H        ASP   7 -12.668  -8.502  -9.888
   58    HA   ASP   7           HA       ASP   7 -11.963  -5.657  -9.881
   59    HB2  ASP   7           1HB      ASP   7 -14.163  -7.200  -8.487
   60    HB3  ASP   7           2HB      ASP   7 -13.812  -5.506  -8.155
   61    H    LEU   8           H        LEU   8  -9.944  -7.288  -9.250
   62    HA   LEU   8           HA       LEU   8  -9.414  -6.778  -6.485
   63    HB2  LEU   8           1HB      LEU   8  -9.201  -9.012  -5.909
   64    HB3  LEU   8           2HB      LEU   8 -10.685  -8.934  -6.816
   65    HG   LEU   8           HG       LEU   8  -8.078 -10.176  -7.589
   66   HD11  LEU   8          1HD1      LEU   8 -10.557 -11.494  -8.287
   67   HD12  LEU   8          2HD1      LEU   8  -9.186 -12.092  -7.345
   68   HD13  LEU   8          3HD1      LEU   8 -10.445 -11.135  -6.562
   69   HD21  LEU   8          3HD2      LEU   8 -10.303  -9.505  -9.482
   70   HD22  LEU   8          1HD2      LEU   8  -8.685  -8.803  -9.479
   71   HD23  LEU   8          2HD2      LEU   8  -8.903 -10.516  -9.847
   72    H    ILE   9           H        ILE   9  -8.317  -5.607  -8.691
   73    HA   ILE   9           HA       ILE   9  -5.890  -6.901  -9.428
   74    HB   ILE   9           HB       ILE   9  -6.390  -5.672 -11.242
   75   HG12  ILE   9          1HG1      ILE   9  -4.350  -4.577 -10.125
   76   HG13  ILE   9          2HG1      ILE   9  -5.088  -3.803 -11.522
   77   HG21  ILE   9          1HG2      ILE   9  -7.819  -3.788  -9.486
   78   HG22  ILE   9          2HG2      ILE   9  -7.628  -3.558 -11.217
   79   HG23  ILE   9          3HG2      ILE   9  -8.498  -4.965 -10.614
   80   HD11  ILE   9          3HD1      ILE   9  -4.716  -2.802  -8.896
   81   HD12  ILE   9          1HD1      ILE   9  -5.391  -1.994 -10.318
   82   HD13  ILE   9          2HD1      ILE   9  -6.443  -2.925  -9.246
   83    H    MET  10           H        MET  10  -3.851  -6.223  -8.833
   84    HA   MET  10           HA       MET  10  -3.613  -4.090  -6.887
   85    HB2  MET  10           1HB      MET  10  -3.422  -5.494  -5.146
   86    HB3  MET  10           2HB      MET  10  -3.522  -6.889  -6.195
   87    HG2  MET  10           1HG      MET  10  -1.541  -7.104  -4.982
   88    HG3  MET  10           2HG      MET  10  -1.058  -6.575  -6.598
   89    HE1  MET  10           3HE      MET  10  -1.721  -3.176  -3.622
   90    HE2  MET  10           1HE      MET  10  -2.808  -3.715  -4.906
   91    HE3  MET  10           2HE      MET  10  -2.565  -4.718  -3.468
   92    H    CYS  11           H        CYS  11  -1.846  -2.915  -7.304
   93    HA   CYS  11           HA       CYS  11  -0.747  -2.958  -9.757
   94    HB2  CYS  11           1HB      CYS  11  -0.701  -1.090  -8.060
   95    HB3  CYS  11           2HB      CYS  11   0.740  -1.836  -7.380
   96    H    LEU  12           H        LEU  12   0.981  -4.094  -6.849
   97    HA   LEU  12           HA       LEU  12   2.948  -5.187  -6.567
   98    HB2  LEU  12           1HB      LEU  12   1.575  -6.876  -8.632
   99    HB3  LEU  12           2HB      LEU  12   3.010  -7.387  -7.763
  100    HG   LEU  12           HG       LEU  12   0.287  -6.819  -6.620
  101   HD11  LEU  12          1HD1      LEU  12   1.826  -9.297  -6.150
  102   HD12  LEU  12          2HD1      LEU  12   0.085  -9.047  -6.302
  103   HD13  LEU  12          3HD1      LEU  12   1.101  -9.058  -7.742
  104   HD21  LEU  12          3HD2      LEU  12   1.099  -6.574  -4.563
  105   HD22  LEU  12          1HD2      LEU  12   2.291  -7.859  -4.785
  106   HD23  LEU  12          2HD2      LEU  12   2.645  -6.223  -5.344
  107    H    LYS  13           H        LYS  13   3.398  -3.055  -8.366
  108    HA   LYS  13           HA       LYS  13   5.260  -4.061 -10.355
  109    HB2  LYS  13           1HB      LYS  13   4.191  -1.409  -9.580
  110    HB3  LYS  13           2HB      LYS  13   5.833  -1.435 -10.205
  111    HG2  LYS  13           1HG      LYS  13   4.922  -2.708 -12.180
  112    HG3  LYS  13           2HG      LYS  13   3.312  -2.290 -11.579
  113    HD2  LYS  13           1HD      LYS  13   3.701   0.016 -11.845
  114    HD3  LYS  13           2HD      LYS  13   5.440  -0.217 -12.035
  115    HE2  LYS  13           1HE      LYS  13   4.848  -1.575 -14.096
  116    HE3  LYS  13           2HE      LYS  13   3.245  -0.862 -13.967
  117    HZ1  LYS  13           3HZ      LYS  13   5.478   0.231 -15.172
  118    HZ2  LYS  13           1HZ      LYS  13   5.231   1.141 -13.763
  119    HZ3  LYS  13           2HZ      LYS  13   3.985   0.990 -14.909
  120    H    GLN  14           H        GLN  14   7.511  -3.008 -10.293
  121    HA   GLN  14           HA       GLN  14   8.811  -3.755  -7.843
  122    HB2  GLN  14           1HB      GLN  14   9.839  -3.863 -10.153
  123    HB3  GLN  14           2HB      GLN  14   9.946  -2.110 -10.109
  124    HG2  GLN  14           1HG      GLN  14  12.064  -2.925  -9.497
  125    HG3  GLN  14           2HG      GLN  14  11.304  -2.333  -8.023
  126   HE21  GLN  14          1HE2      GLN  14  10.421  -5.381  -9.499
  127   HE22  GLN  14          2HE2      GLN  14  11.109  -6.388  -8.267
  128    HA   PRO  15           HA       PRO  15   7.735   0.042  -5.788
  129    HB2  PRO  15           1HB      PRO  15   9.822  -0.809  -3.884
  130    HB3  PRO  15           2HB      PRO  15   8.122  -0.435  -3.594
  131    HG2  PRO  15           1HG      PRO  15   9.008  -2.957  -3.545
  132    HG3  PRO  15           2HG      PRO  15   7.411  -2.551  -4.204
  133    HD2  PRO  15           1HD      PRO  15   9.950  -3.197  -5.640
  134    HD3  PRO  15           2HD      PRO  15   8.279  -3.648  -6.041
  135    H    GLY  16           H        GLY  16   8.555   2.085  -5.579
  136    HA2  GLY  16           2HA      GLY  16  11.172   2.593  -6.753
  137    HA3  GLY  16           1HA      GLY  16  10.000   3.804  -6.240
  138    H    VAL  17           H        VAL  17   9.572   3.754  -3.800
  139    HA   VAL  17           HA       VAL  17  11.326   2.717  -1.936
  140    HB   VAL  17           HB       VAL  17  13.077   4.077  -3.014
  141   HG11  VAL  17          1HG1      VAL  17  11.302   6.395  -2.285
  142   HG12  VAL  17          2HG1      VAL  17  13.009   6.562  -2.700
  143   HG13  VAL  17          3HG1      VAL  17  11.869   5.927  -3.887
  144   HG21  VAL  17          3HG2      VAL  17  14.053   4.241  -1.030
  145   HG22  VAL  17          1HG2      VAL  17  13.014   5.592  -0.574
  146   HG23  VAL  17          2HG2      VAL  17  12.484   3.935  -0.284
  147    H    GLN  18           H        GLN  18   9.300   5.395  -2.902
  148    HA   GLN  18           HA       GLN  18   8.822   6.486  -0.370
  149    HB2  GLN  18           1HB      GLN  18   7.085   6.550  -2.843
  150    HB3  GLN  18           2HB      GLN  18   6.853   7.565  -1.425
  151    HG2  GLN  18           1HG      GLN  18   9.083   8.538  -1.776
  152    HG3  GLN  18           2HG      GLN  18   9.268   7.547  -3.218
  153   HE21  GLN  18          1HE2      GLN  18   6.116   8.307  -3.138
  154   HE22  GLN  18          2HE2      GLN  18   6.134   9.732  -4.106
  155    H    THR  19           H        THR  19   7.489   6.045   1.233
  156    HA   THR  19           HA       THR  19   6.228   3.489   1.363
  157    HB   THR  19           HB       THR  19   5.921   5.744   3.345
  158    HG1  THR  19           HG1      THR  19   7.906   5.277   4.126
  159   HG21  THR  19          1HG2      THR  19   5.772   3.929   4.971
  160   HG22  THR  19          2HG2      THR  19   5.999   2.742   3.685
  161   HG23  THR  19          3HG2      THR  19   4.544   3.740   3.718
  162    H    GLY  20           H        GLY  20   4.093   2.968   1.246
  163    HA2  GLY  20           2HA      GLY  20   2.346   4.805  -0.089
  164    HA3  GLY  20           1HA      GLY  20   1.952   3.169   0.412
  165    H    LEU  21           H        LEU  21   0.749   6.034   0.676
  166    HA   LEU  21           HA       LEU  21   0.297   6.045   3.566
  167    HB2  LEU  21           1HB      LEU  21  -0.221   8.088   1.421
  168    HB3  LEU  21           2HB      LEU  21  -0.827   8.260   3.058
  169    HG   LEU  21           HG       LEU  21   2.090   8.036   2.318
  170   HD11  LEU  21          1HD1      LEU  21   0.642  10.476   3.301
  171   HD12  LEU  21          2HD1      LEU  21   2.267  10.363   2.625
  172   HD13  LEU  21          3HD1      LEU  21   0.860  10.133   1.585
  173   HD21  LEU  21          3HD2      LEU  21   0.595   8.149   4.874
  174   HD22  LEU  21          1HD2      LEU  21   2.107   7.333   4.480
  175   HD23  LEU  21          2HD2      LEU  21   2.092   9.074   4.765
  176    H    LEU  22           H        LEU  22  -1.689   5.879   4.487
  177    HA   LEU  22           HA       LEU  22  -3.908   5.037   2.735
  178    HB2  LEU  22           1HB      LEU  22  -3.348   4.372   5.624
  179    HB3  LEU  22           2HB      LEU  22  -4.829   3.952   4.789
  180    HG   LEU  22           HG       LEU  22  -2.067   2.916   4.213
  181   HD11  LEU  22          1HD1      LEU  22  -4.555   1.491   5.152
  182   HD12  LEU  22          2HD1      LEU  22  -2.939   0.806   4.960
  183   HD13  LEU  22          3HD1      LEU  22  -3.243   2.016   6.206
  184   HD21  LEU  22          3HD2      LEU  22  -4.475   1.810   2.875
  185   HD22  LEU  22          1HD2      LEU  22  -3.823   3.329   2.264
  186   HD23  LEU  22          2HD2      LEU  22  -2.806   1.893   2.315
  187    H    CYS  23           H        CYS  23  -5.835   6.019   2.915
  188    HA   CYS  23           HA       CYS  23  -6.079   8.383   4.599
  189    HB2  CYS  23           1HB      CYS  23  -7.989   8.935   3.369
  190    HB3  CYS  23           2HB      CYS  23  -6.989   8.141   2.159
  191    H    GLU  24           H        GLU  24  -7.669   8.493   6.274
  192    HA   GLU  24           HA       GLU  24  -7.693   6.299   7.926
  193    HB2  GLU  24           1HB      GLU  24  -9.619   8.616   7.917
  194    HB3  GLU  24           2HB      GLU  24  -9.461   7.460   9.234
  195    HG2  GLU  24           1HG      GLU  24  -7.074   8.107   9.443
  196    HG3  GLU  24           2HG      GLU  24  -7.352   9.358   8.233
  197    H    LYS  25           H        LYS  25  -9.970   7.010   5.386
  198    HA   LYS  25           HA       LYS  25 -12.052   5.285   6.222
  199    HB2  LYS  25           1HB      LYS  25 -11.281   6.183   3.441
  200    HB3  LYS  25           2HB      LYS  25 -12.783   5.368   3.856
  201    HG2  LYS  25           1HG      LYS  25 -11.905   8.032   4.947
  202    HG3  LYS  25           2HG      LYS  25 -13.041   7.801   3.619
  203    HD2  LYS  25           1HD      LYS  25 -14.543   6.580   5.127
  204    HD3  LYS  25           2HD      LYS  25 -13.404   6.827   6.453
  205    HE2  LYS  25           1HE      LYS  25 -13.687   9.242   6.255
  206    HE3  LYS  25           2HE      LYS  25 -14.797   9.012   4.904
  207    HZ1  LYS  25           3HZ      LYS  25 -16.332   9.133   6.521
  208    HZ2  LYS  25           1HZ      LYS  25 -15.253   8.692   7.754
  209    HZ3  LYS  25           2HZ      LYS  25 -15.954   7.499   6.775
  210    H    CYS  26           H        CYS  26  -9.005   4.702   4.607
  211    HA   CYS  26           HA       CYS  26  -9.776   1.888   4.223
  212    HB2  CYS  26           1HB      CYS  26  -7.358   3.268   3.042
  213    HB3  CYS  26           2HB      CYS  26  -7.946   1.655   2.666
  214    H    ASP  27           H        ASP  27  -8.060   4.010   6.158
  215    HA   ASP  27           HA       ASP  27  -5.738   2.640   6.802
  216    HB2  ASP  27           1HB      ASP  27  -6.197   4.978   7.426
  217    HB3  ASP  27           2HB      ASP  27  -7.399   4.425   8.585
  218    H    GLY  28           H        GLY  28  -5.509   0.705   7.564
  219    HA2  GLY  28           2HA      GLY  28  -5.847  -0.673   9.660
  220    HA3  GLY  28           1HA      GLY  28  -7.560  -0.382   9.382
  221    H    LYS  29           H        LYS  29  -7.327  -0.511   6.518
  222    HA   LYS  29           HA       LYS  29  -7.515  -3.365   6.157
  223    HB2  LYS  29           1HB      LYS  29  -7.625  -1.155   4.094
  224    HB3  LYS  29           2HB      LYS  29  -8.127  -2.822   3.865
  225    HG2  LYS  29           1HG      LYS  29 -10.015  -2.557   5.234
  226    HG3  LYS  29           2HG      LYS  29  -9.417  -1.034   5.897
  227    HD2  LYS  29           1HD      LYS  29  -9.700   0.067   3.787
  228    HD3  LYS  29           2HD      LYS  29 -10.110  -1.454   2.995
  229    HE2  LYS  29           1HE      LYS  29 -12.113  -0.162   3.394
  230    HE3  LYS  29           2HE      LYS  29 -12.129  -1.618   4.384
  231    HZ1  LYS  29           3HZ      LYS  29 -12.757   0.684   5.395
  232    HZ2  LYS  29           1HZ      LYS  29 -11.079   0.867   5.545
  233    HZ3  LYS  29           2HZ      LYS  29 -11.858  -0.430   6.299
  234    H    CYS  30           H        CYS  30  -6.053  -4.673   5.208
  235    HA   CYS  30           HA       CYS  30  -3.421  -3.647   4.549
  236    HB2  CYS  30           1HB      CYS  30  -3.459  -5.768   5.648
  237    HB3  CYS  30           2HB      CYS  30  -4.660  -6.398   4.530
  238    HA   PRO  31           HA       PRO  31  -4.738  -2.533   0.467
  239    HB2  PRO  31           1HB      PRO  31  -2.157  -2.581  -0.629
  240    HB3  PRO  31           2HB      PRO  31  -2.951  -1.194   0.117
  241    HG2  PRO  31           1HG      PRO  31  -0.989  -3.108   1.281
  242    HG3  PRO  31           2HG      PRO  31  -1.168  -1.367   1.566
  243    HD2  PRO  31           1HD      PRO  31  -2.002  -3.149   3.372
  244    HD3  PRO  31           2HD      PRO  31  -2.932  -1.667   3.052
  245    H    ILE  32           H        ILE  32  -2.347  -5.149   0.768
  246    HA   ILE  32           HA       ILE  32  -2.609  -6.130  -1.829
  247    HB   ILE  32           HB       ILE  32  -1.876  -7.715   0.632
  248   HG12  ILE  32          1HG1      ILE  32  -0.552  -5.549   0.074
  249   HG13  ILE  32          2HG1      ILE  32   0.343  -7.028   0.400
  250   HG21  ILE  32          1HG2      ILE  32  -0.859  -9.291  -0.796
  251   HG22  ILE  32          2HG2      ILE  32  -2.450  -8.973  -1.488
  252   HG23  ILE  32          3HG2      ILE  32  -1.014  -8.234  -2.200
  253   HD11  ILE  32          3HD1      ILE  32  -0.344  -6.433  -2.421
  254   HD12  ILE  32          1HD1      ILE  32   0.907  -5.457  -1.646
  255   HD13  ILE  32          2HD1      ILE  32   1.084  -7.213  -1.734
  256    H    CYS  33           H        CYS  33  -4.201  -7.281   1.147
  257    HA   CYS  33           HA       CYS  33  -5.794  -9.085  -0.524
  258    HB2  CYS  33           1HB      CYS  33  -6.048 -10.468   1.475
  259    HB3  CYS  33           2HB      CYS  33  -4.352 -10.152   1.136
  260    H    ASP  34           H        ASP  34  -6.122  -6.336   1.461
  261    HA   ASP  34           HA       ASP  34  -7.881  -5.126   2.207
  262    HB2  ASP  34           1HB      ASP  34  -8.750  -5.497  -0.123
  263    HB3  ASP  34           2HB      ASP  34  -9.655  -6.873   0.497
  264    H    SER  35           H        SER  35  -7.335  -6.178   4.203
  265    HA   SER  35           HA       SER  35  -9.597  -7.421   5.456
  266    HB2  SER  35           1HB      SER  35  -8.507  -9.387   4.441
  267    HB3  SER  35           2HB      SER  35  -6.984  -8.944   5.209
  268    HG   SER  35           HG       SER  35  -9.328  -9.394   6.730
  269    H    TYR  36           H        TYR  36  -9.497  -7.245   7.715
  270    HA   TYR  36           HA       TYR  36  -7.587  -5.263   8.648
  271    HB2  TYR  36           1HB      TYR  36 -10.054  -6.472   9.890
  272    HB3  TYR  36           2HB      TYR  36  -8.997  -5.366  10.758
  273    HD1  TYR  36           HD2      TYR  36 -10.683  -5.487   7.403
  274    HD2  TYR  36           HD1      TYR  36  -9.717  -3.203  10.859
  275    HE1  TYR  36           HE2      TYR  36 -11.924  -3.581   6.483
  276    HE2  TYR  36           HE1      TYR  36 -10.966  -1.291   9.952
  277    HH   TYR  36           HH       TYR  36 -12.960  -1.035   8.253
  278    H    VAL  37           H        VAL  37  -6.649  -7.949   8.107
  279    HA   VAL  37           HA       VAL  37  -6.088  -9.187  10.644
  280    HB   VAL  37           HB       VAL  37  -6.247 -10.640   8.743
  281   HG11  VAL  37          1HG1      VAL  37  -5.803  -9.534   6.823
  282   HG12  VAL  37          2HG1      VAL  37  -4.414  -8.682   7.501
  283   HG13  VAL  37          3HG1      VAL  37  -4.263 -10.371   7.020
  284   HG21  VAL  37          3HG2      VAL  37  -3.804 -11.549   8.665
  285   HG22  VAL  37          1HG2      VAL  37  -3.528 -10.360   9.937
  286   HG23  VAL  37          2HG2      VAL  37  -4.733 -11.629  10.162
  287    H    ARG  38           H        ARG  38  -4.047  -9.294  11.620
  288    HA   ARG  38           HA       ARG  38  -2.945  -6.920  12.225
  289    HB2  ARG  38           1HB      ARG  38  -1.351  -9.478  12.283
  290    HB3  ARG  38           2HB      ARG  38  -1.167  -8.082  13.334
  291    HG2  ARG  38           1HG      ARG  38  -3.430  -8.502  14.222
  292    HG3  ARG  38           2HG      ARG  38  -3.500  -9.959  13.230
  293    HD2  ARG  38           1HD      ARG  38  -1.637 -10.918  14.415
  294    HD3  ARG  38           2HD      ARG  38  -1.411  -9.428  15.333
  295    HE   ARG  38           HE       ARG  38  -4.018 -10.247  15.784
  296   HH11  ARG  38          2HH1      ARG  38  -0.787 -11.462  16.387
  297   HH12  ARG  38          1HH1      ARG  38  -1.266 -12.393  17.780
  298   HH21  ARG  38          2HH2      ARG  38  -4.631 -11.414  17.638
  299   HH22  ARG  38          1HH2      ARG  38  -3.447 -12.340  18.506
  300    HA   PRO  39           HA       PRO  39  -0.232  -5.904   8.813
  301    HB2  PRO  39           1HB      PRO  39   0.360  -3.431   9.662
  302    HB3  PRO  39           2HB      PRO  39  -1.222  -3.824   8.981
  303    HG2  PRO  39           1HG      PRO  39  -0.421  -3.456  11.828
  304    HG3  PRO  39           2HG      PRO  39  -1.922  -2.985  11.013
  305    HD2  PRO  39           1HD      PRO  39  -1.584  -5.245  12.589
  306    HD3  PRO  39           2HD      PRO  39  -2.884  -5.000  11.408
  307    H    LYS  40           H        LYS  40   2.029  -5.799   8.543
  308    HA   LYS  40           HA       LYS  40   3.620  -5.925  11.020
  309    HB2  LYS  40           1HB      LYS  40   3.245  -8.194  10.145
  310    HB3  LYS  40           2HB      LYS  40   3.949  -7.713   8.608
  311    HG2  LYS  40           1HG      LYS  40   6.068  -7.200   9.833
  312    HG3  LYS  40           2HG      LYS  40   5.337  -7.915  11.270
  313    HD2  LYS  40           1HD      LYS  40   5.788  -9.318   8.637
  314    HD3  LYS  40           2HD      LYS  40   6.773  -9.511  10.088
  315    HE2  LYS  40           1HE      LYS  40   3.847 -10.192   9.828
  316    HE3  LYS  40           2HE      LYS  40   5.180 -11.346   9.838
  317    HZ1  LYS  40           3HZ      LYS  40   5.612  -9.968  12.103
  318    HZ2  LYS  40           1HZ      LYS  40   4.763 -11.434  12.018
  319    HZ3  LYS  40           2HZ      LYS  40   3.916  -9.967  12.035
  320    H    ARG  41           H        ARG  41   4.153  -5.879   7.474
  321    HA   ARG  41           HA       ARG  41   6.513  -4.219   7.969
  322    HB2  ARG  41           1HB      ARG  41   5.689  -5.831   5.551
  323    HB3  ARG  41           2HB      ARG  41   7.147  -4.853   5.640
  324    HG2  ARG  41           1HG      ARG  41   7.864  -6.235   7.592
  325    HG3  ARG  41           2HG      ARG  41   6.480  -7.281   7.284
  326    HD2  ARG  41           1HD      ARG  41   8.496  -8.212   6.290
  327    HD3  ARG  41           2HD      ARG  41   7.342  -7.757   5.038
  328    HE   ARG  41           HE       ARG  41   9.899  -6.462   5.628
  329   HH11  ARG  41          2HH1      ARG  41   7.095  -6.770   3.572
  330   HH12  ARG  41          1HH1      ARG  41   7.610  -5.528   2.465
  331   HH21  ARG  41          2HH2      ARG  41  10.603  -4.856   4.170
  332   HH22  ARG  41          1HH2      ARG  41   9.591  -4.424   2.814
  333    H    LYS  42           H        LYS  42   6.894  -2.267   6.980
  334    HA   LYS  42           HA       LYS  42   4.609  -0.730   6.217
  335    HB2  LYS  42           1HB      LYS  42   7.561  -0.110   6.087
  336    HB3  LYS  42           2HB      LYS  42   6.291   1.051   5.719
  337    HG2  LYS  42           1HG      LYS  42   5.417   0.749   8.017
  338    HG3  LYS  42           2HG      LYS  42   6.799  -0.295   8.364
  339    HD2  LYS  42           1HD      LYS  42   8.325   1.536   7.926
  340    HD3  LYS  42           2HD      LYS  42   6.976   2.578   7.461
  341    HE2  LYS  42           1HE      LYS  42   7.617   3.128   9.704
  342    HE3  LYS  42           2HE      LYS  42   6.055   2.317   9.750
  343    HZ1  LYS  42           3HZ      LYS  42   8.559   1.525  10.907
  344    HZ2  LYS  42           1HZ      LYS  42   7.828   0.277  10.025
  345    HZ3  LYS  42           2HZ      LYS  42   6.987   1.028  11.292
  346    H    VAL  43           H        VAL  43   3.901  -0.108   4.265
  347    HA   VAL  43           HA       VAL  43   4.663  -1.715   2.024
  348    HB   VAL  43           HB       VAL  43   2.871  -0.553   0.823
  349   HG11  VAL  43          1HG1      VAL  43   2.116  -1.442   3.602
  350   HG12  VAL  43          2HG1      VAL  43   0.999  -1.274   2.247
  351   HG13  VAL  43          3HG1      VAL  43   2.292  -2.472   2.180
  352   HG21  VAL  43          3HG2      VAL  43   2.434   1.551   1.368
  353   HG22  VAL  43          1HG2      VAL  43   1.559   0.918   2.762
  354   HG23  VAL  43          2HG2      VAL  43   3.250   1.392   2.921
  355    H    ARG  44           H        ARG  44   5.517  -1.083   0.063
  356    HA   ARG  44           HA       ARG  44   6.431   1.689  -0.177
  357    HB2  ARG  44           1HB      ARG  44   8.113  -0.782  -0.585
  358    HB3  ARG  44           2HB      ARG  44   8.538   0.776  -1.284
  359    HG2  ARG  44           1HG      ARG  44   8.853   1.760   0.827
  360    HG3  ARG  44           2HG      ARG  44   8.039   0.432   1.653
  361    HD2  ARG  44           1HD      ARG  44   9.860  -1.066   1.076
  362    HD3  ARG  44           2HD      ARG  44  10.664   0.226   0.186
  363    HE   ARG  44           HE       ARG  44  10.300   1.215   2.720
  364   HH11  ARG  44          2HH1      ARG  44  11.919  -1.561   1.319
  365   HH12  ARG  44          1HH1      ARG  44  13.162  -1.613   2.541
  366   HH21  ARG  44          2HH2      ARG  44  11.910   1.148   4.328
  367   HH22  ARG  44          1HH2      ARG  44  13.140  -0.081   4.266
  368    H    VAL  45           H        VAL  45   5.623   2.528  -1.932
  369    HA   VAL  45           HA       VAL  45   4.327   0.812  -3.854
  370    HB   VAL  45           HB       VAL  45   3.426   2.917  -4.808
  371   HG11  VAL  45          1HG1      VAL  45   2.844   3.281  -1.960
  372   HG12  VAL  45          2HG1      VAL  45   1.769   2.887  -3.302
  373   HG13  VAL  45          3HG1      VAL  45   2.711   1.614  -2.527
  374   HG21  VAL  45          3HG2      VAL  45   4.990   4.582  -4.446
  375   HG22  VAL  45          1HG2      VAL  45   3.763   4.950  -3.233
  376   HG23  VAL  45          2HG2      VAL  45   5.246   4.120  -2.762
  377    H    CYS  46           H        CYS  46   4.510   1.047  -6.126
  378    HA   CYS  46           HA       CYS  46   7.205   1.065  -7.001
  379    HB2  CYS  46           1HB      CYS  46   6.412   0.330  -9.068
  380    HB3  CYS  46           2HB      CYS  46   5.232  -0.303  -7.930
  381    H    GLU  47           H        GLU  47   8.025   2.335  -8.779
  382    HA   GLU  47           HA       GLU  47   8.054   5.041  -8.254
  383    HB2  GLU  47           1HB      GLU  47   9.750   3.776  -9.555
  384    HB3  GLU  47           2HB      GLU  47   8.632   3.723 -10.909
  385    HG2  GLU  47           1HG      GLU  47  10.318   5.447 -11.194
  386    HG3  GLU  47           2HG      GLU  47   8.702   6.141 -11.089
  387    H    ASN  48           H        ASN  48   6.046   3.267 -10.590
  388    HA   ASN  48           HA       ASN  48   4.942   5.481 -11.901
  389    HB2  ASN  48           1HB      ASN  48   4.560   2.683 -11.919
  390    HB3  ASN  48           2HB      ASN  48   2.974   3.413 -11.679
  391   HD21  ASN  48          1HD2      ASN  48   1.920   3.919 -13.449
  392   HD22  ASN  48          2HD2      ASN  48   2.632   4.272 -14.994
  393    H    CYS  49           H        CYS  49   4.030   3.978  -8.843
  394    HA   CYS  49           HA       CYS  49   1.734   5.792  -8.646
  395    HB2  CYS  49           1HB      CYS  49   2.549   3.549  -6.795
  396    HB3  CYS  49           2HB      CYS  49   1.054   4.473  -6.713
  397    H    SER  50           H        SER  50   4.475   6.818  -8.411
  398    HA   SER  50           HA       SER  50   4.168   8.120  -5.844
  399    HB2  SER  50           1HB      SER  50   6.484   7.502  -5.118
  400    HB3  SER  50           2HB      SER  50   5.351   6.153  -5.148
  401    HG   SER  50           HG       SER  50   6.299   5.374  -6.962
  402    H    PHE  51           H        PHE  51   5.841   7.862  -8.902
  403    HA   PHE  51           HA       PHE  51   7.828   9.641  -8.644
  404    HB2  PHE  51           1HB      PHE  51   7.823   9.992 -11.042
  405    HB3  PHE  51           2HB      PHE  51   7.491   8.314 -10.661
  406    HD1  PHE  51           HD2      PHE  51   5.911  11.480 -11.763
  407    HD2  PHE  51           HD1      PHE  51   5.577   7.248 -11.475
  408    HE1  PHE  51           HE2      PHE  51   3.964  11.535 -13.265
  409    HE2  PHE  51           HE1      PHE  51   3.642   7.296 -12.989
  410    HZ   PHE  51           HZ       PHE  51   2.827   9.439 -13.882
  411    H    GLY  52           H        GLY  52   4.463  10.599  -9.327
  412    HA2  GLY  52           2HA      GLY  52   4.725  13.058  -8.045
  413    HA3  GLY  52           1HA      GLY  52   5.095  13.324  -9.739
  414    H    LYS  53           H        LYS  53   3.031  14.491  -8.290
  415    HA   LYS  53           HA       LYS  53   0.815  14.953  -8.244
  416    HB2  LYS  53           1HB      LYS  53  -0.141  15.331 -10.435
  417    HB3  LYS  53           2HB      LYS  53   1.542  15.828 -10.408
  418    HG2  LYS  53           1HG      LYS  53   2.126  13.694 -11.537
  419    HG3  LYS  53           2HG      LYS  53   0.401  13.339 -11.658
  420    HD2  LYS  53           1HD      LYS  53   0.109  15.476 -12.897
  421    HD3  LYS  53           2HD      LYS  53   1.861  15.682 -12.874
  422    HE2  LYS  53           1HE      LYS  53   1.213  14.742 -14.988
  423    HE3  LYS  53           2HE      LYS  53   2.085  13.521 -14.062
  424    HZ1  LYS  53           3HZ      LYS  53  -0.574  13.196 -13.408
  425    HZ2  LYS  53           1HZ      LYS  53   0.361  12.195 -14.409
  426    HZ3  LYS  53           2HZ      LYS  53  -0.562  13.444 -15.084
  427    H    GLN  54           H        GLN  54   1.209  12.214  -7.498
  428    HA   GLN  54           HA       GLN  54  -1.423  11.381  -7.380
  429    HB2  GLN  54           1HB      GLN  54  -0.830  11.013  -9.914
  430    HB3  GLN  54           2HB      GLN  54  -0.028   9.565  -9.321
  431    HG2  GLN  54           1HG      GLN  54  -2.012   8.587  -8.641
  432    HG3  GLN  54           2HG      GLN  54  -2.873  10.125  -8.594
  433   HE21  GLN  54          1HE2      GLN  54  -1.170  10.351 -11.321
  434   HE22  GLN  54          2HE2      GLN  54  -2.296   9.685 -12.454
  435    H    ALA  55           H        ALA  55   0.606  11.545  -5.601
  436    HA   ALA  55           HA       ALA  55   1.140   8.721  -4.929
  437    HB1  ALA  55           3HB      ALA  55   3.336   9.233  -4.200
  438    HB2  ALA  55           1HB      ALA  55   3.148   9.940  -5.806
  439    HB3  ALA  55           2HB      ALA  55   3.062  10.965  -4.373
  440    H    LYS  56           H        LYS  56   0.358  11.935  -3.811
  441    HA   LYS  56           HA       LYS  56   0.619  11.392  -1.024
  442    HB2  LYS  56           1HB      LYS  56  -0.932  13.549  -2.470
  443    HB3  LYS  56           2HB      LYS  56  -0.626  13.514  -0.737
  444    HG2  LYS  56           1HG      LYS  56   1.459  13.687  -2.900
  445    HG3  LYS  56           2HG      LYS  56   0.920  15.006  -1.855
  446    HD2  LYS  56           1HD      LYS  56   1.947  14.124   0.013
  447    HD3  LYS  56           2HD      LYS  56   1.940  12.482  -0.635
  448    HE2  LYS  56           1HE      LYS  56   3.653  13.101  -2.243
  449    HE3  LYS  56           2HE      LYS  56   3.650  14.754  -1.626
  450    HZ1  LYS  56           3HZ      LYS  56   4.103  13.488   0.618
  451    HZ2  LYS  56           1HZ      LYS  56   5.365  13.904  -0.432
  452    HZ3  LYS  56           2HZ      LYS  56   4.749  12.324  -0.430
  453    H    ASN  57           H        ASN  57  -1.874  10.991  -3.381
  454    HA   ASN  57           HA       ASN  57  -4.038  10.685  -1.581
  455    HB2  ASN  57           1HB      ASN  57  -5.252   9.695  -3.452
  456    HB3  ASN  57           2HB      ASN  57  -4.420  11.151  -3.958
  457   HD21  ASN  57          1HD2      ASN  57  -3.381  11.032  -5.811
  458   HD22  ASN  57          2HD2      ASN  57  -2.804   9.577  -6.550
  459    H    CYS  58           H        CYS  58  -4.952   8.913  -0.725
  460    HA   CYS  58           HA       CYS  58  -3.312   6.962   0.317
  461    HB2  CYS  58           1HB      CYS  58  -5.219   7.355   1.516
  462    HB3  CYS  58           2HB      CYS  58  -6.237   7.421   0.088
  463    H    ILE  59           H        ILE  59  -2.586   5.089  -0.314
  464    HA   ILE  59           HA       ILE  59  -2.528   4.435  -2.991
  465    HB   ILE  59           HB       ILE  59  -1.382   2.335  -2.271
  466   HG12  ILE  59          1HG1      ILE  59  -2.092   3.411   0.470
  467   HG13  ILE  59          2HG1      ILE  59  -2.563   1.859  -0.210
  468   HG21  ILE  59          1HG2      ILE  59   0.009   4.235  -0.616
  469   HG22  ILE  59          2HG2      ILE  59   0.438   3.609  -2.208
  470   HG23  ILE  59          3HG2      ILE  59  -0.621   5.014  -2.068
  471   HD11  ILE  59          3HD1      ILE  59  -0.791   0.957   0.750
  472   HD12  ILE  59          1HD1      ILE  59   0.244   1.937  -0.289
  473   HD13  ILE  59          2HD1      ILE  59  -0.238   2.541   1.300
  474    H    ILE  60           H        ILE  60  -4.776   3.277  -0.591
  475    HA   ILE  60           HA       ILE  60  -5.554   0.996  -2.142
  476    HB   ILE  60           HB       ILE  60  -6.802   2.239   0.306
  477   HG12  ILE  60          1HG1      ILE  60  -5.160  -0.263  -0.146
  478   HG13  ILE  60          2HG1      ILE  60  -4.648   1.186   0.712
  479   HG21  ILE  60          1HG2      ILE  60  -7.540  -0.421  -0.895
  480   HG22  ILE  60          2HG2      ILE  60  -8.322   0.428   0.439
  481   HG23  ILE  60          3HG2      ILE  60  -8.450   1.059  -1.203
  482   HD11  ILE  60          3HD1      ILE  60  -5.849   0.668   2.581
  483   HD12  ILE  60          1HD1      ILE  60  -7.054  -0.261   1.688
  484   HD13  ILE  60          2HD1      ILE  60  -5.460  -0.950   1.996
  485    H    CYS  61           H        CYS  61  -6.965   4.229  -1.585
  486    HA   CYS  61           HA       CYS  61  -9.004   3.484  -3.555
  487    HB2  CYS  61           1HB      CYS  61 -10.445   5.221  -2.624
  488    HB3  CYS  61           2HB      CYS  61  -9.965   4.050  -1.404
  489    H    ASN  62           H        ASN  62  -6.247   5.390  -3.257
  490    HA   ASN  62           HA       ASN  62  -5.251   6.958  -4.589
  491    HB2  ASN  62           1HB      ASN  62  -7.078   6.262  -6.851
  492    HB3  ASN  62           2HB      ASN  62  -5.342   6.553  -6.864
  493   HD21  ASN  62          1HD2      ASN  62  -7.864   4.288  -6.444
  494   HD22  ASN  62          2HD2      ASN  62  -6.876   2.857  -6.390
  495    H    LEU  63           H        LEU  63  -7.716   7.768  -3.178
  496    HA   LEU  63           HA       LEU  63  -8.560   9.929  -4.978
  497    HB2  LEU  63           1HB      LEU  63  -9.974   7.676  -4.383
  498    HB3  LEU  63           2HB      LEU  63 -10.567   8.774  -3.161
  499    HG   LEU  63           HG       LEU  63 -12.054   8.838  -5.040
  500   HD11  LEU  63          1HD1      LEU  63 -10.841  11.081  -3.974
  501   HD12  LEU  63          2HD1      LEU  63 -10.791  11.358  -5.714
  502   HD13  LEU  63          3HD1      LEU  63 -12.330  11.041  -4.915
  503   HD21  LEU  63          3HD2      LEU  63 -10.133   8.062  -6.600
  504   HD22  LEU  63          1HD2      LEU  63 -11.425   9.075  -7.254
  505   HD23  LEU  63          2HD2      LEU  63  -9.865   9.789  -6.842
  506    H    ASN  64           H        ASN  64  -9.118   8.846  -1.634
  507    HA   ASN  64           HA       ASN  64  -8.980  11.564  -0.642
  508    HB2  ASN  64           1HB      ASN  64  -9.312   8.894   0.734
  509    HB3  ASN  64           2HB      ASN  64  -9.214  10.422   1.604
  510   HD21  ASN  64          1HD2      ASN  64 -11.260   8.225   0.174
  511   HD22  ASN  64          2HD2      ASN  64 -12.674   9.210   0.052
  512    H    VAL  65           H        VAL  65  -7.285  12.458   0.463
  513    HA   VAL  65           HA       VAL  65  -4.714  11.538  -0.168
  514    HB   VAL  65           HB       VAL  65  -5.363  13.475   2.055
  515   HG11  VAL  65          1HG1      VAL  65  -3.122  14.406   0.933
  516   HG12  VAL  65          2HG1      VAL  65  -3.118  13.236   2.254
  517   HG13  VAL  65          3HG1      VAL  65  -2.920  12.686   0.591
  518   HG21  VAL  65          3HG2      VAL  65  -6.097  13.715  -0.620
  519   HG22  VAL  65          1HG2      VAL  65  -6.034  15.002   0.585
  520   HG23  VAL  65          2HG2      VAL  65  -4.640  14.695  -0.454
  521    H    GLY  66           H        GLY  66  -3.225  10.346   0.876
  522    HA2  GLY  66           2HA      GLY  66  -4.100   8.677   3.044
  523    HA3  GLY  66           1HA      GLY  66  -2.526   8.643   2.266
  524    H    VAL  67           H        VAL  67  -3.463   8.664   5.139
  525    HA   VAL  67           HA       VAL  67  -1.902  10.999   6.013
  526    HB   VAL  67           HB       VAL  67  -3.121  10.795   8.192
  527   HG11  VAL  67          1HG1      VAL  67  -4.277  12.480   7.326
  528   HG12  VAL  67          2HG1      VAL  67  -4.005  11.859   5.698
  529   HG13  VAL  67          3HG1      VAL  67  -5.409  11.325   6.622
  530   HG21  VAL  67          3HG2      VAL  67  -4.948   8.965   6.637
  531   HG22  VAL  67          1HG2      VAL  67  -3.865   8.460   7.933
  532   HG23  VAL  67          2HG2      VAL  67  -5.203   9.556   8.278
  533    H    ASN  68           H        ASN  68  -2.536   7.554   6.692
  534    HA   ASN  68           HA       ASN  68  -0.024   7.521   8.247
  535    HB2  ASN  68           1HB      ASN  68  -2.332   5.575   8.439
  536    HB3  ASN  68           2HB      ASN  68  -0.893   5.591   9.450
  537   HD21  ASN  68          1HD2      ASN  68  -4.011   6.208   9.520
  538   HD22  ASN  68          2HD2      ASN  68  -4.073   7.527  10.655
  539    H    ASP  69           H        ASP  69   1.522   5.991   7.796
  540    HA   ASP  69           HA       ASP  69   1.658   4.923   5.169
  541    HB2  ASP  69           1HB      ASP  69   3.214   3.993   7.601
  542    HB3  ASP  69           2HB      ASP  69   3.661   3.756   5.917
  543    H    ALA  70           H        ALA  70   1.121   2.959   4.350
  544    HA   ALA  70           HA       ALA  70  -0.654   1.295   5.903
  545    HB1  ALA  70           3HB      ALA  70  -0.099   1.702   3.121
  546    HB2  ALA  70           1HB      ALA  70  -0.052  -0.020   3.506
  547    HB3  ALA  70           2HB      ALA  70  -1.491   0.933   3.884
  548    H    PHE  71           H        PHE  71  -0.393  -1.042   6.033
  549    HA   PHE  71           HA       PHE  71   2.408  -1.913   6.055
  550    HB2  PHE  71           1HB      PHE  71   0.416  -2.144   8.297
  551    HB3  PHE  71           2HB      PHE  71   1.736  -3.291   8.142
  552    HD1  PHE  71           HD2      PHE  71   1.268   0.421   8.104
  553    HD2  PHE  71           HD1      PHE  71   3.558  -2.903   9.439
  554    HE1  PHE  71           HE2      PHE  71   2.721   1.940   9.380
  555    HE2  PHE  71           HE1      PHE  71   5.010  -1.392  10.725
  556    HZ   PHE  71           HZ       PHE  71   4.595   1.033  10.693
  557    H    TYR  72           H        TYR  72   2.721  -3.887   5.232
  558    HA   TYR  72           HA       TYR  72   0.552  -5.380   4.071
  559    HB2  TYR  72           1HB      TYR  72   3.392  -6.292   4.598
  560    HB3  TYR  72           2HB      TYR  72   2.231  -7.058   3.524
  561    HD1  TYR  72           HD1      TYR  72   1.506  -5.790   1.441
  562    HD2  TYR  72           HD2      TYR  72   4.831  -4.622   3.821
  563    HE1  TYR  72           HE1      TYR  72   2.427  -4.540  -0.468
  564    HE2  TYR  72           HE2      TYR  72   5.756  -3.363   1.925
  565    HH   TYR  72           HH       TYR  72   4.414  -3.602  -1.280
  566    H    CYS  73           H        CYS  73  -0.667  -6.861   5.087
  567    HA   CYS  73           HA       CYS  73  -0.423  -7.268   7.857
  568    HB2  CYS  73           1HB      CYS  73  -2.366  -8.585   7.715
  569    HB3  CYS  73           2HB      CYS  73  -2.536  -7.410   6.417
  570    H    TRP  74           H        TRP  74  -0.319  -9.369   8.924
  571    HA   TRP  74           HA       TRP  74   2.069 -10.690   8.584
  572    HB2  TRP  74           1HB      TRP  74   0.737 -10.794  10.640
  573    HB3  TRP  74           2HB      TRP  74  -0.494 -11.734   9.806
  574    HD1  TRP  74           HD1      TRP  74   3.349 -12.319   9.890
  575    HE1  TRP  74           HE1      TRP  74   3.753 -14.737  10.692
  576    HE3  TRP  74           HE3      TRP  74  -1.493 -13.675  10.801
  577    HZ2  TRP  74           HZ2      TRP  74   2.212 -16.917  11.599
  578    HZ3  TRP  74           HZ3      TRP  74  -1.942 -15.946  11.637
  579    HH2  TRP  74           HH2      TRP  74  -0.129 -17.532  12.024
  580    H    GLU  75           H        GLU  75  -1.134 -11.664   7.415
  581    HA   GLU  75           HA       GLU  75  -0.411 -14.139   6.343
  582    HB2  GLU  75           1HB      GLU  75  -2.602 -12.252   5.465
  583    HB3  GLU  75           2HB      GLU  75  -2.471 -13.936   4.979
  584    HG2  GLU  75           1HG      GLU  75  -2.726 -13.027   7.832
  585    HG3  GLU  75           2HG      GLU  75  -4.091 -13.495   6.820
  586    H    CYS  76           H        CYS  76  -0.587 -10.958   4.730
  587    HA   CYS  76           HA       CYS  76   0.251 -11.912   2.194
  588    HB2  CYS  76           1HB      CYS  76   0.263  -9.158   3.411
  589    HB3  CYS  76           2HB      CYS  76   0.851  -9.469   1.783
  590    H    CYS  77           H        CYS  77   1.991 -10.660   4.984
  591    HA   CYS  77           HA       CYS  77   4.530 -10.461   3.773
  592    HB2  CYS  77           1HB      CYS  77   3.966  -9.441   5.957
  593    HB3  CYS  77           2HB      CYS  77   3.855 -11.048   6.667
  594    HG   CYS  77           HG       CYS  77   6.783 -10.667   5.191
  595    H    ARG  78           H        ARG  78   2.903 -13.079   5.492
  596    HA   ARG  78           HA       ARG  78   5.031 -14.943   5.345
  597    HB2  ARG  78           1HB      ARG  78   3.236 -15.215   6.950
  598    HB3  ARG  78           2HB      ARG  78   2.049 -15.333   5.659
  599    HG2  ARG  78           1HG      ARG  78   2.849 -17.454   4.989
  600    HG3  ARG  78           2HG      ARG  78   4.296 -17.301   5.989
  601    HD2  ARG  78           1HD      ARG  78   2.952 -17.397   8.002
  602    HD3  ARG  78           2HD      ARG  78   1.472 -17.439   7.043
  603    HE   ARG  78           HE       ARG  78   3.328 -19.621   7.517
  604   HH11  ARG  78          2HH1      ARG  78   0.555 -18.427   5.746
  605   HH12  ARG  78          1HH1      ARG  78   0.132 -19.982   5.098
  606   HH21  ARG  78          2HH2      ARG  78   2.803 -21.671   6.638
  607   HH22  ARG  78          1HH2      ARG  78   1.432 -21.824   5.580
  608    H    LEU  79           H        LEU  79   2.228 -14.303   3.287
  609    HA   LEU  79           HA       LEU  79   2.631 -16.412   1.453
  610    HB2  LEU  79           1HB      LEU  79   1.266 -13.738   1.168
  611    HB3  LEU  79           2HB      LEU  79   1.253 -14.960  -0.090
  612    HG   LEU  79           HG       LEU  79   0.137 -15.360   2.686
  613   HD11  LEU  79          1HD1      LEU  79  -2.056 -15.199   1.607
  614   HD12  LEU  79          2HD1      LEU  79  -1.150 -13.691   1.468
  615   HD13  LEU  79          3HD1      LEU  79  -1.275 -14.778   0.084
  616   HD21  LEU  79          3HD2      LEU  79   0.443 -17.502   2.051
  617   HD22  LEU  79          1HD2      LEU  79  -1.029 -17.216   1.124
  618   HD23  LEU  79          2HD2      LEU  79   0.546 -17.095   0.339
  619    H    GLY  80           H        GLY  80   3.931 -13.171   1.671
  620    HA2  GLY  80           2HA      GLY  80   5.946 -12.446   0.707
  621    HA3  GLY  80           1HA      GLY  80   5.910 -13.839  -0.369
  622    H    LYS  81           H        LYS  81   3.159 -11.753   0.132
  623    HA   LYS  81           HA       LYS  81   3.217 -10.974  -2.673
  624    HB2  LYS  81           1HB      LYS  81   1.186 -10.653  -0.472
  625    HB3  LYS  81           2HB      LYS  81   1.033  -9.807  -2.006
  626    HG2  LYS  81           1HG      LYS  81   1.013 -11.948  -3.186
  627    HG3  LYS  81           2HG      LYS  81   1.168 -12.795  -1.645
  628    HD2  LYS  81           1HD      LYS  81  -0.972 -12.093  -0.934
  629    HD3  LYS  81           2HD      LYS  81  -1.087 -10.891  -2.220
  630    HE2  LYS  81           1HE      LYS  81  -2.490 -12.778  -2.755
  631    HE3  LYS  81           2HE      LYS  81  -1.136 -12.713  -3.881
  632    HZ1  LYS  81           3HZ      LYS  81  -1.595 -14.599  -1.658
  633    HZ2  LYS  81           1HZ      LYS  81  -0.043 -14.374  -2.306
  634    HZ3  LYS  81           2HZ      LYS  81  -1.302 -14.938  -3.289
  635    H    ASP  82           H        ASP  82   4.042  -9.829   0.430
  636    HA   ASP  82           HA       ASP  82   3.975  -7.031  -0.076
  637    HB2  ASP  82           1HB      ASP  82   5.386  -6.818   1.908
  638    HB3  ASP  82           2HB      ASP  82   4.050  -7.917   2.216
  639    H    LYS  83           H        LYS  83   6.450  -9.533  -0.349
  640    HA   LYS  83           HA       LYS  83   8.492  -7.717  -1.166
  641    HB2  LYS  83           1HB      LYS  83   9.851  -9.681  -1.589
  642    HB3  LYS  83           2HB      LYS  83   9.004  -9.867  -0.062
  643    HG2  LYS  83           1HG      LYS  83   7.345 -11.303  -1.199
  644    HG3  LYS  83           2HG      LYS  83   8.289 -11.171  -2.683
  645    HD2  LYS  83           1HD      LYS  83   9.330 -12.272  -0.073
  646    HD3  LYS  83           2HD      LYS  83   8.733 -13.254  -1.410
  647    HE2  LYS  83           1HE      LYS  83  11.024 -11.306  -1.620
  648    HE3  LYS  83           2HE      LYS  83  11.217 -13.032  -1.322
  649    HZ1  LYS  83           3HZ      LYS  83   9.883 -13.317  -3.466
  650    HZ2  LYS  83           1HZ      LYS  83  11.492 -12.803  -3.608
  651    HZ3  LYS  83           2HZ      LYS  83  10.230 -11.685  -3.763
  652    H    ASP  84           H        ASP  84   5.870  -9.161  -2.778
  653    HA   ASP  84           HA       ASP  84   7.000  -9.460  -5.345
  654    HB2  ASP  84           1HB      ASP  84   4.670 -10.260  -4.404
  655    HB3  ASP  84           2HB      ASP  84   4.118  -8.719  -5.063
  656    H    GLY  85           H        GLY  85   5.115  -6.778  -3.896
  657    HA2  GLY  85           2HA      GLY  85   6.821  -4.841  -4.631
  658    HA3  GLY  85           1HA      GLY  85   5.876  -5.038  -6.089
  659    H    CYS  86           H        CYS  86   4.932  -3.238  -6.213
  660    HA   CYS  86           HA       CYS  86   4.157  -1.501  -4.227
  661    HB2  CYS  86           1HB      CYS  86   4.626  -0.867  -6.499
  662    HB3  CYS  86           2HB      CYS  86   3.269  -1.808  -7.091
  663    HA   PRO  87           HA       PRO  87   0.213  -3.302  -3.026
  664    HB2  PRO  87           1HB      PRO  87  -0.051  -1.963  -0.745
  665    HB3  PRO  87           2HB      PRO  87   1.194  -3.209  -0.915
  666    HG2  PRO  87           1HG      PRO  87   1.457  -0.232  -1.084
  667    HG3  PRO  87           2HG      PRO  87   2.510  -1.403  -0.274
  668    HD2  PRO  87           1HD      PRO  87   2.977  -0.331  -2.775
  669    HD3  PRO  87           2HD      PRO  87   3.660  -1.860  -2.190
  670    H    ARG  88           H        ARG  88  -0.010  -1.499  -5.086
  671    HA   ARG  88           HA       ARG  88  -1.828   0.598  -4.136
  672    HB2  ARG  88           1HB      ARG  88  -0.136   0.235  -6.536
  673    HB3  ARG  88           2HB      ARG  88  -1.673   1.053  -6.781
  674    HG2  ARG  88           1HG      ARG  88  -0.033   1.962  -4.506
  675    HG3  ARG  88           2HG      ARG  88   0.562   2.329  -6.128
  676    HD2  ARG  88           1HD      ARG  88  -1.484   3.444  -6.685
  677    HD3  ARG  88           2HD      ARG  88  -2.222   2.948  -5.164
  678    HE   ARG  88           HE       ARG  88   0.164   4.439  -4.732
  679   HH11  ARG  88          2HH1      ARG  88  -3.224   4.795  -5.537
  680   HH12  ARG  88          1HH1      ARG  88  -3.306   6.429  -4.946
  681   HH21  ARG  88          2HH2      ARG  88   0.037   6.585  -3.952
  682   HH22  ARG  88          1HH2      ARG  88  -1.479   7.426  -4.021
  683    H    ILE  89           H        ILE  89  -3.948   0.428  -4.353
  684    HA   ILE  89           HA       ILE  89  -5.032  -1.753  -5.973
  685    HB   ILE  89           HB       ILE  89  -6.418   0.084  -4.013
  686   HG12  ILE  89          1HG1      ILE  89  -4.968  -1.617  -2.975
  687   HG13  ILE  89          2HG1      ILE  89  -6.670  -1.946  -2.658
  688   HG21  ILE  89          1HG2      ILE  89  -7.553  -2.256  -5.542
  689   HG22  ILE  89          2HG2      ILE  89  -8.409  -1.250  -4.374
  690   HG23  ILE  89          3HG2      ILE  89  -7.866  -0.560  -5.906
  691   HD11  ILE  89          3HD1      ILE  89  -6.364  -3.441  -4.841
  692   HD12  ILE  89          1HD1      ILE  89  -4.702  -3.470  -4.247
  693   HD13  ILE  89          2HD1      ILE  89  -6.016  -4.036  -3.217
  694    H    LEU  90           H        LEU  90  -4.615  -0.931  -7.970
  695    HA   LEU  90           HA       LEU  90  -5.219   1.687  -8.822
  696    HB2  LEU  90           1HB      LEU  90  -5.152  -0.644 -10.688
  697    HB3  LEU  90           2HB      LEU  90  -4.576   0.995 -10.943
  698    HG   LEU  90           HG       LEU  90  -3.257  -0.818  -8.940
  699   HD11  LEU  90          1HD1      LEU  90  -3.251  -2.038 -10.997
  700   HD12  LEU  90          2HD1      LEU  90  -2.687  -0.616 -11.879
  701   HD13  LEU  90          3HD1      LEU  90  -1.638  -1.387 -10.688
  702   HD21  LEU  90          3HD2      LEU  90  -2.593   1.447  -8.720
  703   HD22  LEU  90          1HD2      LEU  90  -1.293   0.604  -9.566
  704   HD23  LEU  90          2HD2      LEU  90  -2.411   1.634 -10.466
  705    H    ASN  91           H        ASN  91  -7.030  -1.259  -8.579
  706    HA   ASN  91           HA       ASN  91  -9.267  -1.047 -10.084
  707    HB2  ASN  91           1HB      ASN  91  -8.637  -2.611  -8.077
  708    HB3  ASN  91           2HB      ASN  91  -9.569  -1.464  -7.127
  709   HD21  ASN  91          1HD2      ASN  91  -9.980  -4.269  -7.748
  710   HD22  ASN  91          2HD2      ASN  91 -11.562  -4.391  -8.435
  711    H    LEU  92           H        LEU  92 -11.173   0.108 -10.085
  712    HA   LEU  92           HA       LEU  92 -11.141   2.774  -9.175
  713    HB2  LEU  92           1HB      LEU  92 -12.436   2.005 -11.112
  714    HB3  LEU  92           2HB      LEU  92 -13.471   1.068 -10.047
  715    HG   LEU  92           HG       LEU  92 -14.061   3.268  -8.912
  716   HD11  LEU  92          1HD1      LEU  92 -12.681   4.940  -9.497
  717   HD12  LEU  92          2HD1      LEU  92 -12.299   4.224 -11.064
  718   HD13  LEU  92          3HD1      LEU  92 -13.802   5.121 -10.846
  719   HD21  LEU  92          3HD2      LEU  92 -15.927   3.021 -10.064
  720   HD22  LEU  92          1HD2      LEU  92 -15.181   3.783 -11.469
  721   HD23  LEU  92          2HD2      LEU  92 -15.066   2.037 -11.248
  722    H    GLY  93           H        GLY  93 -11.760   3.679  -7.331
  723    HA2  GLY  93           2HA      GLY  93 -12.787   2.058  -5.153
  724    HA3  GLY  93           1HA      GLY  93 -12.375   3.767  -5.086
  725    H    SER  94           H        SER  94 -14.636   1.778  -6.961
  726    HA   SER  94           HA       SER  94 -16.562   3.806  -7.225
  727    HB2  SER  94           1HB      SER  94 -16.293   1.785  -8.709
  728    HB3  SER  94           2HB      SER  94 -17.048   0.825  -7.437
  729    HG   SER  94           HG       SER  94 -18.283   2.061  -9.329
  730    H    ASN  95           H        ASN  95 -16.055   1.324  -4.824
  731    HA   ASN  95           HA       ASN  95 -16.964   0.941  -2.783
  732    HB2  ASN  95           1HB      ASN  95 -16.597   3.492  -2.730
  733    HB3  ASN  95           2HB      ASN  95 -18.333   3.620  -2.972
  734   HD21  ASN  95          1HD2      ASN  95 -17.698   0.851  -1.205
  735   HD22  ASN  95          2HD2      ASN  95 -17.936   1.498   0.380
  736    H    ARG  96           H        ARG  96 -18.276  -0.303  -4.756
  737    HA   ARG  96           HA       ARG  96 -21.087  -0.082  -3.915
  738    HB2  ARG  96           1HB      ARG  96 -21.673  -0.869  -6.271
  739    HB3  ARG  96           2HB      ARG  96 -21.155   0.798  -6.093
  740    HG2  ARG  96           1HG      ARG  96 -20.083   0.024  -8.016
  741    HG3  ARG  96           2HG      ARG  96 -18.842  -0.006  -6.763
  742    HD2  ARG  96           1HD      ARG  96 -19.360  -2.427  -6.434
  743    HD3  ARG  96           2HD      ARG  96 -20.413  -2.335  -7.844
  744    HE   ARG  96           HE       ARG  96 -17.853  -1.359  -8.502
  745   HH11  ARG  96          2HH1      ARG  96 -19.572  -4.348  -7.864
  746   HH12  ARG  96          1HH1      ARG  96 -18.427  -5.335  -8.728
  747   HH21  ARG  96          2HH2      ARG  96 -16.364  -2.645  -9.645
  748   HH22  ARG  96          1HH2      ARG  96 -16.578  -4.376  -9.709
  749    H    LEU  97           H        LEU  97 -18.915  -1.741  -2.954
  750    HA   LEU  97           HA       LEU  97 -20.040  -4.395  -3.582
  751    HB2  LEU  97           1HB      LEU  97 -17.285  -3.629  -2.611
  752    HB3  LEU  97           2HB      LEU  97 -17.880  -5.279  -2.617
  753    HG   LEU  97           HG       LEU  97 -17.725  -3.603  -5.116
  754   HD11  LEU  97          1HD1      LEU  97 -15.573  -4.698  -3.594
  755   HD12  LEU  97          2HD1      LEU  97 -15.720  -5.576  -5.116
  756   HD13  LEU  97          3HD1      LEU  97 -15.525  -3.824  -5.124
  757   HD21  LEU  97          3HD2      LEU  97 -18.761  -6.192  -4.472
  758   HD22  LEU  97          1HD2      LEU  97 -18.788  -5.331  -6.011
  759   HD23  LEU  97          2HD2      LEU  97 -17.411  -6.353  -5.597
  760    H    ASP  98           H        ASP  98 -21.314  -5.130  -2.056
  761    HA   ASP  98           HA       ASP  98 -22.303  -5.532  -0.054
  762    HB2  ASP  98           1HB      ASP  98 -19.689  -4.507   1.039
  763    HB3  ASP  98           2HB      ASP  98 -21.033  -4.940   2.087
  764    H    ARG  99           H        ARG  99 -23.786  -4.449   1.170
  765    HA   ARG  99           HA       ARG  99 -24.140  -1.672   0.509
  766    HB2  ARG  99           1HB      ARG  99 -25.756  -3.547   2.234
  767    HB3  ARG  99           2HB      ARG  99 -26.227  -1.891   1.870
  768    HG2  ARG  99           1HG      ARG  99 -25.744  -4.007  -0.206
  769    HG3  ARG  99           2HG      ARG  99 -27.331  -3.602   0.455
  770    HD2  ARG  99           1HD      ARG  99 -27.119  -1.329  -0.364
  771    HD3  ARG  99           2HD      ARG  99 -25.496  -1.667  -0.959
  772    HE   ARG  99           HE       ARG  99 -27.225  -3.499  -2.152
  773   HH11  ARG  99          2HH1      ARG  99 -26.734  -0.029  -2.083
  774   HH12  ARG  99          1HH1      ARG  99 -27.275   0.217  -3.719
  775   HH21  ARG  99          2HH2      ARG  99 -27.954  -3.187  -4.311
  776   HH22  ARG  99          1HH2      ARG  99 -27.957  -1.583  -4.994
  777    H    HIS 100           H        HIS 100 -21.919  -1.422   1.693
  778    HA   HIS 100           HA       HIS 100 -21.927  -1.280   4.521
  779    HB2  HIS 100           1HB      HIS 100 -20.148   0.090   2.489
  780    HB3  HIS 100           2HB      HIS 100 -19.872   0.132   4.228
  781    HD1  HIS 100           HD1      HIS 100 -20.075  -2.690   5.102
  782    HD2  HIS 100           HD2      HIS 100 -18.347  -1.622   1.471
  783    HE1  HIS 100           HE1      HIS 100 -18.529  -4.583   4.502
  784    HE2  HIS 100           HE2      HIS 100 -17.632  -4.001   2.218
  785    H    PHE 101           H        PHE 101 -22.624   0.270   5.864
  786    HA   PHE 101           HA       PHE 101 -23.742   2.697   4.653
  787    HB2  PHE 101           1HB      PHE 101 -25.034   2.963   6.715
  788    HB3  PHE 101           2HB      PHE 101 -25.308   1.376   6.009
  789    HD1  PHE 101           HD2      PHE 101 -23.556   3.181   8.720
  790    HD2  PHE 101           HD1      PHE 101 -24.833  -0.591   7.215
  791    HE1  PHE 101           HE2      PHE 101 -23.003   2.134  10.878
  792    HE2  PHE 101           HE1      PHE 101 -24.289  -1.641   9.370
  793    HZ   PHE 101           HZ       PHE 101 -23.371  -0.279  11.204
  794    H    GLU 102           H        GLU 102 -21.258   1.507   6.689
  795    HA   GLU 102           HA       GLU 102 -20.665   3.955   8.039
  796    HB2  GLU 102           1HB      GLU 102 -20.083   1.402   8.573
  797    HB3  GLU 102           2HB      GLU 102 -18.597   1.834   7.739
  798    HG2  GLU 102           1HG      GLU 102 -19.713   3.302  10.120
  799    HG3  GLU 102           2HG      GLU 102 -18.465   2.060  10.195
  800    H    LYS 103           H        LYS 103 -20.742   5.162   5.957
  801    HA   LYS 103           HA       LYS 103 -18.095   5.856   5.139
  802    HB2  LYS 103           1HB      LYS 103 -18.876   5.581   2.621
  803    HB3  LYS 103           2HB      LYS 103 -18.082   4.268   3.473
  804    HG2  LYS 103           1HG      LYS 103 -19.875   3.281   2.343
  805    HG3  LYS 103           2HG      LYS 103 -20.404   3.407   4.019
  806    HD2  LYS 103           1HD      LYS 103 -22.247   4.078   2.700
  807    HD3  LYS 103           2HD      LYS 103 -21.552   5.564   3.358
  808    HE2  LYS 103           1HE      LYS 103 -20.390   5.964   1.252
  809    HE3  LYS 103           2HE      LYS 103 -21.033   4.458   0.597
  810    HZ1  LYS 103           3HZ      LYS 103 -22.324   6.311  -0.184
  811    HZ2  LYS 103           1HZ      LYS 103 -22.604   6.846   1.402
  812    HZ3  LYS 103           2HZ      LYS 103 -23.279   5.384   0.868
  813    H    LYS 104           H        LYS 104 -18.347   7.645   3.305
  814    HA   LYS 104           HA       LYS 104 -19.755   9.725   4.453
  815    HB2  LYS 104           1HB      LYS 104 -17.937  10.049   2.829
  816    HB3  LYS 104           2HB      LYS 104 -18.978   9.455   1.541
  817    HG2  LYS 104           1HG      LYS 104 -20.496  11.343   1.905
  818    HG3  LYS 104           2HG      LYS 104 -19.428  11.944   3.176
  819    HD2  LYS 104           1HD      LYS 104 -18.626  11.539   0.298
  820    HD3  LYS 104           2HD      LYS 104 -19.104  13.085   1.002
  821    HE2  LYS 104           1HE      LYS 104 -17.238  12.972   2.559
  822    HE3  LYS 104           2HE      LYS 104 -16.772  11.398   1.913
  823    HZ1  LYS 104           3HZ      LYS 104 -15.414  12.677   0.668
  824    HZ2  LYS 104           1HZ      LYS 104 -16.392  14.058   0.790
  825    HZ3  LYS 104           2HZ      LYS 104 -16.787  12.832  -0.312
  826    H    LYS 105           H        LYS 105 -21.810  10.083   4.681
  827    HA   LYS 105           HA       LYS 105 -24.056  10.157   4.388
  828    HB2  LYS 105           1HB      LYS 105 -23.514   9.349   1.523
  829    HB3  LYS 105           2HB      LYS 105 -25.061   9.890   2.160
  830    HG2  LYS 105           1HG      LYS 105 -24.110  12.079   2.645
  831    HG3  LYS 105           2HG      LYS 105 -22.541  11.540   2.040
  832    HD2  LYS 105           1HD      LYS 105 -23.605  12.788   0.303
  833    HD3  LYS 105           2HD      LYS 105 -23.640  11.084  -0.159
  834    HE2  LYS 105           1HE      LYS 105 -25.773  12.064  -0.650
  835    HE3  LYS 105           2HE      LYS 105 -25.956  10.946   0.700
  836    HZ1  LYS 105           3HZ      LYS 105 -25.434  13.755   1.324
  837    HZ2  LYS 105           1HZ      LYS 105 -26.385  12.617   2.152
  838    HZ3  LYS 105           2HZ      LYS 105 -26.975  13.358   0.744
  839    H    LYS 106           H        LYS 106 -25.344   8.687   5.260
  840    HA   LYS 106           HA       LYS 106 -24.634   5.905   5.174
  841    HB2  LYS 106           1HB      LYS 106 -25.594   7.112   7.178
  842    HB3  LYS 106           2HB      LYS 106 -27.147   7.090   6.352
  843    HG2  LYS 106           1HG      LYS 106 -27.141   4.668   6.338
  844    HG3  LYS 106           2HG      LYS 106 -25.538   4.646   7.070
  845    HD2  LYS 106           1HD      LYS 106 -27.835   6.022   8.419
  846    HD3  LYS 106           2HD      LYS 106 -27.600   4.281   8.578
  847    HE2  LYS 106           1HE      LYS 106 -26.566   5.322  10.453
  848    HE3  LYS 106           2HE      LYS 106 -25.283   4.750   9.392
  849    HZ1  LYS 106           3HZ      LYS 106 -26.231   7.527   9.150
  850    HZ2  LYS 106           1HZ      LYS 106 -24.702   6.876   8.802
  851    HZ3  LYS 106           2HZ      LYS 106 -25.174   7.114  10.412
  852    H    VAL 107           H        VAL 107 -25.004   6.483   2.655
  853    HA   VAL 107           HA       VAL 107 -27.644   5.406   1.923
  854    HB   VAL 107           HB       VAL 107 -25.720   6.984   0.196
  855   HG11  VAL 107          1HG1      VAL 107 -28.426   6.769  -0.786
  856   HG12  VAL 107          2HG1      VAL 107 -26.903   6.382  -1.589
  857   HG13  VAL 107          3HG1      VAL 107 -27.693   5.178  -0.571
  858   HG21  VAL 107          3HG2      VAL 107 -26.865   8.317   1.959
  859   HG22  VAL 107          1HG2      VAL 107 -27.274   8.805   0.315
  860   HG23  VAL 107          2HG2      VAL 107 -28.410   7.839   1.255
  Start of MODEL   20
    1    H1   GLY  -1           1H       GLY  -1 -19.810  -7.745 -10.751
    2    H2   GLY  -1           2H       GLY  -1 -19.534  -8.232  -9.149
    3    H3   GLY  -1           3H       GLY  -1 -20.396  -6.806  -9.469
    4    HA2  GLY  -1           1HA      GLY  -1 -21.829  -8.680  -8.793
    5    HA3  GLY  -1           2HA      GLY  -1 -22.228  -7.992 -10.362
    6    H    GLY   0           H        GLY   0 -20.313  -9.102 -11.983
    7    HA2  GLY   0           2HA      GLY   0 -20.004 -11.906 -11.584
    8    HA3  GLY   0           1HA      GLY   0 -21.340 -11.565 -12.676
    9    H    SER   1           H        SER   1 -18.368 -12.575 -12.796
   10    HA   SER   1           HA       SER   1 -17.873 -11.593 -15.446
   11    HB2  SER   1           1HB      SER   1 -15.943 -10.853 -13.225
   12    HB3  SER   1           2HB      SER   1 -15.619 -10.664 -14.949
   13    HG   SER   1           HG       SER   1 -17.988  -9.538 -14.259
   14    H    SER   2           H        SER   2 -14.875 -12.284 -14.486
   15    HA   SER   2           HA       SER   2 -14.972 -14.999 -15.384
   16    HB2  SER   2           1HB      SER   2 -12.683 -13.571 -14.008
   17    HB3  SER   2           2HB      SER   2 -12.581 -14.995 -15.046
   18    HG   SER   2           HG       SER   2 -13.723 -13.383 -16.603
   19    H    ARG   3           H        ARG   3 -14.572 -13.358 -12.301
   20    HA   ARG   3           HA       ARG   3 -14.751 -14.006 -10.139
   21    HB2  ARG   3           1HB      ARG   3 -16.989 -14.789 -11.170
   22    HB3  ARG   3           2HB      ARG   3 -16.315 -16.408 -11.059
   23    HG2  ARG   3           1HG      ARG   3 -16.047 -16.133  -8.646
   24    HG3  ARG   3           2HG      ARG   3 -16.723 -14.506  -8.760
   25    HD2  ARG   3           1HD      ARG   3 -18.807 -15.481  -9.665
   26    HD3  ARG   3           2HD      ARG   3 -18.125 -17.090  -9.430
   27    HE   ARG   3           HE       ARG   3 -18.003 -15.687  -6.995
   28   HH11  ARG   3          2HH1      ARG   3 -20.398 -17.101  -9.154
   29   HH12  ARG   3          1HH1      ARG   3 -21.535 -17.407  -7.870
   30   HH21  ARG   3          2HH2      ARG   3 -19.513 -16.113  -5.326
   31   HH22  ARG   3          1HH2      ARG   3 -21.042 -16.848  -5.722
   32    H    HIS   4           H        HIS   4 -12.417 -14.783 -11.398
   33    HA   HIS   4           HA       HIS   4 -11.893 -17.520 -10.493
   34    HB2  HIS   4           1HB      HIS   4 -11.055 -16.951 -12.716
   35    HB3  HIS   4           2HB      HIS   4 -10.164 -15.585 -12.053
   36    HD1  HIS   4           HD1      HIS   4 -10.278 -19.348 -11.389
   37    HD2  HIS   4           HD2      HIS   4  -7.566 -16.205 -11.712
   38    HE1  HIS   4           HE1      HIS   4  -8.002 -20.366 -11.018
   39    HE2  HIS   4           HE2      HIS   4  -6.368 -18.472 -11.351
   40    H    GLN   5           H        GLN   5 -10.978 -14.178  -9.906
   41    HA   GLN   5           HA       GLN   5  -9.794 -15.016  -7.367
   42    HB2  GLN   5           1HB      GLN   5  -8.042 -13.225  -7.733
   43    HB3  GLN   5           2HB      GLN   5  -7.870 -14.727  -8.622
   44    HG2  GLN   5           1HG      GLN   5  -9.149 -13.437 -10.484
   45    HG3  GLN   5           2HG      GLN   5  -8.560 -12.019  -9.610
   46   HE21  GLN   5          1HE2      GLN   5  -6.575 -11.356 -10.011
   47   HE22  GLN   5          2HE2      GLN   5  -5.368 -12.274 -10.830
   48    H    PHE   6           H        PHE   6  -9.335 -13.044  -5.975
   49    HA   PHE   6           HA       PHE   6 -11.782 -11.932  -5.298
   50    HB2  PHE   6           1HB      PHE   6  -9.190 -10.655  -4.474
   51    HB3  PHE   6           2HB      PHE   6 -10.680 -10.820  -3.552
   52    HD1  PHE   6           HD2      PHE   6  -7.751 -12.619  -4.860
   53    HD2  PHE   6           HD1      PHE   6 -11.077 -12.717  -2.209
   54    HE1  PHE   6           HE2      PHE   6  -6.825 -14.635  -3.777
   55    HE2  PHE   6           HE1      PHE   6 -10.160 -14.727  -1.116
   56    HZ   PHE   6           HZ       PHE   6  -8.030 -15.688  -1.904
   57    H    ASP   7           H        ASP   7  -9.416 -10.817  -7.491
   58    HA   ASP   7           HA       ASP   7  -9.413  -9.072  -8.976
   59    HB2  ASP   7           1HB      ASP   7 -11.924  -8.354  -7.544
   60    HB3  ASP   7           2HB      ASP   7 -11.081  -7.096  -8.442
   61    H    LEU   8           H        LEU   8  -7.428  -8.831  -7.964
   62    HA   LEU   8           HA       LEU   8  -7.234  -6.488  -6.194
   63    HB2  LEU   8           1HB      LEU   8  -5.157  -8.632  -6.309
   64    HB3  LEU   8           2HB      LEU   8  -5.551  -7.537  -4.992
   65    HG   LEU   8           HG       LEU   8  -7.856  -9.039  -5.383
   66   HD11  LEU   8          1HD1      LEU   8  -6.221 -11.261  -4.853
   67   HD12  LEU   8          2HD1      LEU   8  -7.312 -11.000  -6.217
   68   HD13  LEU   8          3HD1      LEU   8  -5.620 -10.516  -6.335
   69   HD21  LEU   8          3HD2      LEU   8  -6.915  -8.169  -3.302
   70   HD22  LEU   8          1HD2      LEU   8  -7.408  -9.860  -3.189
   71   HD23  LEU   8          2HD2      LEU   8  -5.700  -9.446  -3.343
   72    H    ILE   9           H        ILE   9  -7.367  -5.725  -8.584
   73    HA   ILE   9           HA       ILE   9  -5.095  -6.230 -10.226
   74    HB   ILE   9           HB       ILE   9  -7.391  -4.294 -10.638
   75   HG12  ILE   9          1HG1      ILE   9  -8.105  -5.973 -12.346
   76   HG13  ILE   9          2HG1      ILE   9  -6.815  -7.036 -11.799
   77   HG21  ILE   9          1HG2      ILE   9  -6.661  -3.943 -12.851
   78   HG22  ILE   9          2HG2      ILE   9  -5.231  -3.728 -11.840
   79   HG23  ILE   9          3HG2      ILE   9  -5.457  -5.228 -12.742
   80   HD11  ILE   9          3HD1      ILE   9  -8.922  -7.729 -10.863
   81   HD12  ILE   9          1HD1      ILE   9  -7.863  -7.131  -9.580
   82   HD13  ILE   9          2HD1      ILE   9  -9.184  -6.119 -10.183
   83    H    MET  10           H        MET  10  -3.809  -5.516  -8.340
   84    HA   MET  10           HA       MET  10  -3.398  -2.648  -8.186
   85    HB2  MET  10           1HB      MET  10  -1.528  -3.444  -6.541
   86    HB3  MET  10           2HB      MET  10  -3.214  -3.471  -6.052
   87    HG2  MET  10           1HG      MET  10  -3.332  -5.849  -6.518
   88    HG3  MET  10           2HG      MET  10  -1.659  -5.834  -7.074
   89    HE1  MET  10           3HE      MET  10  -3.256  -5.122  -2.907
   90    HE2  MET  10           1HE      MET  10  -2.398  -3.704  -3.512
   91    HE3  MET  10           2HE      MET  10  -3.763  -4.362  -4.415
   92    H    CYS  11           H        CYS  11  -1.512  -1.628  -8.616
   93    HA   CYS  11           HA       CYS  11  -0.442  -1.931 -11.046
   94    HB2  CYS  11           1HB      CYS  11  -0.108   0.100  -9.975
   95    HB3  CYS  11           2HB      CYS  11   0.580  -0.650  -8.544
   96    H    LEU  12           H        LEU  12   1.045  -3.198  -8.090
   97    HA   LEU  12           HA       LEU  12   2.786  -4.567  -7.697
   98    HB2  LEU  12           1HB      LEU  12   0.758  -5.786  -9.283
   99    HB3  LEU  12           2HB      LEU  12   2.307  -6.547  -9.613
  100    HG   LEU  12           HG       LEU  12   2.621  -7.068  -7.297
  101   HD11  LEU  12          1HD1      LEU  12   1.006  -4.893  -6.795
  102   HD12  LEU  12          2HD1      LEU  12   0.037  -6.276  -6.280
  103   HD13  LEU  12          3HD1      LEU  12   1.647  -6.028  -5.605
  104   HD21  LEU  12          3HD2      LEU  12   0.893  -8.652  -6.972
  105   HD22  LEU  12          1HD2      LEU  12  -0.222  -7.724  -7.978
  106   HD23  LEU  12          2HD2      LEU  12   1.171  -8.523  -8.709
  107    H    LYS  13           H        LYS  13   3.756  -2.547  -9.406
  108    HA   LYS  13           HA       LYS  13   5.586  -3.859 -11.239
  109    HB2  LYS  13           1HB      LYS  13   5.372  -1.051 -10.185
  110    HB3  LYS  13           2HB      LYS  13   6.696  -1.580 -11.208
  111    HG2  LYS  13           1HG      LYS  13   4.949  -2.271 -12.881
  112    HG3  LYS  13           2HG      LYS  13   3.797  -1.368 -11.894
  113    HD2  LYS  13           1HD      LYS  13   5.302   0.598 -12.065
  114    HD3  LYS  13           2HD      LYS  13   6.259  -0.317 -13.237
  115    HE2  LYS  13           1HE      LYS  13   3.342   0.317 -13.466
  116    HE3  LYS  13           2HE      LYS  13   4.641   1.147 -14.285
  117    HZ1  LYS  13           3HZ      LYS  13   4.911  -1.590 -14.781
  118    HZ2  LYS  13           1HZ      LYS  13   4.589  -0.356 -15.895
  119    HZ3  LYS  13           2HZ      LYS  13   3.309  -1.154 -15.121
  120    H    GLN  14           H        GLN  14   7.905  -2.505 -10.629
  121    HA   GLN  14           HA       GLN  14   8.821  -3.942  -8.261
  122    HB2  GLN  14           1HB      GLN  14  10.203  -4.027 -10.281
  123    HB3  GLN  14           2HB      GLN  14  10.309  -2.273 -10.298
  124    HG2  GLN  14           1HG      GLN  14  12.338  -3.260  -9.440
  125    HG3  GLN  14           2HG      GLN  14  11.520  -2.312  -8.201
  126   HE21  GLN  14          1HE2      GLN  14  11.670  -3.225  -6.296
  127   HE22  GLN  14          2HE2      GLN  14  11.616  -4.920  -5.960
  128    HA   PRO  15           HA       PRO  15   7.839  -0.148  -6.089
  129    HB2  PRO  15           1HB      PRO  15   8.376  -1.087  -3.589
  130    HB3  PRO  15           2HB      PRO  15   6.865  -1.394  -4.451
  131    HG2  PRO  15           1HG      PRO  15   9.245  -3.166  -4.111
  132    HG3  PRO  15           2HG      PRO  15   7.522  -3.580  -4.079
  133    HD2  PRO  15           1HD      PRO  15   9.112  -4.028  -6.233
  134    HD3  PRO  15           2HD      PRO  15   7.376  -3.678  -6.369
  135    H    GLY  16           H        GLY  16   8.970   1.549  -5.305
  136    HA2  GLY  16           2HA      GLY  16  11.863   1.405  -5.432
  137    HA3  GLY  16           1HA      GLY  16  10.892   2.855  -5.214
  138    H    VAL  17           H        VAL  17  10.559   3.638  -3.206
  139    HA   VAL  17           HA       VAL  17  11.256   1.990  -0.902
  140    HB   VAL  17           HB       VAL  17  13.366   3.053  -1.528
  141   HG11  VAL  17          1HG1      VAL  17  11.705   5.522  -1.533
  142   HG12  VAL  17          2HG1      VAL  17  13.400   5.639  -1.057
  143   HG13  VAL  17          3HG1      VAL  17  12.971   5.008  -2.647
  144   HG21  VAL  17          3HG2      VAL  17  12.007   3.667   1.019
  145   HG22  VAL  17          1HG2      VAL  17  13.508   2.792   0.711
  146   HG23  VAL  17          2HG2      VAL  17  13.494   4.556   0.690
  147    H    GLN  18           H        GLN  18   9.809   4.903  -2.224
  148    HA   GLN  18           HA       GLN  18   8.935   6.115   0.121
  149    HB2  GLN  18           1HB      GLN  18   7.595   6.113  -2.592
  150    HB3  GLN  18           2HB      GLN  18   7.210   7.213  -1.275
  151    HG2  GLN  18           1HG      GLN  18   9.594   7.970  -1.333
  152    HG3  GLN  18           2HG      GLN  18   9.786   7.021  -2.806
  153   HE21  GLN  18          1HE2      GLN  18   9.521   8.092  -4.622
  154   HE22  GLN  18          2HE2      GLN  18   8.573   9.534  -4.821
  155    H    THR  19           H        THR  19   7.352   5.790   1.527
  156    HA   THR  19           HA       THR  19   5.960   3.271   1.424
  157    HB   THR  19           HB       THR  19   5.658   5.393   3.545
  158    HG1  THR  19           HG1      THR  19   7.924   4.323   2.805
  159   HG21  THR  19          1HG2      THR  19   5.691   3.013   4.812
  160   HG22  THR  19          2HG2      THR  19   4.994   2.530   3.265
  161   HG23  THR  19          3HG2      THR  19   4.219   3.787   4.228
  162    H    GLY  20           H        GLY  20   3.810   2.892   1.198
  163    HA2  GLY  20           2HA      GLY  20   2.230   4.926  -0.102
  164    HA3  GLY  20           1HA      GLY  20   1.745   3.267   0.212
  165    H    LEU  21           H        LEU  21   0.636   6.140   0.697
  166    HA   LEU  21           HA       LEU  21   0.135   5.993   3.565
  167    HB2  LEU  21           1HB      LEU  21  -0.537   8.121   1.538
  168    HB3  LEU  21           2HB      LEU  21  -0.870   8.234   3.254
  169    HG   LEU  21           HG       LEU  21   1.872   8.056   2.004
  170   HD11  LEU  21          1HD1      LEU  21   0.554  10.358   3.424
  171   HD12  LEU  21          2HD1      LEU  21   2.125  10.350   2.625
  172   HD13  LEU  21          3HD1      LEU  21   0.649  10.201   1.670
  173   HD21  LEU  21          3HD2      LEU  21   0.982   8.307   4.873
  174   HD22  LEU  21          1HD2      LEU  21   1.905   6.990   4.148
  175   HD23  LEU  21          2HD2      LEU  21   2.632   8.587   4.315
  176    H    LEU  22           H        LEU  22  -1.935   6.049   4.468
  177    HA   LEU  22           HA       LEU  22  -4.149   5.229   2.696
  178    HB2  LEU  22           1HB      LEU  22  -3.644   4.469   5.577
  179    HB3  LEU  22           2HB      LEU  22  -5.093   4.066   4.678
  180    HG   LEU  22           HG       LEU  22  -2.316   3.100   4.066
  181   HD11  LEU  22          1HD1      LEU  22  -4.680   1.521   5.049
  182   HD12  LEU  22          2HD1      LEU  22  -3.003   0.991   4.908
  183   HD13  LEU  22          3HD1      LEU  22  -3.451   2.186   6.127
  184   HD21  LEU  22          3HD2      LEU  22  -4.383   1.608   2.806
  185   HD22  LEU  22          1HD2      LEU  22  -4.595   3.315   2.417
  186   HD23  LEU  22          2HD2      LEU  22  -3.063   2.517   2.064
  187    H    CYS  23           H        CYS  23  -6.093   6.216   2.989
  188    HA   CYS  23           HA       CYS  23  -6.193   8.617   4.608
  189    HB2  CYS  23           1HB      CYS  23  -8.209   9.132   3.528
  190    HB3  CYS  23           2HB      CYS  23  -7.294   8.303   2.275
  191    H    GLU  24           H        GLU  24  -7.811   8.873   6.278
  192    HA   GLU  24           HA       GLU  24  -7.734   6.894   8.185
  193    HB2  GLU  24           1HB      GLU  24  -9.812   9.061   7.884
  194    HB3  GLU  24           2HB      GLU  24  -9.490   8.154   9.356
  195    HG2  GLU  24           1HG      GLU  24  -7.224   9.057   9.419
  196    HG3  GLU  24           2HG      GLU  24  -7.549   9.966   7.943
  197    H    LYS  25           H        LYS  25 -10.094   7.358   5.647
  198    HA   LYS  25           HA       LYS  25 -12.153   5.734   6.645
  199    HB2  LYS  25           1HB      LYS  25 -11.438   6.226   3.751
  200    HB3  LYS  25           2HB      LYS  25 -12.993   5.682   4.361
  201    HG2  LYS  25           1HG      LYS  25 -11.723   8.352   4.923
  202    HG3  LYS  25           2HG      LYS  25 -13.027   8.044   3.776
  203    HD2  LYS  25           1HD      LYS  25 -14.358   7.146   5.727
  204    HD3  LYS  25           2HD      LYS  25 -13.098   7.802   6.773
  205    HE2  LYS  25           1HE      LYS  25 -14.931   9.372   6.603
  206    HE3  LYS  25           2HE      LYS  25 -13.496  10.031   5.813
  207    HZ1  LYS  25           3HZ      LYS  25 -15.860  10.065   4.671
  208    HZ2  LYS  25           1HZ      LYS  25 -15.370   8.526   4.153
  209    HZ3  LYS  25           2HZ      LYS  25 -14.437   9.889   3.771
  210    H    CYS  26           H        CYS  26  -9.377   4.892   4.571
  211    HA   CYS  26           HA       CYS  26 -10.265   2.119   4.458
  212    HB2  CYS  26           1HB      CYS  26  -7.771   3.338   3.258
  213    HB3  CYS  26           2HB      CYS  26  -8.456   1.759   2.891
  214    H    ASP  27           H        ASP  27  -8.265   4.126   6.315
  215    HA   ASP  27           HA       ASP  27  -6.121   2.537   6.979
  216    HB2  ASP  27           1HB      ASP  27  -6.234   4.819   7.758
  217    HB3  ASP  27           2HB      ASP  27  -7.644   4.456   8.748
  218    H    GLY  28           H        GLY  28  -6.183   0.533   7.483
  219    HA2  GLY  28           2HA      GLY  28  -6.750  -0.779   9.700
  220    HA3  GLY  28           1HA      GLY  28  -8.377  -0.554   9.064
  221    H    LYS  29           H        LYS  29  -7.602  -0.725   6.304
  222    HA   LYS  29           HA       LYS  29  -7.542  -3.623   6.112
  223    HB2  LYS  29           1HB      LYS  29  -7.839  -1.534   3.947
  224    HB3  LYS  29           2HB      LYS  29  -8.086  -3.258   3.756
  225    HG2  LYS  29           1HG      LYS  29  -9.999  -3.214   5.176
  226    HG3  LYS  29           2HG      LYS  29  -9.719  -1.510   5.554
  227    HD2  LYS  29           1HD      LYS  29 -10.110  -0.889   3.261
  228    HD3  LYS  29           2HD      LYS  29 -10.242  -2.585   2.786
  229    HE2  LYS  29           1HE      LYS  29 -12.024  -1.427   4.869
  230    HE3  LYS  29           2HE      LYS  29 -12.394  -1.205   3.162
  231    HZ1  LYS  29           3HZ      LYS  29 -11.793  -3.918   3.663
  232    HZ2  LYS  29           1HZ      LYS  29 -13.241  -3.239   3.102
  233    HZ3  LYS  29           2HZ      LYS  29 -12.977  -3.398   4.767
  234    H    CYS  30           H        CYS  30  -5.820  -4.778   5.577
  235    HA   CYS  30           HA       CYS  30  -3.321  -3.611   4.733
  236    HB2  CYS  30           1HB      CYS  30  -3.097  -5.625   5.944
  237    HB3  CYS  30           2HB      CYS  30  -4.391  -6.409   5.049
  238    HA   PRO  31           HA       PRO  31  -4.863  -2.740   0.678
  239    HB2  PRO  31           1HB      PRO  31  -1.953  -2.976   0.023
  240    HB3  PRO  31           2HB      PRO  31  -3.107  -1.716  -0.430
  241    HG2  PRO  31           1HG      PRO  31  -1.375  -1.307   1.543
  242    HG3  PRO  31           2HG      PRO  31  -3.044  -0.718   1.666
  243    HD2  PRO  31           1HD      PRO  31  -1.737  -3.010   3.038
  244    HD3  PRO  31           2HD      PRO  31  -3.063  -1.968   3.588
  245    H    ILE  32           H        ILE  32  -2.406  -5.273   0.972
  246    HA   ILE  32           HA       ILE  32  -2.712  -6.361  -1.573
  247    HB   ILE  32           HB       ILE  32  -1.828  -7.793   0.931
  248   HG12  ILE  32          1HG1      ILE  32  -0.607  -5.635   0.249
  249   HG13  ILE  32          2HG1      ILE  32   0.371  -7.078   0.492
  250   HG21  ILE  32          1HG2      ILE  32  -0.501  -8.709  -1.397
  251   HG22  ILE  32          2HG2      ILE  32  -1.591  -9.599  -0.333
  252   HG23  ILE  32          3HG2      ILE  32  -2.234  -8.722  -1.722
  253   HD11  ILE  32          3HD1      ILE  32   0.965  -7.207  -1.675
  254   HD12  ILE  32          1HD1      ILE  32  -0.581  -6.584  -2.256
  255   HD13  ILE  32          2HD1      ILE  32   0.635  -5.474  -1.617
  256    H    CYS  33           H        CYS  33  -4.368  -7.224   1.446
  257    HA   CYS  33           HA       CYS  33  -5.916  -9.202  -0.085
  258    HB2  CYS  33           1HB      CYS  33  -6.087 -10.496   1.984
  259    HB3  CYS  33           2HB      CYS  33  -4.404 -10.198   1.557
  260    H    ASP  34           H        ASP  34  -6.141  -6.413   1.874
  261    HA   ASP  34           HA       ASP  34  -7.864  -5.150   2.631
  262    HB2  ASP  34           1HB      ASP  34  -8.885  -5.775   0.356
  263    HB3  ASP  34           2HB      ASP  34  -9.825  -6.971   1.243
  264    H    SER  35           H        SER  35  -7.175  -6.080   4.645
  265    HA   SER  35           HA       SER  35  -9.321  -7.312   6.104
  266    HB2  SER  35           1HB      SER  35  -8.259  -9.282   5.043
  267    HB3  SER  35           2HB      SER  35  -6.713  -8.819   5.748
  268    HG   SER  35           HG       SER  35  -8.988  -9.237   7.371
  269    H    TYR  36           H        TYR  36  -9.063  -7.105   8.341
  270    HA   TYR  36           HA       TYR  36  -7.103  -5.093   9.110
  271    HB2  TYR  36           1HB      TYR  36  -9.504  -6.239  10.548
  272    HB3  TYR  36           2HB      TYR  36  -8.429  -5.041  11.255
  273    HD1  TYR  36           HD2      TYR  36 -10.204  -5.445   7.973
  274    HD2  TYR  36           HD1      TYR  36  -9.313  -2.927  11.285
  275    HE1  TYR  36           HE2      TYR  36 -11.545  -3.651   6.963
  276    HE2  TYR  36           HE1      TYR  36 -10.654  -1.127  10.283
  277    HH   TYR  36           HH       TYR  36 -11.724  -0.431   8.433
  278    H    VAL  37           H        VAL  37  -6.435  -7.975   8.669
  279    HA   VAL  37           HA       VAL  37  -5.729  -9.112  11.193
  280    HB   VAL  37           HB       VAL  37  -6.008 -10.621   9.374
  281   HG11  VAL  37          1HG1      VAL  37  -5.719  -9.300   7.472
  282   HG12  VAL  37          2HG1      VAL  37  -4.074  -8.852   7.929
  283   HG13  VAL  37          3HG1      VAL  37  -4.425 -10.495   7.393
  284   HG21  VAL  37          3HG2      VAL  37  -4.191 -11.969   9.654
  285   HG22  VAL  37          1HG2      VAL  37  -3.041 -10.650   9.434
  286   HG23  VAL  37          2HG2      VAL  37  -3.899 -10.825  10.965
  287    H    ARG  38           H        ARG  38  -3.687  -9.237  12.134
  288    HA   ARG  38           HA       ARG  38  -2.421  -6.987  12.710
  289    HB2  ARG  38           1HB      ARG  38  -0.819  -9.517  12.399
  290    HB3  ARG  38           2HB      ARG  38  -0.553  -8.209  13.538
  291    HG2  ARG  38           1HG      ARG  38  -2.618  -8.786  14.695
  292    HG3  ARG  38           2HG      ARG  38  -2.895 -10.093  13.540
  293    HD2  ARG  38           1HD      ARG  38  -0.640 -11.006  14.241
  294    HD3  ARG  38           2HD      ARG  38  -0.679  -9.842  15.564
  295    HE   ARG  38           HE       ARG  38  -2.093 -12.314  15.396
  296   HH11  ARG  38          2HH1      ARG  38  -2.176  -9.103  16.796
  297   HH12  ARG  38          1HH1      ARG  38  -3.340  -9.529  18.019
  298   HH21  ARG  38          2HH2      ARG  38  -3.610 -12.885  17.003
  299   HH22  ARG  38          1HH2      ARG  38  -4.181 -11.675  18.119
  300    HA   PRO  39           HA       PRO  39  -0.118  -5.864   8.979
  301    HB2  PRO  39           1HB      PRO  39   0.210  -3.285   9.644
  302    HB3  PRO  39           2HB      PRO  39  -1.322  -3.897   9.014
  303    HG2  PRO  39           1HG      PRO  39  -0.553  -3.210  11.806
  304    HG3  PRO  39           2HG      PRO  39  -2.113  -3.019  10.989
  305    HD2  PRO  39           1HD      PRO  39  -1.431  -5.079  12.740
  306    HD3  PRO  39           2HD      PRO  39  -2.792  -5.094  11.605
  307    H    LYS  40           H        LYS  40   2.098  -5.561   8.620
  308    HA   LYS  40           HA       LYS  40   3.781  -5.298  11.016
  309    HB2  LYS  40           1HB      LYS  40   3.839  -7.527   8.995
  310    HB3  LYS  40           2HB      LYS  40   5.187  -7.199  10.069
  311    HG2  LYS  40           1HG      LYS  40   3.514  -7.420  11.973
  312    HG3  LYS  40           2HG      LYS  40   2.422  -8.111  10.771
  313    HD2  LYS  40           1HD      LYS  40   4.053  -9.848  10.270
  314    HD3  LYS  40           2HD      LYS  40   5.178  -9.142  11.432
  315    HE2  LYS  40           1HE      LYS  40   2.480 -10.346  12.030
  316    HE3  LYS  40           2HE      LYS  40   4.053 -11.033  12.428
  317    HZ1  LYS  40           3HZ      LYS  40   4.440  -9.032  13.829
  318    HZ2  LYS  40           1HZ      LYS  40   3.176 -10.024  14.371
  319    HZ3  LYS  40           2HZ      LYS  40   2.829  -8.575  13.559
  320    H    ARG  41           H        ARG  41   4.005  -5.574   7.439
  321    HA   ARG  41           HA       ARG  41   6.489  -4.027   7.581
  322    HB2  ARG  41           1HB      ARG  41   5.274  -5.705   5.393
  323    HB3  ARG  41           2HB      ARG  41   6.713  -4.721   5.162
  324    HG2  ARG  41           1HG      ARG  41   7.876  -5.984   6.875
  325    HG3  ARG  41           2HG      ARG  41   6.424  -6.949   7.161
  326    HD2  ARG  41           1HD      ARG  41   6.509  -7.740   4.845
  327    HD3  ARG  41           2HD      ARG  41   7.976  -6.797   4.582
  328    HE   ARG  41           HE       ARG  41   8.500  -8.417   6.748
  329   HH11  ARG  41          2HH1      ARG  41   7.649  -8.842   3.371
  330   HH12  ARG  41          1HH1      ARG  41   8.364 -10.425   3.271
  331   HH21  ARG  41          2HH2      ARG  41   9.531 -10.444   6.574
  332   HH22  ARG  41          1HH2      ARG  41   9.473 -11.308   5.063
  333    H    LYS  42           H        LYS  42   6.812  -2.081   6.637
  334    HA   LYS  42           HA       LYS  42   4.584  -0.452   5.920
  335    HB2  LYS  42           1HB      LYS  42   7.560  -0.093   5.654
  336    HB3  LYS  42           2HB      LYS  42   6.425   1.100   5.037
  337    HG2  LYS  42           1HG      LYS  42   5.468   1.232   7.357
  338    HG3  LYS  42           2HG      LYS  42   6.835   0.249   7.888
  339    HD2  LYS  42           1HD      LYS  42   8.394   1.916   7.195
  340    HD3  LYS  42           2HD      LYS  42   7.128   2.848   6.393
  341    HE2  LYS  42           1HE      LYS  42   6.051   3.186   8.605
  342    HE3  LYS  42           2HE      LYS  42   7.420   2.365   9.357
  343    HZ1  LYS  42           3HZ      LYS  42   7.543   4.837   9.361
  344    HZ2  LYS  42           1HZ      LYS  42   7.693   4.796   7.671
  345    HZ3  LYS  42           2HZ      LYS  42   8.879   4.077   8.654
  346    H    VAL  43           H        VAL  43   3.661  -0.063   4.074
  347    HA   VAL  43           HA       VAL  43   4.194  -1.721   1.820
  348    HB   VAL  43           HB       VAL  43   2.235   0.477   2.413
  349   HG11  VAL  43          1HG1      VAL  43   1.239   0.235   0.263
  350   HG12  VAL  43          2HG1      VAL  43   2.940   0.645   0.045
  351   HG13  VAL  43          3HG1      VAL  43   2.398  -1.017  -0.185
  352   HG21  VAL  43          3HG2      VAL  43   0.629  -1.411   1.988
  353   HG22  VAL  43          1HG2      VAL  43   2.028  -2.482   1.899
  354   HG23  VAL  43          2HG2      VAL  43   1.675  -1.614   3.393
  355    H    ARG  44           H        ARG  44   5.491  -1.334   0.137
  356    HA   ARG  44           HA       ARG  44   6.645   1.349  -0.157
  357    HB2  ARG  44           1HB      ARG  44   7.498  -1.327  -1.271
  358    HB3  ARG  44           2HB      ARG  44   8.226   0.192  -1.763
  359    HG2  ARG  44           1HG      ARG  44   9.689  -0.606  -0.163
  360    HG3  ARG  44           2HG      ARG  44   8.697   0.538   0.742
  361    HD2  ARG  44           1HD      ARG  44   8.969  -1.452   2.053
  362    HD3  ARG  44           2HD      ARG  44   7.295  -1.361   1.505
  363    HE   ARG  44           HE       ARG  44   8.780  -2.894  -0.330
  364   HH11  ARG  44          2HH1      ARG  44   7.522  -3.068   2.930
  365   HH12  ARG  44          1HH1      ARG  44   7.475  -4.802   2.948
  366   HH21  ARG  44          2HH2      ARG  44   8.694  -5.169  -0.316
  367   HH22  ARG  44          1HH2      ARG  44   8.114  -6.002   1.104
  368    H    VAL  45           H        VAL  45   6.355   2.588  -1.936
  369    HA   VAL  45           HA       VAL  45   4.428   1.644  -3.932
  370    HB   VAL  45           HB       VAL  45   4.044   3.847  -4.586
  371   HG11  VAL  45          1HG1      VAL  45   3.381   3.347  -2.188
  372   HG12  VAL  45          2HG1      VAL  45   4.746   4.357  -1.710
  373   HG13  VAL  45          3HG1      VAL  45   3.432   5.044  -2.665
  374   HG21  VAL  45          3HG2      VAL  45   6.184   5.230  -3.120
  375   HG22  VAL  45          1HG2      VAL  45   6.726   4.232  -4.468
  376   HG23  VAL  45          2HG2      VAL  45   5.544   5.513  -4.739
  377    H    CYS  46           H        CYS  46   4.951   1.721  -6.179
  378    HA   CYS  46           HA       CYS  46   7.799   1.457  -6.750
  379    HB2  CYS  46           1HB      CYS  46   7.239   0.574  -8.818
  380    HB3  CYS  46           2HB      CYS  46   5.857   0.057  -7.864
  381    H    GLU  47           H        GLU  47   8.903   2.970  -8.042
  382    HA   GLU  47           HA       GLU  47   8.307   5.605  -7.443
  383    HB2  GLU  47           1HB      GLU  47  10.509   4.443  -8.297
  384    HB3  GLU  47           2HB      GLU  47   9.955   5.013  -9.865
  385    HG2  GLU  47           1HG      GLU  47  11.405   6.670  -9.058
  386    HG3  GLU  47           2HG      GLU  47   9.779   7.310  -8.827
  387    H    ASN  48           H        ASN  48   7.156   3.686 -10.085
  388    HA   ASN  48           HA       ASN  48   6.365   5.800 -11.810
  389    HB2  ASN  48           1HB      ASN  48   5.613   2.908 -11.558
  390    HB3  ASN  48           2HB      ASN  48   4.688   3.968 -12.617
  391   HD21  ASN  48          1HD2      ASN  48   7.234   1.872 -12.513
  392   HD22  ASN  48          2HD2      ASN  48   8.089   2.412 -13.919
  393    H    CYS  49           H        CYS  49   5.124   4.624  -8.838
  394    HA   CYS  49           HA       CYS  49   2.625   6.143  -9.236
  395    HB2  CYS  49           1HB      CYS  49   3.212   3.959  -7.235
  396    HB3  CYS  49           2HB      CYS  49   1.708   4.866  -7.327
  397    H    SER  50           H        SER  50   5.098   7.413  -8.642
  398    HA   SER  50           HA       SER  50   4.369   8.617  -6.093
  399    HB2  SER  50           1HB      SER  50   6.682   8.463  -5.236
  400    HB3  SER  50           2HB      SER  50   5.979   6.868  -5.500
  401    HG   SER  50           HG       SER  50   8.176   7.159  -6.315
  402    H    PHE  51           H        PHE  51   6.739   8.724  -8.774
  403    HA   PHE  51           HA       PHE  51   7.246  11.497  -8.277
  404    HB2  PHE  51           1HB      PHE  51   8.704  11.374 -10.296
  405    HB3  PHE  51           2HB      PHE  51   9.086  10.197  -9.053
  406    HD1  PHE  51           HD1      PHE  51   6.276   9.742 -11.414
  407    HD2  PHE  51           HD2      PHE  51  10.313   8.765 -10.489
  408    HE1  PHE  51           HE1      PHE  51   6.231   7.965 -13.109
  409    HE2  PHE  51           HE2      PHE  51  10.272   6.983 -12.184
  410    HZ   PHE  51           HZ       PHE  51   8.229   6.582 -13.496
  411    H    GLY  52           H        GLY  52   4.516  11.199  -8.821
  412    HA2  GLY  52           2HA      GLY  52   4.104  13.329 -10.551
  413    HA3  GLY  52           1HA      GLY  52   3.878  11.872 -11.507
  414    H    LYS  53           H        LYS  53   2.614  10.174  -9.873
  415    HA   LYS  53           HA       LYS  53   0.269  11.631  -8.876
  416    HB2  LYS  53           1HB      LYS  53  -1.170   9.803  -9.882
  417    HB3  LYS  53           2HB      LYS  53  -0.472  10.946 -11.016
  418    HG2  LYS  53           1HG      LYS  53  -0.232   8.872 -12.051
  419    HG3  LYS  53           2HG      LYS  53   1.364   9.201 -11.375
  420    HD2  LYS  53           1HD      LYS  53   0.855   7.765  -9.464
  421    HD3  LYS  53           2HD      LYS  53  -0.752   7.453 -10.121
  422    HE2  LYS  53           1HE      LYS  53   1.823   6.767 -11.527
  423    HE3  LYS  53           2HE      LYS  53   0.892   5.635 -10.549
  424    HZ1  LYS  53           3HZ      LYS  53   0.404   6.602 -13.228
  425    HZ2  LYS  53           1HZ      LYS  53  -0.972   6.577 -12.236
  426    HZ3  LYS  53           2HZ      LYS  53  -0.085   5.158 -12.484
  427    H    GLN  54           H        GLN  54  -1.157  10.225  -7.536
  428    HA   GLN  54           HA       GLN  54  -1.470   8.983  -5.672
  429    HB2  GLN  54           1HB      GLN  54   0.774   7.216  -6.677
  430    HB3  GLN  54           2HB      GLN  54  -0.457   6.789  -5.494
  431    HG2  GLN  54           1HG      GLN  54  -1.035   7.465  -8.364
  432    HG3  GLN  54           2HG      GLN  54  -0.835   5.829  -7.738
  433   HE21  GLN  54          1HE2      GLN  54  -3.073   8.010  -8.625
  434   HE22  GLN  54          2HE2      GLN  54  -4.396   7.505  -7.628
  435    H    ALA  55           H        ALA  55   1.015   7.476  -4.538
  436    HA   ALA  55           HA       ALA  55   2.627   7.764  -2.996
  437    HB1  ALA  55           3HB      ALA  55   4.236   9.028  -3.831
  438    HB2  ALA  55           1HB      ALA  55   3.075   9.850  -4.873
  439    HB3  ALA  55           2HB      ALA  55   3.401  10.470  -3.256
  440    H    LYS  56           H        LYS  56   0.890  10.873  -3.163
  441    HA   LYS  56           HA       LYS  56   0.919  11.082  -0.272
  442    HB2  LYS  56           1HB      LYS  56  -0.427  12.865  -2.306
  443    HB3  LYS  56           2HB      LYS  56  -0.198  13.226  -0.602
  444    HG2  LYS  56           1HG      LYS  56   2.225  13.228  -0.927
  445    HG3  LYS  56           2HG      LYS  56   1.992  12.875  -2.640
  446    HD2  LYS  56           1HD      LYS  56   0.808  15.301  -1.308
  447    HD3  LYS  56           2HD      LYS  56   2.423  15.303  -2.015
  448    HE2  LYS  56           1HE      LYS  56   1.030  16.162  -3.691
  449    HE3  LYS  56           2HE      LYS  56   1.320  14.488  -4.155
  450    HZ1  LYS  56           3HZ      LYS  56  -1.084  15.267  -2.614
  451    HZ2  LYS  56           1HZ      LYS  56  -0.829  13.871  -3.546
  452    HZ3  LYS  56           2HZ      LYS  56  -1.045  15.370  -4.306
  453    H    ASN  57           H        ASN  57  -1.525  10.722  -2.834
  454    HA   ASN  57           HA       ASN  57  -3.667  10.628  -1.005
  455    HB2  ASN  57           1HB      ASN  57  -5.073   9.827  -2.851
  456    HB3  ASN  57           2HB      ASN  57  -4.139  11.232  -3.302
  457   HD21  ASN  57          1HD2      ASN  57  -2.972   7.889  -3.232
  458   HD22  ASN  57          2HD2      ASN  57  -2.750   7.755  -4.941
  459    H    CYS  58           H        CYS  58  -4.954   8.950  -0.375
  460    HA   CYS  58           HA       CYS  58  -3.684   6.751   0.713
  461    HB2  CYS  58           1HB      CYS  58  -5.733   7.520   1.593
  462    HB3  CYS  58           2HB      CYS  58  -6.543   7.365   0.042
  463    H    ILE  59           H        ILE  59  -2.953   4.970  -0.118
  464    HA   ILE  59           HA       ILE  59  -3.038   4.489  -2.866
  465    HB   ILE  59           HB       ILE  59  -1.732   2.479  -2.391
  466   HG12  ILE  59          1HG1      ILE  59  -2.335   3.109   0.514
  467   HG13  ILE  59          2HG1      ILE  59  -2.921   1.709  -0.378
  468   HG21  ILE  59          1HG2      ILE  59  -0.961   4.995  -2.142
  469   HG22  ILE  59          2HG2      ILE  59  -0.675   4.492  -0.476
  470   HG23  ILE  59          3HG2      ILE  59   0.135   3.655  -1.802
  471   HD11  ILE  59          3HD1      ILE  59  -1.173   0.700   0.605
  472   HD12  ILE  59          1HD1      ILE  59  -0.266   1.413  -0.729
  473   HD13  ILE  59          2HD1      ILE  59  -0.293   2.217   0.858
  474    H    ILE  60           H        ILE  60  -5.110   3.330  -0.356
  475    HA   ILE  60           HA       ILE  60  -5.992   1.010  -1.783
  476    HB   ILE  60           HB       ILE  60  -7.036   2.357   0.698
  477   HG12  ILE  60          1HG1      ILE  60  -5.592  -0.246   0.166
  478   HG13  ILE  60          2HG1      ILE  60  -4.932   1.176   0.965
  479   HG21  ILE  60          1HG2      ILE  60  -8.196  -0.100   0.708
  480   HG22  ILE  60          2HG2      ILE  60  -9.008   1.392   0.228
  481   HG23  ILE  60          3HG2      ILE  60  -8.310   0.334  -0.998
  482   HD11  ILE  60          3HD1      ILE  60  -6.054   0.767   2.917
  483   HD12  ILE  60          1HD1      ILE  60  -7.340  -0.136   2.117
  484   HD13  ILE  60          2HD1      ILE  60  -5.756  -0.877   2.350
  485    H    CYS  61           H        CYS  61  -7.533   4.206  -1.123
  486    HA   CYS  61           HA       CYS  61  -9.563   3.445  -3.078
  487    HB2  CYS  61           1HB      CYS  61 -10.787   5.497  -2.403
  488    HB3  CYS  61           2HB      CYS  61 -10.553   4.347  -1.089
  489    H    ASN  62           H        ASN  62  -6.644   5.028  -2.981
  490    HA   ASN  62           HA       ASN  62  -5.538   6.492  -4.304
  491    HB2  ASN  62           1HB      ASN  62  -5.762   6.033  -6.758
  492    HB3  ASN  62           2HB      ASN  62  -5.421   4.621  -5.768
  493   HD21  ASN  62          1HD2      ASN  62  -7.621   6.145  -7.916
  494   HD22  ASN  62          2HD2      ASN  62  -8.751   4.843  -8.039
  495    H    LEU  63           H        LEU  63  -7.515   7.841  -3.158
  496    HA   LEU  63           HA       LEU  63  -8.164   9.833  -5.165
  497    HB2  LEU  63           1HB      LEU  63  -9.994   7.843  -4.554
  498    HB3  LEU  63           2HB      LEU  63 -10.503   9.178  -3.542
  499    HG   LEU  63           HG       LEU  63 -11.760   9.379  -5.517
  500   HD11  LEU  63          1HD1      LEU  63 -10.666  11.395  -6.691
  501   HD12  LEU  63          2HD1      LEU  63 -11.092  11.536  -4.985
  502   HD13  LEU  63          3HD1      LEU  63  -9.417  11.239  -5.454
  503   HD21  LEU  63          3HD2      LEU  63  -9.236   9.127  -7.134
  504   HD22  LEU  63          1HD2      LEU  63 -10.337   7.789  -6.799
  505   HD23  LEU  63          2HD2      LEU  63 -10.897   9.182  -7.728
  506    H    ASN  64           H        ASN  64  -9.128   8.880  -1.890
  507    HA   ASN  64           HA       ASN  64  -9.090  11.536  -0.872
  508    HB2  ASN  64           1HB      ASN  64  -9.201   8.829   0.458
  509    HB3  ASN  64           2HB      ASN  64  -9.235  10.337   1.364
  510   HD21  ASN  64          1HD2      ASN  64 -11.114   7.987   0.155
  511   HD22  ASN  64          2HD2      ASN  64 -12.589   8.854  -0.081
  512    H    VAL  65           H        VAL  65  -7.566  12.583   0.347
  513    HA   VAL  65           HA       VAL  65  -4.859  12.004  -0.135
  514    HB   VAL  65           HB       VAL  65  -5.967  13.745   2.076
  515   HG11  VAL  65          1HG1      VAL  65  -3.316  13.849   0.634
  516   HG12  VAL  65          2HG1      VAL  65  -3.858  14.941   1.910
  517   HG13  VAL  65          3HG1      VAL  65  -3.569  13.239   2.268
  518   HG21  VAL  65          3HG2      VAL  65  -6.953  14.430  -0.009
  519   HG22  VAL  65          1HG2      VAL  65  -5.714  15.597   0.449
  520   HG23  VAL  65          2HG2      VAL  65  -5.379  14.403  -0.806
  521    H    GLY  66           H        GLY  66  -3.365  10.843   0.956
  522    HA2  GLY  66           2HA      GLY  66  -4.313   9.021   2.974
  523    HA3  GLY  66           1HA      GLY  66  -2.708   9.058   2.266
  524    H    VAL  67           H        VAL  67  -2.674   8.531   4.792
  525    HA   VAL  67           HA       VAL  67  -1.368  10.798   5.965
  526    HB   VAL  67           HB       VAL  67  -3.575  11.416   6.626
  527   HG11  VAL  67          1HG1      VAL  67  -4.076   8.841   8.041
  528   HG12  VAL  67          2HG1      VAL  67  -5.223  10.083   7.536
  529   HG13  VAL  67          3HG1      VAL  67  -4.482   9.024   6.335
  530   HG21  VAL  67          3HG2      VAL  67  -3.339  11.573   8.966
  531   HG22  VAL  67          1HG2      VAL  67  -2.425  10.066   9.041
  532   HG23  VAL  67          2HG2      VAL  67  -1.700  11.501   8.313
  533    H    ASN  68           H        ASN  68  -2.850   7.670   6.735
  534    HA   ASN  68           HA       ASN  68  -0.545   7.018   8.418
  535    HB2  ASN  68           1HB      ASN  68  -3.148   5.528   8.013
  536    HB3  ASN  68           2HB      ASN  68  -1.898   5.109   9.181
  537   HD21  ASN  68          1HD2      ASN  68  -4.813   6.418   8.964
  538   HD22  ASN  68          2HD2      ASN  68  -4.765   7.542  10.282
  539    H    ASP  69           H        ASP  69   1.073   5.841   7.655
  540    HA   ASP  69           HA       ASP  69   1.212   4.800   5.048
  541    HB2  ASP  69           1HB      ASP  69   2.806   3.872   7.461
  542    HB3  ASP  69           2HB      ASP  69   3.270   3.714   5.775
  543    H    ALA  70           H        ALA  70   0.708   2.938   4.160
  544    HA   ALA  70           HA       ALA  70  -0.972   1.086   5.554
  545    HB1  ALA  70           3HB      ALA  70  -1.560   0.397   3.514
  546    HB2  ALA  70           1HB      ALA  70  -0.629   1.775   2.926
  547    HB3  ALA  70           2HB      ALA  70   0.116   0.174   3.012
  548    H    PHE  71           H        PHE  71  -0.518  -0.983   6.198
  549    HA   PHE  71           HA       PHE  71   2.285  -1.841   5.990
  550    HB2  PHE  71           1HB      PHE  71   0.462  -1.831   8.371
  551    HB3  PHE  71           2HB      PHE  71   1.734  -3.038   8.247
  552    HD1  PHE  71           HD2      PHE  71   1.481   0.656   7.672
  553    HD2  PHE  71           HD1      PHE  71   3.558  -2.563   9.519
  554    HE1  PHE  71           HE2      PHE  71   3.071   2.253   8.657
  555    HE2  PHE  71           HE1      PHE  71   5.147  -0.971  10.514
  556    HZ   PHE  71           HZ       PHE  71   4.907   1.441  10.082
  557    H    TYR  72           H        TYR  72   2.561  -3.814   5.175
  558    HA   TYR  72           HA       TYR  72   0.366  -5.404   4.275
  559    HB2  TYR  72           1HB      TYR  72   3.234  -6.300   4.656
  560    HB3  TYR  72           2HB      TYR  72   2.017  -7.059   3.641
  561    HD1  TYR  72           HD2      TYR  72   1.301  -5.932   1.535
  562    HD2  TYR  72           HD1      TYR  72   4.536  -4.478   3.885
  563    HE1  TYR  72           HE2      TYR  72   2.112  -4.636  -0.392
  564    HE2  TYR  72           HE1      TYR  72   5.353  -3.184   1.965
  565    HH   TYR  72           HH       TYR  72   4.463  -3.704  -1.130
  566    H    CYS  73           H        CYS  73  -0.727  -6.925   5.358
  567    HA   CYS  73           HA       CYS  73  -0.334  -7.292   8.132
  568    HB2  CYS  73           1HB      CYS  73  -2.246  -8.659   8.087
  569    HB3  CYS  73           2HB      CYS  73  -2.517  -7.478   6.810
  570    H    TRP  74           H        TRP  74  -0.061  -9.372   9.196
  571    HA   TRP  74           HA       TRP  74   2.330 -10.626   8.631
  572    HB2  TRP  74           1HB      TRP  74   1.253 -10.720  10.823
  573    HB3  TRP  74           2HB      TRP  74  -0.043 -11.713  10.166
  574    HD1  TRP  74           HD1      TRP  74   3.804 -12.164   9.836
  575    HE1  TRP  74           HE1      TRP  74   4.390 -14.541  10.626
  576    HE3  TRP  74           HE3      TRP  74  -0.858 -13.691  11.275
  577    HZ2  TRP  74           HZ2      TRP  74   3.036 -16.773  11.720
  578    HZ3  TRP  74           HZ3      TRP  74  -1.128 -15.964  12.180
  579    HH2  TRP  74           HH2      TRP  74   0.780 -17.472  12.396
  580    H    GLU  75           H        GLU  75  -0.939 -11.598   7.670
  581    HA   GLU  75           HA       GLU  75  -0.314 -14.142   6.670
  582    HB2  GLU  75           1HB      GLU  75  -2.482 -12.232   5.776
  583    HB3  GLU  75           2HB      GLU  75  -2.414 -13.945   5.388
  584    HG2  GLU  75           1HG      GLU  75  -2.549 -12.885   8.196
  585    HG3  GLU  75           2HG      GLU  75  -3.965 -13.330   7.244
  586    H    CYS  76           H        CYS  76  -0.492 -11.003   5.002
  587    HA   CYS  76           HA       CYS  76   0.377 -12.011   2.478
  588    HB2  CYS  76           1HB      CYS  76   0.327  -9.211   3.615
  589    HB3  CYS  76           2HB      CYS  76   0.818  -9.583   1.964
  590    H    CYS  77           H        CYS  77   1.960 -10.787   5.331
  591    HA   CYS  77           HA       CYS  77   4.547 -10.380   4.303
  592    HB2  CYS  77           1HB      CYS  77   3.825  -9.546   6.492
  593    HB3  CYS  77           2HB      CYS  77   3.667 -11.194   7.083
  594    HG   CYS  77           HG       CYS  77   6.552 -11.586   6.528
  595    H    ARG  78           H        ARG  78   2.990 -13.215   5.737
  596    HA   ARG  78           HA       ARG  78   5.194 -14.951   5.713
  597    HB2  ARG  78           1HB      ARG  78   3.284 -15.550   6.998
  598    HB3  ARG  78           2HB      ARG  78   2.219 -15.420   5.607
  599    HG2  ARG  78           1HG      ARG  78   3.119 -17.410   4.643
  600    HG3  ARG  78           2HG      ARG  78   4.376 -17.498   5.881
  601    HD2  ARG  78           1HD      ARG  78   2.493 -19.058   6.288
  602    HD3  ARG  78           2HD      ARG  78   2.732 -17.899   7.595
  603    HE   ARG  78           HE       ARG  78   0.680 -16.981   7.145
  604   HH11  ARG  78          2HH1      ARG  78   1.544 -19.190   4.555
  605   HH12  ARG  78          1HH1      ARG  78  -0.001 -19.072   3.766
  606   HH21  ARG  78          2HH2      ARG  78  -1.337 -16.802   6.098
  607   HH22  ARG  78          1HH2      ARG  78  -1.640 -17.694   4.637
  608    H    LEU  79           H        LEU  79   2.644 -14.414   3.311
  609    HA   LEU  79           HA       LEU  79   3.647 -16.293   1.426
  610    HB2  LEU  79           1HB      LEU  79   1.888 -13.885   0.963
  611    HB3  LEU  79           2HB      LEU  79   2.124 -15.213  -0.155
  612    HG   LEU  79           HG       LEU  79   0.828 -15.439   2.563
  613   HD11  LEU  79          1HD1      LEU  79  -0.855 -14.462   1.414
  614   HD12  LEU  79          2HD1      LEU  79  -0.212 -14.943  -0.156
  615   HD13  LEU  79          3HD1      LEU  79  -1.091 -16.110   0.832
  616   HD21  LEU  79          3HD2      LEU  79   0.968 -17.650   2.373
  617   HD22  LEU  79          1HD2      LEU  79   0.356 -17.602   0.719
  618   HD23  LEU  79          2HD2      LEU  79   2.080 -17.400   1.026
  619    H    GLY  80           H        GLY  80   4.235 -12.922   2.067
  620    HA2  GLY  80           2HA      GLY  80   6.062 -11.638   1.394
  621    HA3  GLY  80           1HA      GLY  80   6.529 -12.918   0.281
  622    H    LYS  81           H        LYS  81   3.363 -11.389   0.570
  623    HA   LYS  81           HA       LYS  81   3.336 -10.840  -2.256
  624    HB2  LYS  81           1HB      LYS  81   1.343 -10.414  -0.043
  625    HB3  LYS  81           2HB      LYS  81   1.074  -9.794  -1.666
  626    HG2  LYS  81           1HG      LYS  81   1.383 -12.156  -2.497
  627    HG3  LYS  81           2HG      LYS  81   1.332 -12.663  -0.806
  628    HD2  LYS  81           1HD      LYS  81  -0.883 -11.793  -0.544
  629    HD3  LYS  81           2HD      LYS  81  -0.827 -11.033  -2.135
  630    HE2  LYS  81           1HE      LYS  81  -0.639 -13.299  -3.144
  631    HE3  LYS  81           2HE      LYS  81  -0.858 -13.989  -1.535
  632    HZ1  LYS  81           3HZ      LYS  81  -2.810 -12.264  -2.975
  633    HZ2  LYS  81           1HZ      LYS  81  -3.020 -12.881  -1.411
  634    HZ3  LYS  81           2HZ      LYS  81  -2.949 -13.937  -2.735
  635    H    ASP  82           H        ASP  82   4.545  -9.275   0.410
  636    HA   ASP  82           HA       ASP  82   4.082  -6.552  -0.404
  637    HB2  ASP  82           1HB      ASP  82   5.756  -5.954   1.245
  638    HB3  ASP  82           2HB      ASP  82   4.655  -7.133   1.942
  639    H    LYS  83           H        LYS  83   6.443  -9.054  -0.920
  640    HA   LYS  83           HA       LYS  83   8.241  -7.376  -2.446
  641    HB2  LYS  83           1HB      LYS  83   8.178 -10.392  -2.175
  642    HB3  LYS  83           2HB      LYS  83   9.513  -9.429  -2.790
  643    HG2  LYS  83           1HG      LYS  83  10.020  -8.571  -0.670
  644    HG3  LYS  83           2HG      LYS  83   8.471  -9.091   0.001
  645    HD2  LYS  83           1HD      LYS  83   9.149 -11.437  -0.297
  646    HD3  LYS  83           2HD      LYS  83  10.710 -10.894  -0.919
  647    HE2  LYS  83           1HE      LYS  83  11.274  -9.899   1.185
  648    HE3  LYS  83           2HE      LYS  83   9.652 -10.189   1.814
  649    HZ1  LYS  83           3HZ      LYS  83  10.187 -12.637   1.402
  650    HZ2  LYS  83           1HZ      LYS  83  10.928 -11.881   2.726
  651    HZ3  LYS  83           2HZ      LYS  83  11.806 -12.147   1.302
  652    H    ASP  84           H        ASP  84   5.341  -8.883  -2.978
  653    HA   ASP  84           HA       ASP  84   5.718  -9.954  -5.565
  654    HB2  ASP  84           1HB      ASP  84   3.872 -10.528  -3.938
  655    HB3  ASP  84           2HB      ASP  84   3.108  -9.007  -4.393
  656    H    GLY  85           H        GLY  85   4.493  -6.817  -4.418
  657    HA2  GLY  85           2HA      GLY  85   5.613  -5.390  -6.484
  658    HA3  GLY  85           1HA      GLY  85   4.013  -5.825  -7.055
  659    H    CYS  86           H        CYS  86   4.374  -3.338  -7.050
  660    HA   CYS  86           HA       CYS  86   3.872  -1.898  -4.651
  661    HB2  CYS  86           1HB      CYS  86   4.978  -0.659  -6.247
  662    HB3  CYS  86           2HB      CYS  86   4.068  -1.356  -7.573
  663    HA   PRO  87           HA       PRO  87  -0.425  -3.094  -4.658
  664    HB2  PRO  87           1HB      PRO  87  -0.989  -2.287  -2.153
  665    HB3  PRO  87           2HB      PRO  87  -0.081  -3.757  -2.515
  666    HG2  PRO  87           1HG      PRO  87   0.920  -1.070  -1.683
  667    HG3  PRO  87           2HG      PRO  87   1.450  -2.677  -1.164
  668    HD2  PRO  87           1HD      PRO  87   2.787  -1.195  -3.007
  669    HD3  PRO  87           2HD      PRO  87   2.789  -2.969  -2.999
  670    H    ARG  88           H        ARG  88   0.079  -0.570  -5.990
  671    HA   ARG  88           HA       ARG  88  -1.869   1.276  -4.862
  672    HB2  ARG  88           1HB      ARG  88  -0.581   1.317  -7.599
  673    HB3  ARG  88           2HB      ARG  88  -1.480   2.630  -6.850
  674    HG2  ARG  88           1HG      ARG  88   1.115   1.495  -5.839
  675    HG3  ARG  88           2HG      ARG  88   0.938   2.980  -6.772
  676    HD2  ARG  88           1HD      ARG  88   0.164   4.151  -5.006
  677    HD3  ARG  88           2HD      ARG  88  -0.714   2.771  -4.341
  678    HE   ARG  88           HE       ARG  88   2.056   3.499  -3.838
  679   HH11  ARG  88          2HH1      ARG  88  -0.581   1.304  -3.278
  680   HH12  ARG  88          1HH1      ARG  88   0.306   0.287  -2.192
  681   HH21  ARG  88          2HH2      ARG  88   3.267   2.138  -2.403
  682   HH22  ARG  88          1HH2      ARG  88   2.494   0.759  -1.695
  683    H    ILE  89           H        ILE  89  -3.996   1.381  -5.415
  684    HA   ILE  89           HA       ILE  89  -5.018  -0.890  -6.846
  685    HB   ILE  89           HB       ILE  89  -6.388   1.344  -5.364
  686   HG12  ILE  89          1HG1      ILE  89  -5.194  -0.231  -3.951
  687   HG13  ILE  89          2HG1      ILE  89  -6.929  -0.460  -3.762
  688   HG21  ILE  89          1HG2      ILE  89  -8.477   0.216  -5.656
  689   HG22  ILE  89          2HG2      ILE  89  -7.776   0.506  -7.248
  690   HG23  ILE  89          3HG2      ILE  89  -7.699  -1.104  -6.530
  691   HD11  ILE  89          3HD1      ILE  89  -6.334  -2.245  -5.739
  692   HD12  ILE  89          1HD1      ILE  89  -4.884  -2.298  -4.734
  693   HD13  ILE  89          2HD1      ILE  89  -6.464  -2.624  -4.021
  694    H    LEU  90           H        LEU  90  -5.642  -0.978  -8.860
  695    HA   LEU  90           HA       LEU  90  -6.878   1.270 -10.168
  696    HB2  LEU  90           1HB      LEU  90  -5.495   0.964 -12.231
  697    HB3  LEU  90           2HB      LEU  90  -4.672   1.738 -10.898
  698    HG   LEU  90           HG       LEU  90  -4.316  -1.209 -11.344
  699   HD11  LEU  90          1HD1      LEU  90  -3.446  -0.851 -13.364
  700   HD12  LEU  90          2HD1      LEU  90  -3.554   0.899 -13.179
  701   HD13  LEU  90          3HD1      LEU  90  -2.153   0.031 -12.552
  702   HD21  LEU  90          3HD2      LEU  90  -3.133  -0.773  -9.491
  703   HD22  LEU  90          1HD2      LEU  90  -1.935  -0.145 -10.625
  704   HD23  LEU  90          2HD2      LEU  90  -3.053   0.958  -9.822
  705    H    ASN  91           H        ASN  91  -7.997  -0.921  -9.188
  706    HA   ASN  91           HA       ASN  91  -8.033  -3.245 -10.637
  707    HB2  ASN  91           1HB      ASN  91 -10.145  -1.945  -8.947
  708    HB3  ASN  91           2HB      ASN  91 -10.397  -3.516  -9.690
  709   HD21  ASN  91          1HD2      ASN  91  -9.941  -5.151  -8.488
  710   HD22  ASN  91          2HD2      ASN  91  -8.837  -5.183  -7.147
  711    H    LEU  92           H        LEU  92  -8.673  -3.819 -12.522
  712    HA   LEU  92           HA       LEU  92 -11.080  -3.376 -13.755
  713    HB2  LEU  92           1HB      LEU  92 -10.435  -1.033 -13.947
  714    HB3  LEU  92           2HB      LEU  92  -8.937  -1.492 -14.732
  715    HG   LEU  92           HG       LEU  92 -10.258  -2.412 -16.629
  716   HD11  LEU  92          1HD1      LEU  92 -12.561  -2.147 -16.823
  717   HD12  LEU  92          2HD1      LEU  92 -12.349  -2.673 -15.153
  718   HD13  LEU  92          3HD1      LEU  92 -12.634  -0.970 -15.512
  719   HD21  LEU  92          3HD2      LEU  92  -9.910  -0.444 -17.570
  720   HD22  LEU  92          1HD2      LEU  92 -11.284   0.255 -16.713
  721   HD23  LEU  92          2HD2      LEU  92  -9.686   0.246 -15.963
  722    H    GLY  93           H        GLY  93  -7.631  -3.399 -14.476
  723    HA2  GLY  93           2HA      GLY  93  -6.919  -5.791 -15.159
  724    HA3  GLY  93           1HA      GLY  93  -8.050  -5.505 -16.483
  725    H    SER  94           H        SER  94  -7.688  -3.585 -17.778
  726    HA   SER  94           HA       SER  94  -5.580  -1.885 -17.701
  727    HB2  SER  94           1HB      SER  94  -4.073  -3.831 -17.983
  728    HB3  SER  94           2HB      SER  94  -4.883  -4.219 -19.502
  729    HG   SER  94           HG       SER  94  -3.165  -2.088 -18.872
  730    H    ASN  95           H        ASN  95  -6.676  -3.978 -20.347
  731    HA   ASN  95           HA       ASN  95  -7.939  -3.634 -22.193
  732    HB2  ASN  95           1HB      ASN  95  -8.799  -1.109 -20.769
  733    HB3  ASN  95           2HB      ASN  95  -9.481  -1.663 -22.293
  734   HD21  ASN  95          1HD2      ASN  95  -8.735  -4.370 -20.571
  735   HD22  ASN  95          2HD2      ASN  95 -10.252  -4.644 -19.785
  736    H    ARG  96           H        ARG  96  -5.904  -1.004 -21.139
  737    HA   ARG  96           HA       ARG  96  -4.939  -0.606 -23.838
  738    HB2  ARG  96           1HB      ARG  96  -5.324   1.951 -23.476
  739    HB3  ARG  96           2HB      ARG  96  -6.637   0.951 -24.078
  740    HG2  ARG  96           1HG      ARG  96  -7.621   2.311 -22.458
  741    HG3  ARG  96           2HG      ARG  96  -7.388   0.763 -21.647
  742    HD2  ARG  96           1HD      ARG  96  -5.086   1.887 -20.983
  743    HD3  ARG  96           2HD      ARG  96  -6.019   3.364 -21.220
  744    HE   ARG  96           HE       ARG  96  -6.171   1.589 -19.022
  745   HH11  ARG  96          2HH1      ARG  96  -8.199   3.669 -21.011
  746   HH12  ARG  96          1HH1      ARG  96  -9.422   3.828 -19.785
  747   HH21  ARG  96          2HH2      ARG  96  -7.778   1.815 -17.438
  748   HH22  ARG  96          1HH2      ARG  96  -9.185   2.795 -17.768
  749    H    LEU  97           H        LEU  97  -3.082   0.844 -23.911
  750    HA   LEU  97           HA       LEU  97  -1.137   1.739 -23.191
  751    HB2  LEU  97           1HB      LEU  97  -2.398   1.582 -20.476
  752    HB3  LEU  97           2HB      LEU  97  -0.811   2.268 -20.768
  753    HG   LEU  97           HG       LEU  97  -3.388   3.291 -21.969
  754   HD11  LEU  97          1HD1      LEU  97  -3.371   5.006 -20.394
  755   HD12  LEU  97          2HD1      LEU  97  -2.994   3.564 -19.452
  756   HD13  LEU  97          3HD1      LEU  97  -1.707   4.676 -19.915
  757   HD21  LEU  97          3HD2      LEU  97  -2.189   4.833 -23.116
  758   HD22  LEU  97          1HD2      LEU  97  -0.904   4.896 -21.908
  759   HD23  LEU  97          2HD2      LEU  97  -0.965   3.564 -23.062
  760    H    ASP  98           H        ASP  98  -2.055  -0.769 -20.864
  761    HA   ASP  98           HA       ASP  98   0.689  -1.645 -20.652
  762    HB2  ASP  98           1HB      ASP  98  -1.789  -2.956 -19.515
  763    HB3  ASP  98           2HB      ASP  98  -0.125  -3.318 -19.072
  764    H    ARG  99           H        ARG  99  -0.077  -1.839 -23.263
  765    HA   ARG  99           HA       ARG  99   0.154  -4.732 -23.684
  766    HB2  ARG  99           1HB      ARG  99  -1.519  -2.951 -25.469
  767    HB3  ARG  99           2HB      ARG  99  -1.328  -4.695 -25.584
  768    HG2  ARG  99           1HG      ARG  99  -2.518  -4.981 -23.482
  769    HG3  ARG  99           2HG      ARG  99  -2.688  -3.229 -23.331
  770    HD2  ARG  99           1HD      ARG  99  -3.879  -5.023 -25.431
  771    HD3  ARG  99           2HD      ARG  99  -4.733  -4.084 -24.207
  772    HE   ARG  99           HE       ARG  99  -3.209  -2.329 -25.785
  773   HH11  ARG  99          2HH1      ARG  99  -6.031  -4.392 -26.007
  774   HH12  ARG  99          1HH1      ARG  99  -6.761  -3.467 -27.287
  775   HH21  ARG  99          2HH2      ARG  99  -4.147  -1.135 -27.496
  776   HH22  ARG  99          1HH2      ARG  99  -5.676  -1.638 -28.153
  777    H    HIS 100           H        HIS 100   2.069  -2.699 -23.476
  778    HA   HIS 100           HA       HIS 100   3.356  -2.848 -26.090
  779    HB2  HIS 100           1HB      HIS 100   2.381  -0.356 -24.790
  780    HB3  HIS 100           2HB      HIS 100   4.004  -0.302 -25.457
  781    HD1  HIS 100           HD1      HIS 100   2.432   1.595 -26.816
  782    HD2  HIS 100           HD2      HIS 100   2.133  -2.411 -27.878
  783    HE1  HIS 100           HE1      HIS 100   1.488   1.582 -29.146
  784    HE2  HIS 100           HE2      HIS 100   1.178  -0.855 -29.714
  785    H    PHE 101           H        PHE 101   5.542  -3.158 -25.844
  786    HA   PHE 101           HA       PHE 101   6.535  -3.434 -23.177
  787    HB2  PHE 101           1HB      PHE 101   8.777  -3.802 -24.380
  788    HB3  PHE 101           2HB      PHE 101   7.502  -4.986 -24.609
  789    HD1  PHE 101           HD2      PHE 101   8.982  -1.964 -26.218
  790    HD2  PHE 101           HD1      PHE 101   6.932  -5.658 -26.724
  791    HE1  PHE 101           HE2      PHE 101   9.235  -1.767 -28.655
  792    HE2  PHE 101           HE1      PHE 101   7.197  -5.475 -29.161
  793    HZ   PHE 101           HZ       PHE 101   8.346  -3.526 -30.131
  794    H    GLU 102           H        GLU 102   6.947  -1.079 -25.757
  795    HA   GLU 102           HA       GLU 102   7.958   0.982 -25.809
  796    HB2  GLU 102           1HB      GLU 102   6.323   0.984 -23.282
  797    HB3  GLU 102           2HB      GLU 102   7.039   2.444 -23.955
  798    HG2  GLU 102           1HG      GLU 102   5.765   2.219 -25.966
  799    HG3  GLU 102           2HG      GLU 102   5.169   0.640 -25.466
  800    H    LYS 103           H        LYS 103  10.005  -0.355 -25.367
  801    HA   LYS 103           HA       LYS 103  12.115  -0.390 -24.550
  802    HB2  LYS 103           1HB      LYS 103  11.328   1.954 -22.811
  803    HB3  LYS 103           2HB      LYS 103  12.963   1.406 -23.153
  804    HG2  LYS 103           1HG      LYS 103  12.654   1.980 -25.517
  805    HG3  LYS 103           2HG      LYS 103  11.031   2.570 -25.143
  806    HD2  LYS 103           1HD      LYS 103  11.973   4.221 -23.615
  807    HD3  LYS 103           2HD      LYS 103  13.597   3.622 -23.960
  808    HE2  LYS 103           1HE      LYS 103  13.264   4.233 -26.341
  809    HE3  LYS 103           2HE      LYS 103  11.704   4.932 -25.906
  810    HZ1  LYS 103           3HZ      LYS 103  13.103   6.749 -25.839
  811    HZ2  LYS 103           1HZ      LYS 103  14.407   5.863 -25.214
  812    HZ3  LYS 103           2HZ      LYS 103  13.102   6.266 -24.213
  813    H    LYS 104           H        LYS 104  12.231   0.678 -21.522
  814    HA   LYS 104           HA       LYS 104  12.192  -0.207 -19.445
  815    HB2  LYS 104           1HB      LYS 104   9.792  -0.439 -19.714
  816    HB3  LYS 104           2HB      LYS 104  10.003  -1.951 -20.585
  817    HG2  LYS 104           1HG      LYS 104   9.290  -2.407 -18.340
  818    HG3  LYS 104           2HG      LYS 104  10.952  -2.958 -18.548
  819    HD2  LYS 104           1HD      LYS 104  11.746  -0.884 -17.479
  820    HD3  LYS 104           2HD      LYS 104  10.070  -0.395 -17.226
  821    HE2  LYS 104           1HE      LYS 104  11.340  -2.894 -16.116
  822    HE3  LYS 104           2HE      LYS 104  11.087  -1.401 -15.217
  823    HZ1  LYS 104           3HZ      LYS 104   8.685  -1.654 -15.640
  824    HZ2  LYS 104           1HZ      LYS 104   9.333  -2.919 -14.717
  825    HZ3  LYS 104           2HZ      LYS 104   8.984  -3.163 -16.358
  826    H    LYS 105           H        LYS 105  11.634  -3.009 -21.571
  827    HA   LYS 105           HA       LYS 105  14.270  -4.068 -20.950
  828    HB2  LYS 105           1HB      LYS 105  11.700  -5.509 -20.258
  829    HB3  LYS 105           2HB      LYS 105  13.242  -6.333 -20.429
  830    HG2  LYS 105           1HG      LYS 105  12.731  -4.109 -18.466
  831    HG3  LYS 105           2HG      LYS 105  12.595  -5.828 -18.084
  832    HD2  LYS 105           1HD      LYS 105  14.930  -6.166 -18.612
  833    HD3  LYS 105           2HD      LYS 105  15.084  -4.488 -19.137
  834    HE2  LYS 105           1HE      LYS 105  14.628  -3.713 -16.886
  835    HE3  LYS 105           2HE      LYS 105  14.365  -5.371 -16.344
  836    HZ1  LYS 105           3HZ      LYS 105  16.635  -5.887 -16.707
  837    HZ2  LYS 105           1HZ      LYS 105  16.598  -4.436 -15.828
  838    HZ3  LYS 105           2HZ      LYS 105  16.927  -4.409 -17.492
  839    H    LYS 106           H        LYS 106  13.207  -2.976 -23.280
  840    HA   LYS 106           HA       LYS 106  12.031  -4.874 -24.999
  841    HB2  LYS 106           1HB      LYS 106  11.876  -2.458 -25.392
  842    HB3  LYS 106           2HB      LYS 106  13.609  -2.388 -25.684
  843    HG2  LYS 106           1HG      LYS 106  13.347  -3.821 -27.640
  844    HG3  LYS 106           2HG      LYS 106  11.609  -3.904 -27.347
  845    HD2  LYS 106           1HD      LYS 106  12.098  -2.273 -29.078
  846    HD3  LYS 106           2HD      LYS 106  11.460  -1.468 -27.645
  847    HE2  LYS 106           1HE      LYS 106  13.687  -0.795 -26.987
  848    HE3  LYS 106           2HE      LYS 106  14.387  -1.701 -28.327
  849    HZ1  LYS 106           3HZ      LYS 106  13.544  -0.206 -29.878
  850    HZ2  LYS 106           1HZ      LYS 106  14.098   0.790 -28.621
  851    HZ3  LYS 106           2HZ      LYS 106  12.440   0.476 -28.785
  852    H    VAL 107           H        VAL 107  12.857  -6.476 -26.122
  853    HA   VAL 107           HA       VAL 107  15.730  -6.509 -26.733
  854    HB   VAL 107           HB       VAL 107  14.161  -8.936 -25.808
  855   HG11  VAL 107          1HG1      VAL 107  15.857 -10.227 -26.478
  856   HG12  VAL 107          2HG1      VAL 107  16.370  -8.843 -27.443
  857   HG13  VAL 107          3HG1      VAL 107  17.069  -9.111 -25.846
  858   HG21  VAL 107          3HG2      VAL 107  16.479  -8.122 -24.222
  859   HG22  VAL 107          1HG2      VAL 107  15.149  -6.966 -24.185
  860   HG23  VAL 107          2HG2      VAL 107  14.874  -8.640 -23.705