*HEADER    METAL BINDING PROTEIN                   27-MAR-03   1OVX              
*TITLE     NMR STRUCTURE OF THE E. COLI CLPX CHAPERONE ZINC BINDING              
*TITLE    2 DOMAIN DIMER                                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ATP-DEPENDENT CLP PROTEASE ATP-BINDING SUBUNIT             
*COMPND   3 CLPX;                                                                
*COMPND   4 CHAIN: A, B;                                                         
*COMPND   5 FRAGMENT: N-TERMINAL DOMAIN (RESIDUES 1-60);                         
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI, ESCHERICHIA COLI O6,          
*SOURCE   3 ESCHERICHIA COLI O157:H7, AND SHIGELLA FLEXNERI;                     
*SOURCE   4 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   5 STRAIN: K12;                                                         
*SOURCE   6 GENE: CLPX;                                                          
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   8 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   9 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  11 EXPRESSION_SYSTEM_PLASMID: PET28                                     
*KEYWDS    TREBLE CLEF ZINC FINGER, HOMODIMER                                    
*EXPDTA    NMR                                                                   
*AUTHOR    L.W.DONALDSON, J.KWAN, U.WOJTYRA, W.A.HOURY                           
*REVDAT   1   30-DEC-03 1OVX    0                                                

clpx-total-restraints.xplorTEXT????????mBIN???F! these restraints are written for XPLOR-NIH or CNS
! to get the true residue number of E coli ClpX
! please at 10 to all restraints. 
! The PDB file follows the correct residue numbering
!
! Logan Donaldson
! logand@yorku.ca
!
! March 27, 2003
!

assign ( segid "AAAA" and  resid   2 and name HN   )
       ( segid "AAAA" and  resid   2 and name HA   )
       3.40 1.60 0.00 peak 0 volume 160.670 ppm1   7.850 ppm2   4.241

assign ( segid "AAAA" and  resid   2 and name HN   )
       ( segid "AAAA" and  resid  11 and name HA   )
       5.50 3.70 0.00 peak 1 volume   6.891 ppm1   7.853 ppm2   3.803

assign ( segid "AAAA" and  resid   2 and name HN   )
       ( segid "AAAA" and  resid  11 and name HG*  )
       5.50 3.70 0.00 peak 2 volume  12.273 ppm1   7.846 ppm2   1.788

assign ( segid "AAAA" and  resid   2 and name HN   )
       ( segid "AAAA" and  resid   2 and name HB1  )
       4.00 2.20 0.00 peak 3 volume  39.954 ppm1   7.850 ppm2   1.419

assign ( segid "AAAA" and  resid   2 and name HN   )
       ( segid "AAAA" and  resid   2 and name HG   )
       6.00 4.20 0.00 peak 4 volume  25.635 ppm1   7.848 ppm2   1.066

assign ( segid "AAAA" and  resid   2 and name HN   )
       ( segid "AAAA" and  resid   1 and name HD2# )
       5.80 4.00 0.00 peak 5 volume  13.760 ppm1   7.850 ppm2   0.815

assign ( segid "AAAA" and  resid   3 and name HN   )
       ( segid "AAAA" and  resid   4 and name HN   )
       5.50 3.70 0.00 peak 6 volume   7.399 ppm1   7.582 ppm2   9.170

assign ( segid "AAAA" and  resid   3 and name HN   )
       ( segid "AAAA" and  resid   3 and name HD%  )
       6.00 4.20 0.00 peak 7 volume  19.229 ppm1   7.580 ppm2   6.963
       OR { 7 }
       ( segid "AAAA" and  resid   3 and name HN   )
       ( segid "AAAA" and  resid   3 and name HD%  )
       OR { 7 }
       ( segid "AAAA" and  resid   3 and name HN   )
       ( segid "AAAA" and  resid  24 and name HD%  )

assign ( segid "AAAA" and  resid   3 and name HN   )
       ( segid "AAAA" and  resid   3 and name HA   )
       6.00 4.20 0.00 peak 8 volume  16.127 ppm1   7.580 ppm2   4.871

assign ( segid "AAAA" and  resid   3 and name HN   )
       ( segid "AAAA" and  resid   2 and name HA   )
       2.90 1.10 0.00 peak 9 volume 138.214 ppm1   7.581 ppm2   4.243

assign ( segid "AAAA" and  resid   3 and name HN   )
       ( segid "AAAA" and  resid   3 and name HB2  )
       4.00 2.20 0.00 peak 10 volume  34.738 ppm1   7.580 ppm2   2.428

assign ( segid "AAAA" and  resid   3 and name HN   )
       ( segid "AAAA" and  resid   2 and name HB1  )
       5.50 3.70 0.00 peak 11 volume   7.819 ppm1   7.573 ppm2   1.386

assign ( segid "AAAA" and  resid   3 and name HN   )
       ( segid "AAAA" and  resid   2 and name HG   )
       5.50 3.70 0.00 peak 12 volume  16.071 ppm1   7.580 ppm2   1.032

assign ( segid "AAAA" and  resid   4 and name HN   )
       ( segid "AAAA" and  resid   9 and name HN   )
       5.50 3.70 0.00 peak 13 volume   8.303 ppm1   9.162 ppm2   8.733

assign ( segid "AAAA" and  resid   4 and name HN   )
       ( segid "AAAA" and  resid   3 and name HN   )
       5.50 3.70 0.00 peak 14 volume   8.830 ppm1   9.164 ppm2   7.607

assign ( segid "AAAA" and  resid   4 and name HN   )
       ( segid "AAAA" and  resid   3 and name HA   )
       2.90 1.10 0.00 peak 15 volume  53.400 ppm1   9.162 ppm2   4.866

assign ( segid "AAAA" and  resid   4 and name HN   )
       ( segid "AAAA" and  resid   8 and name HA2  )
       5.50 3.70 0.00 peak 16 volume  16.374 ppm1   9.163 ppm2   3.996
       OR { 16 }
       ( segid "AAAA" and  resid   4 and name HN   )
       ( segid "AAAA" and  resid   8 and name HA2  )
       OR { 16 }
       ( segid "AAAA" and  resid   4 and name HN   )
       ( segid "AAAA" and  resid   4 and name HA   )

assign ( segid "AAAA" and  resid   4 and name HN   )
       ( segid "AAAA" and  resid   4 and name HB1  )
       4.00 2.20 0.00 peak 17 volume  38.371 ppm1   9.162 ppm2   3.477

assign ( segid "AAAA" and  resid   4 and name HN   )
       ( segid "AAAA" and  resid   4 and name HB2  )
       6.00 4.20 0.00 peak 18 volume  27.796 ppm1   9.163 ppm2   2.696

assign ( segid "AAAA" and  resid   4 and name HN   )
       ( segid "AAAA" and  resid   3 and name HB1  )
       5.50 3.70 0.00 peak 19 volume  17.855 ppm1   9.163 ppm2   2.468

assign ( segid "AAAA" and  resid   4 and name HN   )
       ( segid "AAAA" and  resid  17 and name HD2# )
       5.80 4.00 0.00 peak 21 volume  13.251 ppm1   9.163 ppm2   0.505

assign ( segid "AAAA" and  resid   6 and name HN   )
       ( segid "AAAA" and  resid   5 and name HN   )
       5.50 3.70 0.00 peak 22 volume  20.561 ppm1   9.921 ppm2   9.614

assign ( segid "AAAA" and  resid   6 and name HN   )
       ( segid "AAAA" and  resid   7 and name HN   )
       3.50 1.70 0.00 peak 23 volume  45.373 ppm1   9.921 ppm2   8.686

assign ( segid "AAAA" and  resid   6 and name HN   )
       ( segid "AAAA" and  resid   6 and name HD%  )
       6.00 4.20 0.00 peak 24 volume  22.603 ppm1   9.922 ppm2   7.417

assign ( segid "AAAA" and  resid   6 and name HN   )
       ( segid "AAAA" and  resid   6 and name HD%  )
       6.00 4.20 0.00 peak 25 volume  22.603 ppm1   9.922 ppm2   7.417

assign ( segid "AAAA" and  resid   6 and name HN   )
       ( segid "AAAA" and  resid  25 and name HA   )
       5.50 3.70 0.00 peak 26 volume   4.235 ppm1   9.922 ppm2   6.133

assign ( segid "AAAA" and  resid   6 and name HN   )
       ( segid "AAAA" and  resid   5 and name HA   )
       5.50 3.70 0.00 peak 27 volume   9.102 ppm1   9.921 ppm2   4.416

assign ( segid "AAAA" and  resid   6 and name HN   )
       ( segid "AAAA" and  resid   6 and name HA   )
       6.00 4.20 0.00 peak 28 volume  24.724 ppm1   9.922 ppm2   4.179

assign ( segid "AAAA" and  resid   6 and name HN   )
       ( segid "AAAA" and  resid   6 and name HB1  )
       4.00 2.20 0.00 peak 29 volume  39.685 ppm1   9.921 ppm2   3.944

assign ( segid "AAAA" and  resid   6 and name HN   )
       ( segid "AAAA" and  resid   4 and name HB1  )
       5.50 3.70 0.00 peak 30 volume   5.383 ppm1   9.921 ppm2   3.447

assign ( segid "AAAA" and  resid   6 and name HN   )
       ( segid "AAAA" and  resid   6 and name HB2  )
       6.00 4.20 0.00 peak 31 volume  22.217 ppm1   9.921 ppm2   3.108

assign ( segid "AAAA" and  resid   6 and name HN   )
       ( segid "AAAA" and  resid   4 and name HB2  )
       5.50 3.70 0.00 peak 32 volume   5.100 ppm1   9.922 ppm2   2.721

assign ( segid "AAAA" and  resid   7 and name HN   )
       ( segid "AAAA" and  resid   6 and name HN   )
       3.50 1.70 0.00 peak 33 volume  42.932 ppm1   8.686 ppm2   9.928

assign ( segid "AAAA" and  resid   7 and name HN   )
       ( segid "AAAA" and  resid   8 and name HN   )
       2.90 1.10 0.00 peak 34 volume  58.408 ppm1   8.687 ppm2   7.645

assign ( segid "AAAA" and  resid   7 and name HN   )
       ( segid "AAAA" and  resid   6 and name HD%  )
       5.50 3.70 0.00 peak 35 volume   5.143 ppm1   8.694 ppm2   7.424

assign ( segid "AAAA" and  resid   7 and name HN   )
       ( segid "AAAA" and  resid   7 and name HA   )
       6.00 4.20 0.00 peak 36 volume  18.583 ppm1   8.686 ppm2   4.979

assign ( segid "AAAA" and  resid   7 and name HN   )
       ( segid "AAAA" and  resid   6 and name HA   )
       5.50 3.70 0.00 peak 37 volume  14.032 ppm1   8.690 ppm2   4.209

assign ( segid "AAAA" and  resid   7 and name HN   )
       ( segid "AAAA" and  resid   6 and name HB1  )
       3.50 1.70 0.00 peak 38 volume  30.683 ppm1   8.689 ppm2   3.935

assign ( segid "AAAA" and  resid   7 and name HN   )
       ( segid "AAAA" and  resid   4 and name HB1  )
       5.50 3.70 0.00 peak 39 volume  13.501 ppm1   8.688 ppm2   3.471

assign ( segid "AAAA" and  resid   7 and name HN   )
       ( segid "AAAA" and  resid   6 and name HB2  )
       5.50 3.70 0.00 peak 40 volume  21.492 ppm1   8.686 ppm2   3.146

assign ( segid "AAAA" and  resid   7 and name HN   )
       ( segid "AAAA" and  resid   7 and name HB2  )
       6.00 4.20 0.00 peak 41 volume  18.799 ppm1   8.686 ppm2   2.670

assign ( segid "AAAA" and  resid   8 and name HN   )
       ( segid "AAAA" and  resid   6 and name HN   )
       5.50 3.70 0.00 peak 42 volume  12.584 ppm1   7.640 ppm2   9.921

assign ( segid "AAAA" and  resid   8 and name HN   )
       ( segid "AAAA" and  resid   4 and name HN   )
       5.50 3.70 0.00 peak 43 volume   6.822 ppm1   7.640 ppm2   9.157

assign ( segid "AAAA" and  resid   8 and name HN   )
       ( segid "AAAA" and  resid   7 and name HN   )
       2.90 1.10 0.00 peak 44 volume  73.191 ppm1   7.642 ppm2   8.711

assign ( segid "AAAA" and  resid   8 and name HN   )
       ( segid "AAAA" and  resid   7 and name HA   )
       5.50 3.70 0.00 peak 45 volume  10.278 ppm1   7.644 ppm2   4.963

assign ( segid "AAAA" and  resid   8 and name HN   )
       ( segid "AAAA" and  resid   8 and name HA1  )
       3.40 1.60 0.00 peak 46 volume  54.541 ppm1   7.642 ppm2   4.203

assign ( segid "AAAA" and  resid   8 and name HN   )
       ( segid "AAAA" and  resid   8 and name HA2  )
       3.40 1.60 0.00 peak 47 volume  76.525 ppm1   7.644 ppm2   3.963

assign ( segid "AAAA" and  resid   8 and name HN   )
       ( segid "AAAA" and  resid   4 and name HB1  )
       5.50 3.70 0.00 peak 48 volume  20.877 ppm1   7.643 ppm2   3.479

assign ( segid "AAAA" and  resid   8 and name HN   )
       ( segid "AAAA" and  resid   7 and name HB1  )
       5.50 3.70 0.00 peak 49 volume   6.973 ppm1   7.646 ppm2   3.164

assign ( segid "AAAA" and  resid   8 and name HN   )
       ( segid "AAAA" and  resid   7 and name HB2  )
       5.50 3.70 0.00 peak 50 volume  15.658 ppm1   7.643 ppm2   2.676

assign ( segid "AAAA" and  resid   8 and name HN   )
       ( segid "AAAA" and  resid   3 and name HB2  )
       5.50 3.70 0.00 peak 51 volume   4.614 ppm1   7.640 ppm2   2.451

assign ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid   4 and name HN   )
       5.50 3.70 0.00 peak 52 volume  13.567 ppm1   8.754 ppm2   9.138

assign ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid   8 and name HN   )
       5.50 3.70 0.00 peak 53 volume  28.559 ppm1   8.754 ppm2   7.650

assign ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid   9 and name HA   )
       4.00 2.20 0.00 peak 54 volume  31.424 ppm1   8.756 ppm2   4.300

assign ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid   8 and name HA2  )
       5.50 3.70 0.00 peak 55 volume  14.101 ppm1   8.755 ppm2   3.960

assign ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid   4 and name HB1  )
       5.50 3.70 0.00 peak 56 volume  28.149 ppm1   8.756 ppm2   3.471

assign ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid   7 and name HB1  )
       5.50 3.70 0.00 peak 57 volume   5.783 ppm1   8.757 ppm2   3.161

assign ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid   9 and name HE2  )
       6.00 4.20 0.00 peak 58 volume   7.057 ppm1   8.756 ppm2   2.995
       OR { 58 }
       ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid   9 and name HE2  )
       OR { 58 }
       ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid   9 and name HE1  )

assign ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid   4 and name HB2  )
       5.50 3.70 0.00 peak 59 volume  17.535 ppm1   8.755 ppm2   2.682
       OR { 59 }
       ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid   4 and name HB2  )
       OR { 59 }
       ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid   7 and name HB2  )

assign ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid  13 and name HB*  )
       5.50 3.70 0.00 peak 60 volume   6.189 ppm1   8.757 ppm2   2.230
       OR { 60 }
       ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid  13 and name HB*  )
       OR { 60 }
       ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid  13 and name HB*  )

assign ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid   9 and name HB2  )
       3.40 1.60 0.00 peak 61 volume  65.138 ppm1   8.756 ppm2   1.748
       OR { 61 }
       ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid   9 and name HB2  )
       OR { 61 }
       ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid   9 and name HG2  )

assign ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid   9 and name HD1  )
       6.00 4.20 0.00 peak 62 volume  17.937 ppm1   8.757 ppm2   1.422
       OR { 62 }
       ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid   9 and name HD1  )
       OR { 62 }
       ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid   9 and name HD2  )

assign ( segid "AAAA" and  resid   9 and name HN   )
       ( segid "AAAA" and  resid  14 and name HG1# )
       5.80 4.00 0.00 peak 63 volume   6.453 ppm1   8.756 ppm2   0.988

assign ( segid "AAAA" and  resid  10 and name HN   )
       ( segid "AAAA" and  resid   9 and name HN   )
       5.50 3.70 0.00 peak 64 volume   5.921 ppm1   9.121 ppm2   8.756

assign ( segid "AAAA" and  resid  10 and name HN   )
       ( segid "AAAA" and  resid  11 and name HN   )
       5.50 3.70 0.00 peak 65 volume   4.313 ppm1   9.122 ppm2   8.132

assign ( segid "AAAA" and  resid  10 and name HN   )
       ( segid "AAAA" and  resid  13 and name HN   )
       5.50 3.70 0.00 peak 66 volume   4.125 ppm1   9.127 ppm2   7.850

assign ( segid "AAAA" and  resid  10 and name HN   )
       ( segid "AAAA" and  resid   9 and name HA   )
       2.90 1.10 0.00 peak 67 volume  75.753 ppm1   9.124 ppm2   4.336

assign ( segid "AAAA" and  resid  10 and name HN   )
       ( segid "AAAA" and  resid  10 and name HB*  )
       6.00 4.20 0.00 peak 68 volume  19.886 ppm1   9.123 ppm2   3.869

assign ( segid "AAAA" and  resid  10 and name HN   )
       ( segid "AAAA" and  resid  13 and name HG*  )
       3.50 1.70 0.00 peak 69 volume  35.537 ppm1   9.123 ppm2   2.260
       OR { 69 }
       ( segid "AAAA" and  resid  10 and name HN   )
       ( segid "AAAA" and  resid  13 and name HG*  )
       OR { 69 }
       ( segid "AAAA" and  resid  10 and name HN   )
       ( segid "AAAA" and  resid  13 and name HB*  )

assign ( segid "AAAA" and  resid  10 and name HN   )
       ( segid "AAAA" and  resid   9 and name HG2  )
       5.50 3.70 0.00 peak 70 volume  24.951 ppm1   9.123 ppm2   1.739
       OR { 70 }
       ( segid "AAAA" and  resid  10 and name HN   )
       ( segid "AAAA" and  resid   9 and name HG2  )
       OR { 70 }
       ( segid "AAAA" and  resid  10 and name HN   )
       ( segid "AAAA" and  resid   9 and name HB2  )

assign ( segid "AAAA" and  resid  10 and name HN   )
       ( segid "AAAA" and  resid   9 and name HD2  )
       5.50 3.70 0.00 peak 71 volume   9.084 ppm1   9.124 ppm2   1.421
       OR { 71 }
       ( segid "AAAA" and  resid  10 and name HN   )
       ( segid "AAAA" and  resid   9 and name HD2  )
       OR { 71 }
       ( segid "AAAA" and  resid  10 and name HN   )
       ( segid "AAAA" and  resid   9 and name HD1  )

assign ( segid "AAAA" and  resid  10 and name HN   )
       ( segid "AAAA" and  resid  14 and name HG1# )
       5.80 4.00 0.00 peak 72 volume   3.652 ppm1   9.122 ppm2   0.968

assign ( segid "AAAA" and  resid  11 and name HN   )
       ( segid "AAAA" and  resid  10 and name HN   )
       5.50 3.70 0.00 peak 73 volume   3.676 ppm1   8.127 ppm2   9.130

assign ( segid "AAAA" and  resid  11 and name HN   )
       ( segid "AAAA" and  resid  12 and name HN   )
       5.50 3.70 0.00 peak 74 volume   4.508 ppm1   8.121 ppm2   7.577

assign ( segid "AAAA" and  resid  11 and name HN   )
       ( segid "AAAA" and  resid  11 and name HA   )
       6.00 4.20 0.00 peak 75 volume  25.729 ppm1   8.125 ppm2   3.734

assign ( segid "AAAA" and  resid  11 and name HN   )
       ( segid "AAAA" and  resid  11 and name HG*  )
       6.00 4.20 0.00 peak 76 volume  24.912 ppm1   8.126 ppm2   1.810

assign ( segid "AAAA" and  resid  12 and name HN   )
       ( segid "AAAA" and  resid  11 and name HN   )
       5.50 3.70 0.00 peak 77 volume   7.253 ppm1   7.546 ppm2   8.117

assign ( segid "AAAA" and  resid  12 and name HN   )
       ( segid "AAAA" and  resid  13 and name HN   )
       5.50 3.70 0.00 peak 78 volume  19.964 ppm1   7.551 ppm2   7.854

assign ( segid "AAAA" and  resid  12 and name HN   )
       ( segid "AAAA" and  resid  14 and name HN   )
       5.50 3.70 0.00 peak 79 volume   3.353 ppm1   7.545 ppm2   7.022

assign ( segid "AAAA" and  resid  12 and name HN   )
       ( segid "AAAA" and  resid  10 and name HB*  )
       5.50 3.70 0.00 peak 80 volume   6.926 ppm1   7.550 ppm2   3.732

assign ( segid "AAAA" and  resid  12 and name HN   )
       ( segid "AAAA" and  resid  12 and name HB*  )
       6.00 4.20 0.00 peak 81 volume  10.015 ppm1   7.551 ppm2   3.222

assign ( segid "AAAA" and  resid  12 and name HN   )
       ( segid "AAAA" and  resid  12 and name HB*  )
       6.00 4.20 0.00 peak 82 volume  11.435 ppm1   7.550 ppm2   2.855

assign ( segid "AAAA" and  resid  12 and name HN   )
       ( segid "AAAA" and  resid  11 and name HG*  )
       5.50 3.70 0.00 peak 83 volume   7.931 ppm1   7.552 ppm2   1.784
       OR { 83 }
       ( segid "AAAA" and  resid  12 and name HN   )
       ( segid "AAAA" and  resid  11 and name HG*  )
       OR { 83 }
       ( segid "AAAA" and  resid  12 and name HN   )
       ( segid "AAAA" and  resid  11 and name HB*  )

assign ( segid "AAAA" and  resid  13 and name HN   )
       ( segid "AAAA" and  resid  10 and name HN   )
       5.50 3.70 0.00 peak 84 volume   4.729 ppm1   7.870 ppm2   9.113

assign ( segid "AAAA" and  resid  13 and name HN   )
       ( segid "AAAA" and  resid  12 and name HN   )
       5.50 3.70 0.00 peak 85 volume  20.663 ppm1   7.868 ppm2   7.546

assign ( segid "AAAA" and  resid  13 and name HN   )
       ( segid "AAAA" and  resid  14 and name HN   )
       2.90 1.10 0.00 peak 86 volume  71.135 ppm1   7.868 ppm2   6.989

assign ( segid "AAAA" and  resid  13 and name HN   )
       ( segid "AAAA" and  resid  13 and name HA   )
       6.00 4.20 0.00 peak 87 volume  20.720 ppm1   7.868 ppm2   4.450

assign ( segid "AAAA" and  resid  13 and name HN   )
       ( segid "AAAA" and  resid  11 and name HA   )
       5.50 3.70 0.00 peak 88 volume   7.844 ppm1   7.868 ppm2   3.774

assign ( segid "AAAA" and  resid  13 and name HN   )
       ( segid "AAAA" and  resid  12 and name HB*  )
       5.50 3.70 0.00 peak 89 volume   6.194 ppm1   7.869 ppm2   3.227

assign ( segid "AAAA" and  resid  13 and name HN   )
       ( segid "AAAA" and  resid  12 and name HB*  )
       5.50 3.70 0.00 peak 90 volume   6.790 ppm1   7.869 ppm2   2.845

assign ( segid "AAAA" and  resid  13 and name HN   )
       ( segid "AAAA" and  resid  13 and name HB*  )
       3.40 1.60 0.00 peak 91 volume  88.523 ppm1   7.868 ppm2   2.264

assign ( segid "AAAA" and  resid  13 and name HN   )
       ( segid "AAAA" and  resid  11 and name HG*  )
       5.50 3.70 0.00 peak 92 volume   6.287 ppm1   7.868 ppm2   1.768

assign ( segid "AAAA" and  resid  13 and name HN   )
       ( segid "AAAA" and  resid  14 and name HG1# )
       5.80 4.00 0.00 peak 93 volume   7.916 ppm1   7.869 ppm2   0.951

assign ( segid "AAAA" and  resid  13 and name HN   )
       ( segid "AAAA" and  resid  14 and name HG2# )
       5.80 4.00 0.00 peak 94 volume  11.045 ppm1   7.868 ppm2   0.682

assign ( segid "AAAA" and  resid  14 and name HN   )
       ( segid "AAAA" and  resid  15 and name HN   )
       5.50 3.70 0.00 peak 95 volume   8.241 ppm1   6.985 ppm2   9.107

assign ( segid "AAAA" and  resid  14 and name HN   )
       ( segid "AAAA" and  resid  13 and name HN   )
       2.90 1.10 0.00 peak 96 volume  82.610 ppm1   6.984 ppm2   7.869

assign ( segid "AAAA" and  resid  14 and name HN   )
       ( segid "AAAA" and  resid  14 and name HA   )
       4.00 2.20 0.00 peak 97 volume  31.869 ppm1   6.984 ppm2   4.897

assign ( segid "AAAA" and  resid  14 and name HN   )
       ( segid "AAAA" and  resid  13 and name HA   )
       5.50 3.70 0.00 peak 98 volume  17.408 ppm1   6.984 ppm2   4.443

assign ( segid "AAAA" and  resid  14 and name HN   )
       ( segid "AAAA" and  resid  11 and name HA   )
       5.50 3.70 0.00 peak 99 volume   8.870 ppm1   6.984 ppm2   3.770

assign ( segid "AAAA" and  resid  14 and name HN   )
       ( segid "AAAA" and  resid  14 and name HB   )
       6.00 4.20 0.00 peak 100 volume  10.094 ppm1   6.984 ppm2   2.708

assign ( segid "AAAA" and  resid  14 and name HN   )
       ( segid "AAAA" and  resid  13 and name HB*  )
       5.50 3.70 0.00 peak 101 volume  28.560 ppm1   6.983 ppm2   2.259
       OR { 101 }
       ( segid "AAAA" and  resid  14 and name HN   )
       ( segid "AAAA" and  resid  13 and name HB*  )
       OR { 101 }
       ( segid "AAAA" and  resid  14 and name HN   )
       ( segid "AAAA" and  resid  13 and name HB*  )

assign ( segid "AAAA" and  resid  14 and name HN   )
       ( segid "AAAA" and  resid   9 and name HB2  )
       5.50 3.70 0.00 peak 102 volume   7.816 ppm1   6.983 ppm2   1.740

assign ( segid "AAAA" and  resid  14 and name HN   )
       ( segid "AAAA" and  resid  14 and name HG1# )
       4.30 2.50 0.00 peak 103 volume  34.933 ppm1   6.984 ppm2   0.952

assign ( segid "AAAA" and  resid  14 and name HN   )
       ( segid "AAAA" and  resid  14 and name HG2# )
       3.70 1.90 0.00 peak 104 volume  81.691 ppm1   6.984 ppm2   0.692

assign ( segid "AAAA" and  resid  15 and name HN   )
       ( segid "AAAA" and  resid  16 and name HN   )
       3.50 1.70 0.00 peak 105 volume  49.078 ppm1   9.096 ppm2   8.538

assign ( segid "AAAA" and  resid  15 and name HN   )
       ( segid "AAAA" and  resid  14 and name HN   )
       5.50 3.70 0.00 peak 106 volume   4.656 ppm1   9.098 ppm2   6.989

assign ( segid "AAAA" and  resid  15 and name HN   )
       ( segid "AAAA" and  resid  15 and name HA   )
       6.00 4.20 0.00 peak 107 volume  25.996 ppm1   9.100 ppm2   4.250
       OR { 107 }
       ( segid "AAAA" and  resid  15 and name HN   )
       ( segid "AAAA" and  resid  15 and name HA   )
       OR { 107 }
       ( segid "AAAA" and  resid  15 and name HN   )
       ( segid "AAAA" and  resid   1 and name HA   )

assign ( segid "AAAA" and  resid  15 and name HN   )
       ( segid "AAAA" and  resid  14 and name HB   )
       2.90 1.10 0.00 peak 108 volume  62.380 ppm1   9.097 ppm2   2.706

assign ( segid "AAAA" and  resid  15 and name HN   )
       ( segid "AAAA" and  resid  15 and name HB*  )
       3.40 1.60 0.00 peak 109 volume  66.049 ppm1   9.099 ppm2   1.831
       OR { 109 }
       ( segid "AAAA" and  resid  15 and name HN   )
       ( segid "AAAA" and  resid  15 and name HB*  )
       OR { 109 }
       ( segid "AAAA" and  resid  15 and name HN   )
       ( segid "AAAA" and  resid  15 and name HB*  )

assign ( segid "AAAA" and  resid  15 and name HN   )
       ( segid "AAAA" and  resid  15 and name HG*  )
       6.00 4.20 0.00 peak 110 volume  15.517 ppm1   9.097 ppm2   1.603
       OR { 110 }
       ( segid "AAAA" and  resid  15 and name HN   )
       ( segid "AAAA" and  resid  15 and name HG*  )
       OR { 110 }
       ( segid "AAAA" and  resid  15 and name HN   )
       ( segid "AAAA" and  resid  15 and name HG*  )

assign ( segid "AAAA" and  resid  15 and name HN   )
       ( segid "AAAA" and  resid  14 and name HG1# )
       5.80 4.00 0.00 peak 111 volume  15.807 ppm1   9.101 ppm2   0.952

assign ( segid "AAAA" and  resid  15 and name HN   )
       ( segid "AAAA" and  resid  14 and name HG2# )
       5.80 4.00 0.00 peak 112 volume  17.614 ppm1   9.096 ppm2   0.677

assign ( segid "AAAA" and  resid  16 and name HN   )
       ( segid "AAAA" and  resid  15 and name HN   )
       2.90 1.10 0.00 peak 113 volume  53.155 ppm1   8.533 ppm2   9.089

assign ( segid "AAAA" and  resid  16 and name HN   )
       ( segid "AAAA" and  resid  16 and name HA   )
       6.00 4.20 0.00 peak 114 volume  20.122 ppm1   8.534 ppm2   4.502

assign ( segid "AAAA" and  resid  16 and name HN   )
       ( segid "AAAA" and  resid  15 and name HA   )
       5.50 3.70 0.00 peak 115 volume  11.053 ppm1   8.536 ppm2   4.244

assign ( segid "AAAA" and  resid  16 and name HN   )
       ( segid "AAAA" and  resid  27 and name HB*  )
       5.50 3.70 0.00 peak 116 volume  25.493 ppm1   8.533 ppm2   2.713
       OR { 116 }
       ( segid "AAAA" and  resid  16 and name HN   )
       ( segid "AAAA" and  resid  27 and name HB*  )
       OR { 116 }
       ( segid "AAAA" and  resid  16 and name HN   )
       ( segid "AAAA" and  resid  14 and name HB   )

assign ( segid "AAAA" and  resid  16 and name HN   )
       ( segid "AAAA" and  resid  27 and name HB*  )
       5.50 3.70 0.00 peak 117 volume   9.261 ppm1   8.533 ppm2   2.438

assign ( segid "AAAA" and  resid  16 and name HN   )
       ( segid "AAAA" and  resid  15 and name HB*  )
       3.50 1.70 0.00 peak 118 volume  36.937 ppm1   8.534 ppm2   1.823
       OR { 118 }
       ( segid "AAAA" and  resid  16 and name HN   )
       ( segid "AAAA" and  resid  15 and name HB*  )
       OR { 118 }
       ( segid "AAAA" and  resid  16 and name HN   )
       ( segid "AAAA" and  resid  15 and name HB*  )

assign ( segid "AAAA" and  resid  16 and name HN   )
       ( segid "AAAA" and  resid  16 and name HB*  )
       4.00 2.20 0.00 peak 119 volume  36.395 ppm1   8.534 ppm2   1.614
       OR { 119 }
       ( segid "AAAA" and  resid  16 and name HN   )
       ( segid "AAAA" and  resid  16 and name HB*  )
       OR { 119 }
       ( segid "AAAA" and  resid  16 and name HN   )
       ( segid "AAAA" and  resid  16 and name HB*  )

assign ( segid "AAAA" and  resid  16 and name HN   )
       ( segid "AAAA" and  resid  16 and name HG*  )
       6.00 4.20 0.00 peak 120 volume   8.759 ppm1   8.533 ppm2   1.307
       OR { 120 }
       ( segid "AAAA" and  resid  16 and name HN   )
       ( segid "AAAA" and  resid  16 and name HG*  )
       OR { 120 }
       ( segid "AAAA" and  resid  16 and name HN   )
       ( segid "AAAA" and  resid  16 and name HG*  )

assign ( segid "AAAA" and  resid  16 and name HN   )
       ( segid "AAAA" and  resid  14 and name HG2# )
       5.80 4.00 0.00 peak 121 volume  18.349 ppm1   8.534 ppm2   0.675

assign ( segid "AAAA" and  resid  17 and name HN   )
       ( segid "AAAA" and  resid  18 and name HN   )
       5.50 3.70 0.00 peak 122 volume   3.309 ppm1   8.449 ppm2   9.445

assign ( segid "AAAA" and  resid  17 and name HN   )
       ( segid "AAAA" and  resid  17 and name HA   )
       6.00 4.20 0.00 peak 123 volume  14.101 ppm1   8.447 ppm2   4.784

assign ( segid "AAAA" and  resid  17 and name HN   )
       ( segid "AAAA" and  resid  16 and name HA   )
       2.90 1.10 0.00 peak 124 volume  87.990 ppm1   8.448 ppm2   4.488

assign ( segid "AAAA" and  resid  17 and name HN   )
       ( segid "AAAA" and  resid  17 and name HB*  )
       6.00 4.20 0.00 peak 125 volume  29.637 ppm1   8.448 ppm2   1.641
       OR { 125 }
       ( segid "AAAA" and  resid  17 and name HN   )
       ( segid "AAAA" and  resid  17 and name HB*  )
       OR { 125 }
       ( segid "AAAA" and  resid  17 and name HN   )
       ( segid "AAAA" and  resid  16 and name HB*  )

assign ( segid "AAAA" and  resid  17 and name HN   )
       ( segid "AAAA" and  resid  17 and name HB*  )
       6.00 4.20 0.00 peak 126 volume  29.637 ppm1   8.448 ppm2   1.641
       OR { 126 }
       ( segid "AAAA" and  resid  17 and name HN   )
       ( segid "AAAA" and  resid  17 and name HB*  )
       OR { 126 }
       ( segid "AAAA" and  resid  17 and name HN   )
       ( segid "AAAA" and  resid  16 and name HB*  )

assign ( segid "AAAA" and  resid  17 and name HN   )
       ( segid "AAAA" and  resid   2 and name HB2  )
       5.50 3.70 0.00 peak 127 volume  24.099 ppm1   8.448 ppm2   1.242
       OR { 127 }
       ( segid "AAAA" and  resid  17 and name HN   )
       ( segid "AAAA" and  resid   2 and name HB2  )
       OR { 127 }
       ( segid "AAAA" and  resid  17 and name HN   )
       ( segid "AAAA" and  resid  16 and name HG*  )
       OR { 127 }
       ( segid "AAAA" and  resid  17 and name HN   )
       ( segid "AAAA" and  resid  16 and name HG*  )

assign ( segid "AAAA" and  resid  17 and name HN   )
       ( segid "AAAA" and  resid  14 and name HG2# )
       5.80 4.00 0.00 peak 128 volume   4.149 ppm1   8.452 ppm2   0.746

assign ( segid "AAAA" and  resid  17 and name HN   )
       ( segid "AAAA" and  resid   2 and name HD2# )
       5.80 4.00 0.00 peak 129 volume   5.779 ppm1   8.447 ppm2   0.546
       OR { 129 }
       ( segid "AAAA" and  resid  17 and name HN   )
       ( segid "AAAA" and  resid   2 and name HD2# )
       OR { 129 }
       ( segid "AAAA" and  resid  17 and name HN   )
       ( segid "AAAA" and  resid  17 and name HD1# )

assign ( segid "AAAA" and  resid  18 and name HN   )
       ( segid "AAAA" and  resid  17 and name HN   )
       5.50 3.70 0.00 peak 130 volume   4.787 ppm1   9.435 ppm2   8.505

assign ( segid "AAAA" and  resid  18 and name HN   )
       ( segid "AAAA" and  resid  26 and name HA   )
       5.50 3.70 0.00 peak 131 volume  12.099 ppm1   9.439 ppm2   5.985

assign ( segid "AAAA" and  resid  18 and name HN   )
       ( segid "AAAA" and  resid  17 and name HA   )
       2.90 1.10 0.00 peak 132 volume  59.819 ppm1   9.436 ppm2   4.805

assign ( segid "AAAA" and  resid  18 and name HN   )
       ( segid "AAAA" and  resid  18 and name HA   )
       6.00 4.20 0.00 peak 133 volume  11.870 ppm1   9.435 ppm2   4.225

assign ( segid "AAAA" and  resid  18 and name HN   )
       ( segid "AAAA" and  resid  18 and name HB   )
       4.00 2.20 0.00 peak 134 volume  41.276 ppm1   9.436 ppm2   2.095

assign ( segid "AAAA" and  resid  18 and name HN   )
       ( segid "AAAA" and  resid  18 and name HG12 )
       6.00 4.20 0.00 peak 135 volume  15.429 ppm1   9.438 ppm2   1.439

assign ( segid "AAAA" and  resid  18 and name HN   )
       ( segid "AAAA" and  resid  18 and name HG11 )
       6.00 4.20 0.00 peak 136 volume  12.558 ppm1   9.437 ppm2   1.156

assign ( segid "AAAA" and  resid  18 and name HN   )
       ( segid "AAAA" and  resid  18 and name HD1# )
       6.30 4.50 0.00 peak 137 volume  10.373 ppm1   9.437 ppm2   0.846

assign ( segid "AAAA" and  resid  18 and name HN   )
       ( segid "AAAA" and  resid  17 and name HD1# )
       5.80 4.00 0.00 peak 138 volume  14.756 ppm1   9.438 ppm2   0.563

assign ( segid "AAAA" and  resid  19 and name HN   )
       ( segid "AAAA" and  resid  25 and name HN   )
       5.50 3.70 0.00 peak 139 volume   6.154 ppm1   8.595 ppm2   9.440
       OR { 139 }
       ( segid "AAAA" and  resid  19 and name HN   )
       ( segid "AAAA" and  resid  25 and name HN   )
       OR { 139 }
       ( segid "AAAA" and  resid  19 and name HN   )
       ( segid "AAAA" and  resid  18 and name HN   )

assign ( segid "AAAA" and  resid  19 and name HN   )
       ( segid "AAAA" and  resid  24 and name HE%  )
       5.50 3.70 0.00 peak 140 volume   3.675 ppm1   8.600 ppm2   7.033

assign ( segid "AAAA" and  resid  19 and name HN   )
       ( segid "AAAA" and  resid  19 and name HA   )
       6.00 4.20 0.00 peak 141 volume  20.421 ppm1   8.601 ppm2   4.777

assign ( segid "AAAA" and  resid  19 and name HN   )
       ( segid "AAAA" and  resid  19 and name HB1  )
       3.40 1.60 0.00 peak 142 volume  82.618 ppm1   8.593 ppm2   1.536

assign ( segid "AAAA" and  resid  19 and name HN   )
       ( segid "AAAA" and  resid  18 and name HG2# )
       3.80 2.00 0.00 peak 143 volume  40.362 ppm1   8.594 ppm2   0.985

assign ( segid "AAAA" and  resid  20 and name HN   )
       ( segid "AAAA" and  resid  19 and name HN   )
       5.50 3.70 0.00 peak 144 volume   6.009 ppm1   8.344 ppm2   8.607

assign ( segid "AAAA" and  resid  20 and name HN   )
       ( segid "AAAA" and  resid  24 and name HE%  )
       5.50 3.70 0.00 peak 145 volume   8.527 ppm1   8.337 ppm2   6.987
       OR { 145 }
       ( segid "AAAA" and  resid  20 and name HN   )
       ( segid "AAAA" and  resid  24 and name HE%  )
       OR { 145 }
       ( segid "AAAA" and  resid  20 and name HN   )
       ( segid "AAAA" and  resid  24 and name HD%  )

assign ( segid "AAAA" and  resid  20 and name HN   )
       ( segid "AAAA" and  resid  23 and name HN   )
       5.50 3.70 0.00 peak 146 volume   8.121 ppm1   8.338 ppm2   6.439

assign ( segid "AAAA" and  resid  20 and name HN   )
       ( segid "AAAA" and  resid  24 and name HA   )
       5.50 3.70 0.00 peak 147 volume  16.406 ppm1   8.336 ppm2   5.679

assign ( segid "AAAA" and  resid  20 and name HN   )
       ( segid "AAAA" and  resid  19 and name HA   )
       2.90 1.10 0.00 peak 148 volume  96.003 ppm1   8.336 ppm2   4.784

assign ( segid "AAAA" and  resid  20 and name HN   )
       ( segid "AAAA" and  resid  20 and name HA*  )
       6.00 4.20 0.00 peak 149 volume  19.134 ppm1   8.339 ppm2   4.616

assign ( segid "AAAA" and  resid  20 and name HN   )
       ( segid "AAAA" and  resid  20 and name HA*  )
       4.00 2.20 0.00 peak 150 volume  33.397 ppm1   8.337 ppm2   3.108

assign ( segid "AAAA" and  resid  20 and name HN   )
       ( segid "AAAA" and  resid  19 and name HB1  )
       5.50 3.70 0.00 peak 151 volume  15.138 ppm1   8.353 ppm2   1.565

assign ( segid "AAAA" and  resid  20 and name HN   )
       ( segid "AAAA" and  resid  23 and name HG2# )
       5.80 4.00 0.00 peak 152 volume   7.103 ppm1   8.334 ppm2   0.116

assign ( segid "AAAA" and  resid  22 and name HN   )
       ( segid "AAAA" and  resid  23 and name HN   )
       5.50 3.70 0.00 peak 153 volume  12.671 ppm1   8.147 ppm2   6.453

assign ( segid "AAAA" and  resid  22 and name HN   )
       ( segid "AAAA" and  resid  21 and name HA   )
       5.50 3.70 0.00 peak 154 volume  15.319 ppm1   8.149 ppm2   4.428

assign ( segid "AAAA" and  resid  22 and name HN   )
       ( segid "AAAA" and  resid  21 and name HB*  )
       5.50 3.70 0.00 peak 155 volume   7.969 ppm1   8.148 ppm2   2.109
       OR { 155 }
       ( segid "AAAA" and  resid  22 and name HN   )
       ( segid "AAAA" and  resid  21 and name HB*  )
       OR { 155 }
       ( segid "AAAA" and  resid  22 and name HN   )
       ( segid "AAAA" and  resid  21 and name HB*  )

assign ( segid "AAAA" and  resid  23 and name HN   )
       ( segid "AAAA" and  resid  24 and name HN   )
       5.50 3.70 0.00 peak 156 volume   6.564 ppm1   6.443 ppm2   8.644

assign ( segid "AAAA" and  resid  23 and name HN   )
       ( segid "AAAA" and  resid  20 and name HN   )
       5.50 3.70 0.00 peak 157 volume  15.728 ppm1   6.444 ppm2   8.353

assign ( segid "AAAA" and  resid  23 and name HN   )
       ( segid "AAAA" and  resid  22 and name HN   )
       5.50 3.70 0.00 peak 158 volume  17.262 ppm1   6.441 ppm2   8.149

assign ( segid "AAAA" and  resid  23 and name HN   )
       ( segid "AAAA" and  resid  23 and name HB   )
       6.00 4.20 0.00 peak 159 volume  12.864 ppm1   6.444 ppm2   1.732

assign ( segid "AAAA" and  resid  23 and name HN   )
       ( segid "AAAA" and  resid  23 and name HG1# )
       4.30 2.50 0.00 peak 160 volume  36.337 ppm1   6.442 ppm2   0.236

assign ( segid "AAAA" and  resid  23 and name HN   )
       ( segid "AAAA" and  resid  23 and name HG2# )
       4.30 2.50 0.00 peak 161 volume  43.390 ppm1   6.442 ppm2   0.077

assign ( segid "AAAA" and  resid  24 and name HN   )
       ( segid "AAAA" and  resid   5 and name HN   )
       5.50 3.70 0.00 peak 162 volume   9.875 ppm1   8.654 ppm2   9.611

assign ( segid "AAAA" and  resid  24 and name HN   )
       ( segid "AAAA" and  resid  20 and name HN   )
       5.50 3.70 0.00 peak 163 volume   4.071 ppm1   8.661 ppm2   8.348

assign ( segid "AAAA" and  resid  24 and name HN   )
       ( segid "AAAA" and  resid  24 and name HD%  )
       6.00 4.20 0.00 peak 164 volume  13.903 ppm1   8.650 ppm2   6.990

assign ( segid "AAAA" and  resid  24 and name HN   )
       ( segid "AAAA" and  resid  24 and name HA   )
       6.00 4.20 0.00 peak 165 volume  10.911 ppm1   8.650 ppm2   5.669

assign ( segid "AAAA" and  resid  24 and name HN   )
       ( segid "AAAA" and  resid  23 and name HA   )
       2.90 1.10 0.00 peak 166 volume  51.455 ppm1   8.650 ppm2   4.266

assign ( segid "AAAA" and  resid  24 and name HN   )
       ( segid "AAAA" and  resid   5 and name HB1  )
       5.50 3.70 0.00 peak 167 volume  16.590 ppm1   8.651 ppm2   4.030
       OR { 167 }
       ( segid "AAAA" and  resid  24 and name HN   )
       ( segid "AAAA" and  resid   5 and name HB1  )
       OR { 167 }
       ( segid "AAAA" and  resid  24 and name HN   )
       ( segid "AAAA" and  resid   5 and name HB2  )

assign ( segid "AAAA" and  resid  24 and name HN   )
       ( segid "AAAA" and  resid  24 and name HB*  )
       6.00 4.20 0.00 peak 168 volume  18.466 ppm1   8.652 ppm2   3.249

assign ( segid "AAAA" and  resid  24 and name HN   )
       ( segid "AAAA" and  resid  24 and name HB*  )
       6.00 4.20 0.00 peak 169 volume  10.869 ppm1   8.652 ppm2   2.796

assign ( segid "AAAA" and  resid  24 and name HN   )
       ( segid "AAAA" and  resid  23 and name HG2# )
       5.80 4.00 0.00 peak 171 volume  21.140 ppm1   8.651 ppm2   0.078

assign ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid  24 and name HN   )
       5.50 3.70 0.00 peak 172 volume   4.888 ppm1   9.388 ppm2   8.645

assign ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid   6 and name HZ   )
       5.50 3.70 0.00 peak 173 volume   9.224 ppm1   9.383 ppm2   7.009
       OR { 173 }
       ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid   6 and name HZ   )
       OR { 173 }
       ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid  24 and name HD%  )

assign ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid  25 and name HA   )
       6.00 4.20 0.00 peak 174 volume   9.933 ppm1   9.384 ppm2   6.123

assign ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid  24 and name HA   )
       2.90 1.10 0.00 peak 175 volume  61.813 ppm1   9.383 ppm2   5.678

assign ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid  18 and name HA   )
       5.50 3.70 0.00 peak 176 volume   3.252 ppm1   9.383 ppm2   4.257

assign ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid   4 and name HA   )
       5.50 3.70 0.00 peak 177 volume   4.309 ppm1   9.381 ppm2   4.026

assign ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid  24 and name HB*  )
       5.50 3.70 0.00 peak 178 volume   8.447 ppm1   9.385 ppm2   3.249

assign ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid  24 and name HB*  )
       5.50 3.70 0.00 peak 179 volume  17.709 ppm1   9.383 ppm2   2.772

assign ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid  18 and name HB   )
       5.50 3.70 0.00 peak 180 volume  12.129 ppm1   9.383 ppm2   2.092

assign ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid  25 and name HB   )
       6.00 4.20 0.00 peak 181 volume   9.965 ppm1   9.383 ppm2   1.827

assign ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid  25 and name HG11 )
       6.00 4.20 0.00 peak 182 volume   7.498 ppm1   9.385 ppm2   1.545
       OR { 182 }
       ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid  25 and name HG11 )
       OR { 182 }
       ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid  25 and name HG12 )

assign ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid  25 and name HG2# )
       4.30 2.50 0.00 peak 183 volume  40.309 ppm1   9.382 ppm2   0.628

assign ( segid "AAAA" and  resid  27 and name HN   )
       ( segid "AAAA" and  resid  30 and name HN   )
       5.50 3.70 0.00 peak 184 volume  17.378 ppm1   8.993 ppm2   8.522

assign ( segid "AAAA" and  resid  27 and name HN   )
       ( segid "AAAA" and  resid  28 and name HN   )
       5.50 3.70 0.00 peak 185 volume  24.393 ppm1   8.995 ppm2   8.202

assign ( segid "AAAA" and  resid  27 and name HN   )
       ( segid "AAAA" and  resid  26 and name HA   )
       2.90 1.10 0.00 peak 186 volume  56.697 ppm1   8.994 ppm2   5.986

assign ( segid "AAAA" and  resid  27 and name HN   )
       ( segid "AAAA" and  resid  26 and name HB*  )
       3.50 1.70 0.00 peak 187 volume  33.444 ppm1   8.995 ppm2   3.474

assign ( segid "AAAA" and  resid  27 and name HN   )
       ( segid "AAAA" and  resid  27 and name HB*  )
       4.00 2.20 0.00 peak 188 volume  38.396 ppm1   8.994 ppm2   2.712

assign ( segid "AAAA" and  resid  27 and name HN   )
       ( segid "AAAA" and  resid  27 and name HB*  )
       4.00 2.20 0.00 peak 189 volume  35.252 ppm1   8.994 ppm2   2.442

assign ( segid "AAAA" and  resid  28 and name HN   )
       ( segid "AAAA" and  resid  29 and name HN   )
       2.90 1.10 0.00 peak 190 volume  62.099 ppm1   8.182 ppm2   9.204

assign ( segid "AAAA" and  resid  28 and name HN   )
       ( segid "AAAA" and  resid  27 and name HN   )
       5.50 3.70 0.00 peak 191 volume  20.049 ppm1   8.185 ppm2   8.994

assign ( segid "AAAA" and  resid  28 and name HN   )
       ( segid "AAAA" and  resid  26 and name HA   )
       5.50 3.70 0.00 peak 192 volume   4.948 ppm1   8.182 ppm2   6.006

assign ( segid "AAAA" and  resid  28 and name HN   )
       ( segid "AAAA" and  resid  28 and name HA   )
       6.00 4.20 0.00 peak 193 volume  28.063 ppm1   8.183 ppm2   4.219

assign ( segid "AAAA" and  resid  28 and name HN   )
       ( segid "AAAA" and  resid  26 and name HB*  )
       5.50 3.70 0.00 peak 194 volume  10.429 ppm1   8.184 ppm2   3.473

assign ( segid "AAAA" and  resid  28 and name HN   )
       ( segid "AAAA" and  resid  28 and name HG*  )
       6.00 4.20 0.00 peak 196 volume  23.186 ppm1   8.183 ppm2   2.092
       OR { 196 }
       ( segid "AAAA" and  resid  28 and name HN   )
       ( segid "AAAA" and  resid  28 and name HG*  )
       OR { 196 }
       ( segid "AAAA" and  resid  28 and name HN   )
       ( segid "AAAA" and  resid  28 and name HG*  )

assign ( segid "AAAA" and  resid  29 and name HN   )
       ( segid "AAAA" and  resid  30 and name HN   )
       5.50 3.70 0.00 peak 197 volume  20.385 ppm1   9.199 ppm2   8.525

assign ( segid "AAAA" and  resid  29 and name HN   )
       ( segid "AAAA" and  resid  28 and name HN   )
       3.50 1.70 0.00 peak 198 volume  47.192 ppm1   9.197 ppm2   8.195

assign ( segid "AAAA" and  resid  29 and name HN   )
       ( segid "AAAA" and  resid  31 and name HN   )
       5.50 3.70 0.00 peak 199 volume   4.555 ppm1   9.200 ppm2   7.505

assign ( segid "AAAA" and  resid  29 and name HN   )
       ( segid "AAAA" and  resid  29 and name HB*  )
       6.00 4.20 0.00 peak 200 volume  27.292 ppm1   9.198 ppm2   3.032

assign ( segid "AAAA" and  resid  29 and name HN   )
       ( segid "AAAA" and  resid  29 and name HB*  )
       4.00 2.20 0.00 peak 201 volume  30.084 ppm1   9.199 ppm2   2.500

assign ( segid "AAAA" and  resid  29 and name HN   )
       ( segid "AAAA" and  resid  28 and name HG*  )
       5.50 3.70 0.00 peak 202 volume  12.426 ppm1   9.198 ppm2   2.087
       OR { 202 }
       ( segid "AAAA" and  resid  29 and name HN   )
       ( segid "AAAA" and  resid  28 and name HG*  )
       OR { 202 }
       ( segid "AAAA" and  resid  29 and name HN   )
       ( segid "AAAA" and  resid  28 and name HG*  )

assign ( segid "AAAA" and  resid  29 and name HN   )
       ( segid "AAAA" and  resid  25 and name HG11 )
       5.50 3.70 0.00 peak 203 volume   4.385 ppm1   9.199 ppm2   1.552
       OR { 203 }
       ( segid "AAAA" and  resid  29 and name HN   )
       ( segid "AAAA" and  resid  25 and name HG11 )
       OR { 203 }
       ( segid "AAAA" and  resid  29 and name HN   )
       ( segid "AAAA" and  resid  25 and name HG12 )

assign ( segid "AAAA" and  resid  30 and name HN   )
       ( segid "AAAA" and  resid  29 and name HN   )
       3.50 1.70 0.00 peak 204 volume  34.387 ppm1   8.531 ppm2   9.197

assign ( segid "AAAA" and  resid  30 and name HN   )
       ( segid "AAAA" and  resid  27 and name HN   )
       5.50 3.70 0.00 peak 205 volume   6.792 ppm1   8.529 ppm2   8.966

assign ( segid "AAAA" and  resid  30 and name HN   )
       ( segid "AAAA" and  resid  28 and name HN   )
       5.50 3.70 0.00 peak 206 volume   8.986 ppm1   8.533 ppm2   8.202

assign ( segid "AAAA" and  resid  30 and name HN   )
       ( segid "AAAA" and  resid  31 and name HN   )
       3.50 1.70 0.00 peak 207 volume  48.132 ppm1   8.531 ppm2   7.470

assign ( segid "AAAA" and  resid  30 and name HN   )
       ( segid "AAAA" and  resid  29 and name HA   )
       3.50 1.70 0.00 peak 208 volume  33.033 ppm1   8.531 ppm2   4.012

assign ( segid "AAAA" and  resid  30 and name HN   )
       ( segid "AAAA" and  resid  30 and name HA   )
       6.00 4.20 0.00 peak 209 volume  27.990 ppm1   8.532 ppm2   3.202

assign ( segid "AAAA" and  resid  30 and name HN   )
       ( segid "AAAA" and  resid  29 and name HB*  )
       5.50 3.70 0.00 peak 210 volume  14.000 ppm1   8.532 ppm2   2.507

assign ( segid "AAAA" and  resid  30 and name HN   )
       ( segid "AAAA" and  resid  30 and name HB   )
       3.40 1.60 0.00 peak 211 volume  67.216 ppm1   8.531 ppm2   1.960

assign ( segid "AAAA" and  resid  30 and name HN   )
       ( segid "AAAA" and  resid  25 and name HG11 )
       5.50 3.70 0.00 peak 212 volume   9.675 ppm1   8.531 ppm2   1.542
       OR { 212 }
       ( segid "AAAA" and  resid  30 and name HN   )
       ( segid "AAAA" and  resid  25 and name HG11 )
       OR { 212 }
       ( segid "AAAA" and  resid  30 and name HN   )
       ( segid "AAAA" and  resid  25 and name HG12 )

assign ( segid "AAAA" and  resid  30 and name HN   )
       ( segid "AAAA" and  resid  30 and name HG2# )
       3.70 1.90 0.00 peak 213 volume  90.544 ppm1   8.531 ppm2   0.778
       OR { 213 }
       ( segid "AAAA" and  resid  30 and name HN   )
       ( segid "AAAA" and  resid  30 and name HG2# )
       OR { 213 }
       ( segid "AAAA" and  resid  30 and name HN   )
       ( segid "AAAA" and  resid  30 and name HG1# )

assign ( segid "AAAA" and  resid  30 and name HN   )
       ( segid "AAAA" and  resid  25 and name HD1# )
       5.80 4.00 0.00 peak 214 volume  10.284 ppm1   8.531 ppm2  -0.127

assign ( segid "AAAA" and  resid  31 and name HN   )
       ( segid "AAAA" and  resid  29 and name HN   )
       5.50 3.70 0.00 peak 215 volume   3.705 ppm1   7.466 ppm2   9.188

assign ( segid "AAAA" and  resid  31 and name HN   )
       ( segid "AAAA" and  resid  30 and name HN   )
       3.50 1.70 0.00 peak 216 volume  33.816 ppm1   7.462 ppm2   8.542

assign ( segid "AAAA" and  resid  31 and name HN   )
       ( segid "AAAA" and  resid  28 and name HA   )
       5.50 3.70 0.00 peak 217 volume  13.048 ppm1   7.466 ppm2   4.229

assign ( segid "AAAA" and  resid  31 and name HN   )
       ( segid "AAAA" and  resid  30 and name HA   )
       5.50 3.70 0.00 peak 218 volume  11.558 ppm1   7.464 ppm2   3.186

assign ( segid "AAAA" and  resid  31 and name HN   )
       ( segid "AAAA" and  resid  31 and name HB*  )
       3.40 1.60 0.00 peak 219 volume  61.208 ppm1   7.462 ppm2   2.855

assign ( segid "AAAA" and  resid  31 and name HN   )
       ( segid "AAAA" and  resid  30 and name HB   )
       3.50 1.70 0.00 peak 220 volume  32.954 ppm1   7.463 ppm2   1.963

assign ( segid "AAAA" and  resid  31 and name HN   )
       ( segid "AAAA" and  resid  30 and name HG2# )
       5.80 4.00 0.00 peak 221 volume  25.306 ppm1   7.462 ppm2   0.748

assign ( segid "AAAA" and  resid  32 and name HN   )
       ( segid "AAAA" and  resid  30 and name HN   )
       5.50 3.70 0.00 peak 222 volume   5.987 ppm1   7.565 ppm2   8.512

assign ( segid "AAAA" and  resid  32 and name HN   )
       ( segid "AAAA" and  resid  33 and name HN   )
       3.50 1.70 0.00 peak 223 volume  33.239 ppm1   7.563 ppm2   8.314

assign ( segid "AAAA" and  resid  32 and name HN   )
       ( segid "AAAA" and  resid  31 and name HA   )
       5.50 3.70 0.00 peak 224 volume  10.340 ppm1   7.564 ppm2   4.472

assign ( segid "AAAA" and  resid  32 and name HN   )
       ( segid "AAAA" and  resid  32 and name HA   )
       4.00 2.20 0.00 peak 225 volume  35.862 ppm1   7.561 ppm2   4.185

assign ( segid "AAAA" and  resid  32 and name HN   )
       ( segid "AAAA" and  resid  30 and name HA   )
       5.50 3.70 0.00 peak 226 volume   6.901 ppm1   7.561 ppm2   3.191

assign ( segid "AAAA" and  resid  32 and name HN   )
       ( segid "AAAA" and  resid  31 and name HB*  )
       5.50 3.70 0.00 peak 227 volume  23.635 ppm1   7.562 ppm2   2.793

assign ( segid "AAAA" and  resid  32 and name HN   )
       ( segid "AAAA" and  resid  32 and name HB*  )
       3.40 1.60 0.00 peak 228 volume  85.680 ppm1   7.561 ppm2   1.821
       OR { 228 }
       ( segid "AAAA" and  resid  32 and name HN   )
       ( segid "AAAA" and  resid  32 and name HB*  )
       OR { 228 }
       ( segid "AAAA" and  resid  32 and name HN   )
       ( segid "AAAA" and  resid  32 and name HB*  )

assign ( segid "AAAA" and  resid  33 and name HN   )
       ( segid "AAAA" and  resid  35 and name HN   )
       5.50 3.70 0.00 peak 229 volume  10.914 ppm1   8.315 ppm2   7.793

assign ( segid "AAAA" and  resid  33 and name HN   )
       ( segid "AAAA" and  resid  32 and name HN   )
       2.90 1.10 0.00 peak 230 volume  51.460 ppm1   8.314 ppm2   7.553

assign ( segid "AAAA" and  resid  33 and name HN   )
       ( segid "AAAA" and  resid  31 and name HA   )
       5.50 3.70 0.00 peak 231 volume   3.723 ppm1   8.313 ppm2   4.456

assign ( segid "AAAA" and  resid  33 and name HN   )
       ( segid "AAAA" and  resid  32 and name HA   )
       5.50 3.70 0.00 peak 232 volume  13.741 ppm1   8.315 ppm2   4.191

assign ( segid "AAAA" and  resid  33 and name HN   )
       ( segid "AAAA" and  resid  33 and name HA   )
       4.00 2.20 0.00 peak 233 volume  33.006 ppm1   8.315 ppm2   3.932

assign ( segid "AAAA" and  resid  33 and name HN   )
       ( segid "AAAA" and  resid  33 and name HB*  )
       3.40 1.60 0.00 peak 234 volume  54.928 ppm1   8.315 ppm2   3.222

assign ( segid "AAAA" and  resid  33 and name HN   )
       ( segid "AAAA" and  resid  33 and name HB*  )
       6.00 4.20 0.00 peak 235 volume  22.464 ppm1   8.314 ppm2   2.293

assign ( segid "AAAA" and  resid  33 and name HN   )
       ( segid "AAAA" and  resid  32 and name HB*  )
       3.50 1.70 0.00 peak 236 volume  49.495 ppm1   8.315 ppm2   1.835

assign ( segid "AAAA" and  resid  33 and name HN   )
       ( segid "AAAA" and  resid  25 and name HD1# )
       5.80 4.00 0.00 peak 237 volume   5.111 ppm1   8.315 ppm2  -0.121

assign ( segid "AAAA" and  resid  34 and name HN   )
       ( segid "AAAA" and  resid  35 and name HN   )
       3.50 1.70 0.00 peak 238 volume  49.375 ppm1   8.484 ppm2   7.779

assign ( segid "AAAA" and  resid  34 and name HN   )
       ( segid "AAAA" and  resid  32 and name HN   )
       5.50 3.70 0.00 peak 239 volume  20.979 ppm1   8.484 ppm2   7.532

assign ( segid "AAAA" and  resid  34 and name HN   )
       ( segid "AAAA" and  resid  34 and name HA   )
       4.00 2.20 0.00 peak 240 volume  31.044 ppm1   8.485 ppm2   4.271

assign ( segid "AAAA" and  resid  34 and name HN   )
       ( segid "AAAA" and  resid  33 and name HA   )
       5.50 3.70 0.00 peak 241 volume  11.178 ppm1   8.484 ppm2   3.949

assign ( segid "AAAA" and  resid  34 and name HN   )
       ( segid "AAAA" and  resid  30 and name HA   )
       3.50 1.70 0.00 peak 242 volume  33.895 ppm1   8.485 ppm2   3.231
       OR { 242 }
       ( segid "AAAA" and  resid  34 and name HN   )
       ( segid "AAAA" and  resid  30 and name HA   )
       OR { 242 }
       ( segid "AAAA" and  resid  34 and name HN   )
       ( segid "AAAA" and  resid  33 and name HB*  )

assign ( segid "AAAA" and  resid  34 and name HN   )
       ( segid "AAAA" and  resid  34 and name HB*  )
       3.40 1.60 0.00 peak 243 volume  56.497 ppm1   8.484 ppm2   3.002

assign ( segid "AAAA" and  resid  34 and name HN   )
       ( segid "AAAA" and  resid  34 and name HB*  )
       4.00 2.20 0.00 peak 244 volume  33.278 ppm1   8.485 ppm2   2.655

assign ( segid "AAAA" and  resid  34 and name HN   )
       ( segid "AAAA" and  resid  33 and name HB*  )
       5.50 3.70 0.00 peak 245 volume  14.900 ppm1   8.484 ppm2   2.302

assign ( segid "AAAA" and  resid  35 and name HN   )
       ( segid "AAAA" and  resid  34 and name HN   )
       3.50 1.70 0.00 peak 246 volume  30.565 ppm1   7.771 ppm2   8.484

assign ( segid "AAAA" and  resid  35 and name HN   )
       ( segid "AAAA" and  resid  37 and name HN   )
       5.50 3.70 0.00 peak 247 volume  10.456 ppm1   7.772 ppm2   8.257

assign ( segid "AAAA" and  resid  35 and name HN   )
       ( segid "AAAA" and  resid  35 and name HB*  )
       3.40 1.60 0.00 peak 248 volume  64.559 ppm1   7.770 ppm2   2.957

assign ( segid "AAAA" and  resid  35 and name HN   )
       ( segid "AAAA" and  resid  35 and name HB*  )
       4.00 2.20 0.00 peak 249 volume  42.297 ppm1   7.771 ppm2   2.693

assign ( segid "AAAA" and  resid  36 and name HN   )
       ( segid "AAAA" and  resid  37 and name HN   )
       5.50 3.70 0.00 peak 250 volume  28.995 ppm1   7.883 ppm2   8.273

assign ( segid "AAAA" and  resid  36 and name HN   )
       ( segid "AAAA" and  resid  36 and name HA   )
       6.00 4.20 0.00 peak 251 volume  21.399 ppm1   7.879 ppm2   3.758

assign ( segid "AAAA" and  resid  36 and name HN   )
       ( segid "AAAA" and  resid  35 and name HB*  )
       5.50 3.70 0.00 peak 252 volume  22.814 ppm1   7.883 ppm2   2.971

assign ( segid "AAAA" and  resid  36 and name HN   )
       ( segid "AAAA" and  resid  35 and name HB*  )
       5.50 3.70 0.00 peak 253 volume  14.139 ppm1   7.887 ppm2   2.698

assign ( segid "AAAA" and  resid  36 and name HN   )
       ( segid "AAAA" and  resid  36 and name HB   )
       3.40 1.60 0.00 peak 254 volume  69.046 ppm1   7.883 ppm2   1.920

assign ( segid "AAAA" and  resid  36 and name HN   )
       ( segid "AAAA" and  resid  36 and name HG11 )
       6.00 4.20 0.00 peak 255 volume  21.507 ppm1   7.882 ppm2   1.112

assign ( segid "AAAA" and  resid  36 and name HN   )
       ( segid "AAAA" and  resid  37 and name HG2# )
       3.80 2.00 0.00 peak 256 volume  44.823 ppm1   7.883 ppm2   0.891

assign ( segid "AAAA" and  resid  37 and name HN   )
       ( segid "AAAA" and  resid  34 and name HA   )
       5.50 3.70 0.00 peak 257 volume  12.749 ppm1   8.273 ppm2   4.311

assign ( segid "AAAA" and  resid  37 and name HN   )
       ( segid "AAAA" and  resid  36 and name HB   )
       2.90 1.10 0.00 peak 258 volume  96.677 ppm1   8.274 ppm2   1.957

assign ( segid "AAAA" and  resid  37 and name HN   )
       ( segid "AAAA" and  resid  37 and name HG2# )
       4.30 2.50 0.00 peak 259 volume  45.019 ppm1   8.276 ppm2   0.915

assign ( segid "AAAA" and  resid  38 and name HN   )
       ( segid "AAAA" and  resid  34 and name HA   )
       5.50 3.70 0.00 peak 260 volume   9.777 ppm1   8.028 ppm2   4.348

assign ( segid "AAAA" and  resid  38 and name HN   )
       ( segid "AAAA" and  resid  38 and name HA   )
       6.00 4.20 0.00 peak 261 volume  18.148 ppm1   8.032 ppm2   4.078

assign ( segid "AAAA" and  resid  38 and name HN   )
       ( segid "AAAA" and  resid  38 and name HB*  )
       3.40 1.60 0.00 peak 262 volume  50.586 ppm1   8.032 ppm2   1.943
       OR { 262 }
       ( segid "AAAA" and  resid  38 and name HN   )
       ( segid "AAAA" and  resid  38 and name HB*  )
       OR { 262 }
       ( segid "AAAA" and  resid  38 and name HN   )
       ( segid "AAAA" and  resid  38 and name HB*  )

assign ( segid "AAAA" and  resid  38 and name HN   )
       ( segid "AAAA" and  resid  37 and name HG2# )
       5.80 4.00 0.00 peak 263 volume   9.144 ppm1   8.034 ppm2   0.927

assign ( segid "AAAA" and  resid  39 and name HN   )
       ( segid "AAAA" and  resid  39 and name HG*  )
       6.00 4.20 0.00 peak 264 volume  29.954 ppm1   7.702 ppm2   2.082
       OR { 264 }
       ( segid "AAAA" and  resid  39 and name HN   )
       ( segid "AAAA" and  resid  39 and name HG*  )
       OR { 264 }
       ( segid "AAAA" and  resid  39 and name HN   )
       ( segid "AAAA" and  resid  39 and name HB*  )
       OR { 264 }
       ( segid "AAAA" and  resid  39 and name HN   )
       ( segid "AAAA" and  resid  39 and name HB*  )

assign ( segid "AAAA" and  resid  39 and name HN   )
       ( segid "AAAA" and  resid  39 and name HG*  )
       6.00 4.20 0.00 peak 265 volume  29.954 ppm1   7.702 ppm2   2.082
       OR { 265 }
       ( segid "AAAA" and  resid  39 and name HN   )
       ( segid "AAAA" and  resid  39 and name HG*  )
       OR { 265 }
       ( segid "AAAA" and  resid  39 and name HN   )
       ( segid "AAAA" and  resid  39 and name HB*  )
       OR { 265 }
       ( segid "AAAA" and  resid  39 and name HN   )
       ( segid "AAAA" and  resid  39 and name HB*  )

assign ( segid "AAAA" and  resid  11 and name HE2% )
       ( segid "AAAA" and  resid   2 and name HD2# )
       5.80 4.00 0.00 peak 266 volume   2.542 ppm1   7.422 ppm2   0.542

assign ( segid "AAAA" and  resid  11 and name HE2% )
       ( segid "AAAA" and  resid  11 and name HG*  )
       6.00 4.20 0.00 peak 267 volume  12.676 ppm1   6.722 ppm2   1.754

assign ( segid "AAAA" and  resid  11 and name HE2% )
       ( segid "AAAA" and  resid   2 and name HB1  )
       5.50 3.70 0.00 peak 268 volume   3.628 ppm1   6.719 ppm2   1.427

assign ( segid "AAAA" and  resid  11 and name HE2% )
       ( segid "AAAA" and  resid   2 and name HD1# )
       5.80 4.00 0.00 peak 269 volume   6.114 ppm1   6.721 ppm2   0.595
       OR { 269 }
       ( segid "AAAA" and  resid  11 and name HE2% )
       ( segid "AAAA" and  resid   2 and name HD1# )
       OR { 269 }
       ( segid "AAAA" and  resid  11 and name HE2% )
       ( segid "AAAA" and  resid   2 and name HD2# )

assign ( segid "AAAA" and  resid  18 and name HN   )
       ( segid "AAAA" and  resid  17 and name HN   )
       5.50 3.70 0.00 peak 271 volume   4.787 ppm1   9.435 ppm2   8.505

assign ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid  26 and name HN   )
       5.50 3.70 0.00 peak 272 volume   6.147 ppm1   9.378 ppm2   8.972

assign ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid  20 and name HN   )
       5.50 3.70 0.00 peak 273 volume   2.991 ppm1   9.370 ppm2   8.361

assign ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid  17 and name HA   )
       5.50 3.70 0.00 peak 274 volume  10.253 ppm1   9.383 ppm2   4.789
       OR { 274 }
       ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid  17 and name HA   )
       OR { 274 }
       ( segid "AAAA" and  resid  25 and name HN   )
       ( segid "AAAA" and  resid  19 and name HA   )

assign ( segid "AAAA" and  resid   4 and name HN   )
       ( segid "AAAA" and  resid   5 and name HN   )
       5.50 3.70 0.00 peak 275 volume   4.110 ppm1   9.160 ppm2   9.598

assign ( segid "AAAA" and  resid  29 and name HN   )
       ( segid "AAAA" and  resid  25 and name HD1# )
       5.80 4.00 0.00 peak 276 volume   2.535 ppm1   9.195 ppm2  -0.108

assign ( segid "AAAA" and  resid  32 and name HN   )
       ( segid "AAAA" and  resid  29 and name HN   )
       5.50 3.70 0.00 peak 277 volume   2.702 ppm1   7.568 ppm2   9.186

assign ( segid "AAAA" and  resid   5 and name HN   )
       ( segid "AAAA" and  resid   6 and name HN   )
       5.50 3.70 0.00 peak 278 volume  20.406 ppm1   9.605 ppm2   9.914

assign ( segid "AAAA" and  resid   5 and name HN   )
       ( segid "AAAA" and  resid   3 and name HD%  )
       5.50 3.70 0.00 peak 280 volume   5.080 ppm1   9.607 ppm2   6.962

assign ( segid "AAAA" and  resid   5 and name HN   )
       ( segid "AAAA" and  resid  25 and name HA   )
       5.50 3.70 0.00 peak 281 volume   5.544 ppm1   9.604 ppm2   6.138

assign ( segid "AAAA" and  resid   5 and name HN   )
       ( segid "AAAA" and  resid   5 and name HA   )
       6.00 4.20 0.00 peak 282 volume  18.753 ppm1   9.604 ppm2   4.405

assign ( segid "AAAA" and  resid   5 and name HN   )
       ( segid "AAAA" and  resid   5 and name HB2  )
       3.40 1.60 0.00 peak 283 volume  89.402 ppm1   9.604 ppm2   4.020
       OR { 283 }
       ( segid "AAAA" and  resid   5 and name HN   )
       ( segid "AAAA" and  resid   5 and name HB2  )
       OR { 283 }
       ( segid "AAAA" and  resid   5 and name HN   )
       ( segid "AAAA" and  resid   4 and name HA   )
       OR { 283 }
       ( segid "AAAA" and  resid   5 and name HN   )
       ( segid "AAAA" and  resid   5 and name HB1  )

assign ( segid "AAAA" and  resid   5 and name HN   )
       ( segid "AAAA" and  resid   4 and name HB1  )
       5.50 3.70 0.00 peak 284 volume   5.786 ppm1   9.600 ppm2   3.502

assign ( segid "AAAA" and  resid   5 and name HN   )
       ( segid "AAAA" and  resid  24 and name HB*  )
       5.50 3.70 0.00 peak 285 volume  21.122 ppm1   9.605 ppm2   3.252

assign ( segid "AAAA" and  resid   5 and name HN   )
       ( segid "AAAA" and  resid  24 and name HB*  )
       5.50 3.70 0.00 peak 286 volume  16.348 ppm1   9.605 ppm2   2.765

assign ( segid "AAAA" and  resid   6 and name HN   )
       ( segid "AAAA" and  resid   6 and name HD%  )
       6.00 4.20 0.00 peak 287 volume  22.603 ppm1   9.922 ppm2   7.417

assign ( segid "AAAA" and  resid   4 and name HN   )
       ( segid "AAAA" and  resid   4 and name HB1  )
       4.00 2.20 0.00 peak 288 volume  37.707 ppm1   9.162 ppm2   3.472

assign ( segid "AAAA" and  resid  15 and name HN   )
       ( segid "AAAA" and  resid  15 and name HD*  )
       6.00 4.20 0.00 peak 289 volume   5.727 ppm1   9.102 ppm2   3.226
       OR { 289 }
       ( segid "AAAA" and  resid  15 and name HN   )
       ( segid "AAAA" and  resid  15 and name HD*  )
       OR { 289 }
       ( segid "AAAA" and  resid  15 and name HN   )
       ( segid "AAAA" and  resid  15 and name HD*  )

assign ( segid "AAAA" and  resid  18 and name HN   )
       ( segid "AAAA" and  resid  24 and name HA   )
       5.50 3.70 0.00 peak 290 volume   3.998 ppm1   9.434 ppm2   5.687

assign ( segid "AAAA" and  resid  26 and name HN   )
       ( segid "AAAA" and  resid  26 and name HA   )
       6.00 4.20 0.00 peak 291 volume  16.162 ppm1   9.015 ppm2   5.953

assign ( segid "AAAA" and  resid  26 and name HN   )
       ( segid "AAAA" and  resid  25 and name HA   )
       2.90 1.10 0.00 peak 292 volume  61.926 ppm1   9.012 ppm2   6.131

assign ( segid "AAAA" and  resid  26 and name HN   )
       ( segid "AAAA" and  resid  25 and name HG2# )
       5.80 4.00 0.00 peak 295 volume  12.792 ppm1   9.013 ppm2   0.597

assign ( segid "AAAA" and  resid  26 and name HN   )
       ( segid "AAAA" and  resid  25 and name HD1# )
       5.80 4.00 0.00 peak 296 volume   9.237 ppm1   9.014 ppm2  -0.119

assign ( segid "AAAA" and  resid  36 and name HN   )
       ( segid "AAAA" and  resid  35 and name HA   )
       5.50 3.70 0.00 peak 297 volume  10.017 ppm1   7.879 ppm2   4.398

! spectrum:  motherc-run90.xpk
! using intensity strong threshold of 20.00
! using intensity medium threshold of  8.00
!
! using    strong restraint of  2.90
! using    medium restraint of  3.50
! using      weak restraint of  5.50

assign ( segid "AAAA" and  resid   1 and name HA   )
       ( segid "AAAA" and  resid   2 and name HN   )
       5.50 3.70 0.00 peak 0 volume  35.938 ppm1   4.235 ppm2   7.848

assign ( segid "AAAA" and  resid   1 and name HA   )
       ( segid "AAAA" and  resid   1 and name HB2  )
       4.00 2.20 0.00 peak 2 volume  10.573 ppm1   4.237 ppm2   1.440

assign ( segid "AAAA" and  resid   1 and name HA   )
       ( segid "AAAA" and  resid   1 and name HD2# )
       4.30 2.50 0.00 peak 3 volume  15.743 ppm1   4.233 ppm2   0.814

assign ( segid "AAAA" and  resid   1 and name HB2  )
       ( segid "AAAA" and  resid   1 and name HD2# )
       4.30 2.50 0.00 peak 4 volume   8.695 ppm1   1.500 ppm2   0.849
       OR { 4 }
       ( segid "AAAA" and  resid   1 and name HB2  )
       ( segid "AAAA" and  resid   1 and name HD2# )
       OR { 4 }
       ( segid "AAAA" and  resid   1 and name HB1  )
       ( segid "AAAA" and  resid   1 and name HD1# )

assign ( segid "AAAA" and  resid   1 and name HB1  )
       ( segid "AAAA" and  resid   1 and name HA   )
       6.00 4.20 0.00 peak 5 volume   4.095 ppm1   1.500 ppm2   4.248

assign ( segid "AAAA" and  resid   2 and name HB2  )
       ( segid "AAAA" and  resid   2 and name HA   )
       6.00 4.20 0.00 peak 6 volume   4.583 ppm1   1.237 ppm2   4.251

assign ( segid "AAAA" and  resid   2 and name HB2  )
       ( segid "AAAA" and  resid   1 and name HD1# )
       5.80 4.00 0.00 peak 7 volume   4.029 ppm1   1.244 ppm2   0.845

assign ( segid "AAAA" and  resid  30 and name HG1# )
       ( segid "AAAA" and  resid  30 and name HN   )
       4.30 2.50 0.00 peak 8 volume  12.965 ppm1   0.799 ppm2   8.529

assign ( segid "AAAA" and  resid   1 and name HD2# )
       ( segid "AAAA" and  resid   1 and name HA   )
       4.30 2.50 0.00 peak 9 volume  14.239 ppm1   0.798 ppm2   4.217

assign ( segid "AAAA" and  resid   2 and name HA   )
       ( segid "AAAA" and  resid   3 and name HN   )
       3.50 1.70 0.00 peak 10 volume  15.431 ppm1   4.235 ppm2   7.590

assign ( segid "AAAA" and  resid   2 and name HA   )
       ( segid "AAAA" and  resid  11 and name HB*  )
       5.50 3.70 0.00 peak 11 volume   3.156 ppm1   4.242 ppm2   1.858

assign ( segid "AAAA" and  resid   2 and name HA   )
       ( segid "AAAA" and  resid   2 and name HG   )
       6.00 4.20 0.00 peak 12 volume   6.218 ppm1   4.222 ppm2   1.001

assign ( segid "AAAA" and  resid   3 and name HA   )
       ( segid "AAAA" and  resid   4 and name HN   )
       3.50 1.70 0.00 peak 13 volume  11.140 ppm1   4.865 ppm2   9.156

assign ( segid "AAAA" and  resid   3 and name HA   )
       ( segid "AAAA" and  resid  11 and name HN   )
       5.50 3.70 0.00 peak 14 volume   3.756 ppm1   4.873 ppm2   8.099

assign ( segid "AAAA" and  resid   3 and name HA   )
       ( segid "AAAA" and  resid   3 and name HB1  )
       6.00 4.20 0.00 peak 15 volume   7.990 ppm1   4.865 ppm2   2.463
       OR { 15 }
       ( segid "AAAA" and  resid   3 and name HA   )
       ( segid "AAAA" and  resid   3 and name HB1  )
       OR { 15 }
       ( segid "AAAA" and  resid   3 and name HA   )
       ( segid "AAAA" and  resid   3 and name HB2  )

assign ( segid "AAAA" and  resid   3 and name HA   )
       ( segid "AAAA" and  resid  17 and name HD2# )
       5.80 4.00 0.00 peak 16 volume   1.906 ppm1   4.874 ppm2   0.464

assign ( segid "AAAA" and  resid   3 and name HB1  )
       ( segid "AAAA" and  resid  10 and name HN   )
       5.50 3.70 0.00 peak 17 volume   2.471 ppm1   2.516 ppm2   9.143
       OR { 17 }
       ( segid "AAAA" and  resid   3 and name HB1  )
       ( segid "AAAA" and  resid  10 and name HN   )
       OR { 17 }
       ( segid "AAAA" and  resid   3 and name HB1  )
       ( segid "AAAA" and  resid   4 and name HN   )

assign ( segid "AAAA" and  resid  27 and name HB*  )
       ( segid "AAAA" and  resid  27 and name HN   )
       6.00 4.20 0.00 peak 18 volume   2.626 ppm1   2.425 ppm2   9.039

assign ( segid "AAAA" and  resid   3 and name HB1  )
       ( segid "AAAA" and  resid   3 and name HN   )
       6.00 4.20 0.00 peak 19 volume   2.827 ppm1   2.512 ppm2   7.581

assign ( segid "AAAA" and  resid   3 and name HB2  )
       ( segid "AAAA" and  resid   3 and name HN   )
       6.00 4.20 0.00 peak 20 volume   2.401 ppm1   2.407 ppm2   7.562

assign ( segid "AAAA" and  resid   3 and name HB1  )
       ( segid "AAAA" and  resid   3 and name HD%  )
       6.00 4.20 0.00 peak 21 volume   2.818 ppm1   2.511 ppm2   6.921

assign ( segid "AAAA" and  resid   3 and name HB1  )
       ( segid "AAAA" and  resid   3 and name HA   )
       6.00 4.20 0.00 peak 22 volume   2.416 ppm1   2.514 ppm2   4.828

assign ( segid "AAAA" and  resid   3 and name HB2  )
       ( segid "AAAA" and  resid   3 and name HA   )
       6.00 4.20 0.00 peak 23 volume   2.015 ppm1   2.406 ppm2   4.839

assign ( segid "AAAA" and  resid   3 and name HB2  )
       ( segid "AAAA" and  resid   3 and name HD%  )
       6.00 4.20 0.00 peak 24 volume   3.590 ppm1   2.407 ppm2   6.994

assign ( segid "AAAA" and  resid   4 and name HA   )
       ( segid "AAAA" and  resid   5 and name HN   )
       3.50 1.70 0.00 peak 25 volume  12.393 ppm1   4.013 ppm2   9.610

assign ( segid "AAAA" and  resid   4 and name HA   )
       ( segid "AAAA" and  resid   4 and name HN   )
       6.00 4.20 0.00 peak 26 volume   3.090 ppm1   4.011 ppm2   9.146

assign ( segid "AAAA" and  resid   4 and name HA   )
       ( segid "AAAA" and  resid   4 and name HB2  )
       6.00 4.20 0.00 peak 27 volume   7.886 ppm1   4.014 ppm2   2.718

assign ( segid "AAAA" and  resid   4 and name HB1  )
       ( segid "AAAA" and  resid   4 and name HN   )
       6.00 4.20 0.00 peak 28 volume   4.741 ppm1   3.470 ppm2   9.160

assign ( segid "AAAA" and  resid   4 and name HB2  )
       ( segid "AAAA" and  resid   4 and name HN   )
       6.00 4.20 0.00 peak 29 volume   4.433 ppm1   2.685 ppm2   9.149

assign ( segid "AAAA" and  resid   4 and name HB1  )
       ( segid "AAAA" and  resid   9 and name HN   )
       5.50 3.70 0.00 peak 30 volume   2.422 ppm1   3.473 ppm2   8.746

assign ( segid "AAAA" and  resid   4 and name HB2  )
       ( segid "AAAA" and  resid   9 and name HN   )
       5.50 3.70 0.00 peak 31 volume   2.868 ppm1   2.673 ppm2   8.705
       OR { 31 }
       ( segid "AAAA" and  resid   4 and name HB2  )
       ( segid "AAAA" and  resid   9 and name HN   )
       OR { 31 }
       ( segid "AAAA" and  resid   4 and name HB2  )
       ( segid "AAAA" and  resid   7 and name HN   )

assign ( segid "AAAA" and  resid   4 and name HB1  )
       ( segid "AAAA" and  resid   4 and name HA   )
       6.00 4.20 0.00 peak 32 volume   3.069 ppm1   3.469 ppm2   4.003

assign ( segid "AAAA" and  resid   4 and name HB2  )
       ( segid "AAAA" and  resid   4 and name HA   )
       6.00 4.20 0.00 peak 33 volume   3.402 ppm1   2.682 ppm2   4.014

assign ( segid "AAAA" and  resid   4 and name HB1  )
       ( segid "AAAA" and  resid  17 and name HD2# )
       5.80 4.00 0.00 peak 34 volume   2.458 ppm1   3.476 ppm2   0.498

assign ( segid "AAAA" and  resid   4 and name HB2  )
       ( segid "AAAA" and  resid  17 and name HD2# )
       5.80 4.00 0.00 peak 35 volume   3.608 ppm1   2.687 ppm2   0.518

assign ( segid "AAAA" and  resid   5 and name HA   )
       ( segid "AAAA" and  resid   5 and name HN   )
       6.00 4.20 0.00 peak 36 volume   3.278 ppm1   4.415 ppm2   9.606

assign ( segid "AAAA" and  resid  18 and name HA   )
       ( segid "AAAA" and  resid  19 and name HN   )
       3.50 1.70 0.00 peak 37 volume  17.916 ppm1   4.202 ppm2   8.600

assign ( segid "AAAA" and  resid  18 and name HA   )
       ( segid "AAAA" and  resid  18 and name HN   )
       6.00 4.20 0.00 peak 38 volume   4.551 ppm1   4.200 ppm2   9.480

assign ( segid "AAAA" and  resid   6 and name HA   )
       ( segid "AAAA" and  resid   6 and name HB2  )
       4.00 2.20 0.00 peak 39 volume   8.517 ppm1   4.198 ppm2   3.139

assign ( segid "AAAA" and  resid   6 and name HA   )
       ( segid "AAAA" and  resid   6 and name HN   )
       6.00 4.20 0.00 peak 40 volume   3.911 ppm1   4.202 ppm2   9.881

assign ( segid "AAAA" and  resid   6 and name HB1  )
       ( segid "AAAA" and  resid   6 and name HN   )
       6.00 4.20 0.00 peak 41 volume   1.756 ppm1   3.929 ppm2   9.924

assign ( segid "AAAA" and  resid   6 and name HB1  )
       ( segid "AAAA" and  resid   7 and name HN   )
       5.50 3.70 0.00 peak 42 volume   2.046 ppm1   3.921 ppm2   8.677

assign ( segid "AAAA" and  resid   6 and name HB1  )
       ( segid "AAAA" and  resid   6 and name HD%  )
       6.00 4.20 0.00 peak 43 volume   2.369 ppm1   3.910 ppm2   7.392

assign ( segid "AAAA" and  resid   6 and name HB1  )
       ( segid "AAAA" and  resid   6 and name HA   )
       6.00 4.20 0.00 peak 44 volume   3.958 ppm1   3.919 ppm2   4.194

assign ( segid "AAAA" and  resid   7 and name HA   )
       ( segid "AAAA" and  resid   7 and name HN   )
       6.00 4.20 0.00 peak 45 volume   6.382 ppm1   4.984 ppm2   8.689

assign ( segid "AAAA" and  resid   7 and name HA   )
       ( segid "AAAA" and  resid   8 and name HN   )
       5.50 3.70 0.00 peak 46 volume   3.581 ppm1   4.985 ppm2   7.630

assign ( segid "AAAA" and  resid   7 and name HA   )
       ( segid "AAAA" and  resid   7 and name HB1  )
       3.40 1.60 0.00 peak 47 volume  24.040 ppm1   4.984 ppm2   3.182

assign ( segid "AAAA" and  resid   7 and name HA   )
       ( segid "AAAA" and  resid   7 and name HB2  )
       4.00 2.20 0.00 peak 48 volume  19.785 ppm1   4.984 ppm2   2.661

assign ( segid "AAAA" and  resid   7 and name HB2  )
       ( segid "AAAA" and  resid   7 and name HN   )
       6.00 4.20 0.00 peak 49 volume   3.150 ppm1   2.665 ppm2   8.686

assign ( segid "AAAA" and  resid   7 and name HB1  )
       ( segid "AAAA" and  resid   7 and name HN   )
       6.00 4.20 0.00 peak 50 volume   3.009 ppm1   3.187 ppm2   8.698

assign ( segid "AAAA" and  resid   7 and name HB1  )
       ( segid "AAAA" and  resid   7 and name HA   )
       4.00 2.20 0.00 peak 51 volume  12.246 ppm1   3.186 ppm2   4.985

assign ( segid "AAAA" and  resid   7 and name HB2  )
       ( segid "AAAA" and  resid   7 and name HA   )
       4.00 2.20 0.00 peak 52 volume  11.133 ppm1   2.654 ppm2   4.975

assign ( segid "AAAA" and  resid   8 and name HA1  )
       ( segid "AAAA" and  resid   9 and name HN   )
       5.50 3.70 0.00 peak 53 volume   3.193 ppm1   4.219 ppm2   8.743

assign ( segid "AAAA" and  resid   8 and name HA2  )
       ( segid "AAAA" and  resid   9 and name HN   )
       5.50 3.70 0.00 peak 54 volume   2.194 ppm1   3.961 ppm2   8.769

assign ( segid "AAAA" and  resid   8 and name HA1  )
       ( segid "AAAA" and  resid   8 and name HN   )
       6.00 4.20 0.00 peak 55 volume   7.501 ppm1   4.221 ppm2   7.626

assign ( segid "AAAA" and  resid   8 and name HA2  )
       ( segid "AAAA" and  resid   8 and name HN   )
       6.00 4.20 0.00 peak 56 volume   6.648 ppm1   3.953 ppm2   7.631

assign ( segid "AAAA" and  resid   9 and name HA   )
       ( segid "AAAA" and  resid  10 and name HN   )
       2.90 1.10 0.00 peak 57 volume  20.336 ppm1   4.327 ppm2   9.128

assign ( segid "AAAA" and  resid  12 and name HA   )
       ( segid "AAAA" and  resid  12 and name HN   )
       6.00 4.20 0.00 peak 58 volume   4.725 ppm1   4.790 ppm2   7.527

assign ( segid "AAAA" and  resid  12 and name HB*  )
       ( segid "AAAA" and  resid  12 and name HA   )
       6.00 4.20 0.00 peak 59 volume   6.945 ppm1   3.238 ppm2   4.770

assign ( segid "AAAA" and  resid  12 and name HB*  )
       ( segid "AAAA" and  resid  12 and name HA   )
       6.00 4.20 0.00 peak 60 volume   5.989 ppm1   2.845 ppm2   4.751

assign ( segid "AAAA" and  resid  13 and name HA   )
       ( segid "AAAA" and  resid  14 and name HN   )
       5.50 3.70 0.00 peak 61 volume   5.148 ppm1   4.434 ppm2   6.980

assign ( segid "AAAA" and  resid  14 and name HA   )
       ( segid "AAAA" and  resid  15 and name HN   )
       3.50 1.70 0.00 peak 62 volume  13.399 ppm1   4.898 ppm2   9.095

assign ( segid "AAAA" and  resid  14 and name HA   )
       ( segid "AAAA" and  resid  14 and name HN   )
       6.00 4.20 0.00 peak 63 volume   6.112 ppm1   4.899 ppm2   6.974

assign ( segid "AAAA" and  resid  14 and name HA   )
       ( segid "AAAA" and  resid  14 and name HB   )
       4.00 2.20 0.00 peak 64 volume  18.234 ppm1   4.899 ppm2   2.701

assign ( segid "AAAA" and  resid  14 and name HA   )
       ( segid "AAAA" and  resid  14 and name HG1# )
       4.30 2.50 0.00 peak 66 volume  15.336 ppm1   4.899 ppm2   0.960

assign ( segid "AAAA" and  resid  14 and name HA   )
       ( segid "AAAA" and  resid  14 and name HG2# )
       6.30 4.50 0.00 peak 67 volume   6.026 ppm1   4.900 ppm2   0.692

assign ( segid "AAAA" and  resid  14 and name HB   )
       ( segid "AAAA" and  resid  15 and name HN   )
       3.50 1.70 0.00 peak 68 volume   9.135 ppm1   2.709 ppm2   9.080

assign ( segid "AAAA" and  resid  14 and name HB   )
       ( segid "AAAA" and  resid  14 and name HA   )
       6.00 4.20 0.00 peak 69 volume   7.316 ppm1   2.707 ppm2   4.900

assign ( segid "AAAA" and  resid  14 and name HB   )
       ( segid "AAAA" and  resid  14 and name HG1# )
       6.30 4.50 0.00 peak 70 volume   6.001 ppm1   2.705 ppm2   0.987

assign ( segid "AAAA" and  resid  14 and name HB   )
       ( segid "AAAA" and  resid  14 and name HG2# )
       6.30 4.50 0.00 peak 71 volume   7.209 ppm1   2.708 ppm2   0.659

assign ( segid "AAAA" and  resid  15 and name HA   )
       ( segid "AAAA" and  resid  15 and name HN   )
       6.00 4.20 0.00 peak 72 volume   6.193 ppm1   4.247 ppm2   9.114

assign ( segid "AAAA" and  resid  15 and name HA   )
       ( segid "AAAA" and  resid  16 and name HN   )
       5.50 3.70 0.00 peak 73 volume   4.181 ppm1   4.253 ppm2   8.551

assign ( segid "AAAA" and  resid  14 and name HG1# )
       ( segid "AAAA" and  resid  14 and name HN   )
       4.30 2.50 0.00 peak 74 volume   8.279 ppm1   0.963 ppm2   6.975

assign ( segid "AAAA" and  resid  14 and name HG1# )
       ( segid "AAAA" and  resid  14 and name HA   )
       4.30 2.50 0.00 peak 75 volume  15.276 ppm1   0.961 ppm2   4.904

assign ( segid "AAAA" and  resid  15 and name HB*  )
       ( segid "AAAA" and  resid  15 and name HN   )
       6.00 4.20 0.00 peak 76 volume   5.706 ppm1   1.824 ppm2   9.079
       OR { 76 }
       ( segid "AAAA" and  resid  15 and name HB*  )
       ( segid "AAAA" and  resid  15 and name HN   )
       OR { 76 }
       ( segid "AAAA" and  resid  15 and name HB*  )
       ( segid "AAAA" and  resid  15 and name HN   )

assign ( segid "AAAA" and  resid  15 and name HB*  )
       ( segid "AAAA" and  resid  16 and name HN   )
       5.50 3.70 0.00 peak 77 volume   5.121 ppm1   1.825 ppm2   8.533
       OR { 77 }
       ( segid "AAAA" and  resid  15 and name HB*  )
       ( segid "AAAA" and  resid  16 and name HN   )
       OR { 77 }
       ( segid "AAAA" and  resid  15 and name HB*  )
       ( segid "AAAA" and  resid  16 and name HN   )

assign ( segid "AAAA" and  resid  15 and name HB*  )
       ( segid "AAAA" and  resid  15 and name HA   )
       4.00 2.20 0.00 peak 78 volume  10.300 ppm1   1.826 ppm2   4.252
       OR { 78 }
       ( segid "AAAA" and  resid  15 and name HB*  )
       ( segid "AAAA" and  resid  15 and name HA   )
       OR { 78 }
       ( segid "AAAA" and  resid  15 and name HB*  )
       ( segid "AAAA" and  resid  15 and name HA   )

assign ( segid "AAAA" and  resid  15 and name HB*  )
       ( segid "AAAA" and  resid  15 and name HD*  )
       4.00 2.20 0.00 peak 79 volume   8.032 ppm1   1.832 ppm2   3.232
       OR { 79 }
       ( segid "AAAA" and  resid  15 and name HB*  )
       ( segid "AAAA" and  resid  15 and name HD*  )
       OR { 79 }
       ( segid "AAAA" and  resid  15 and name HB*  )
       ( segid "AAAA" and  resid  15 and name HD*  )

assign ( segid "AAAA" and  resid  15 and name HB*  )
       ( segid "AAAA" and  resid  27 and name HB*  )
       5.50 3.70 0.00 peak 80 volume   4.439 ppm1   1.850 ppm2   2.678
       OR { 80 }
       ( segid "AAAA" and  resid  15 and name HB*  )
       ( segid "AAAA" and  resid  27 and name HB*  )
       OR { 80 }
       ( segid "AAAA" and  resid  15 and name HB*  )
       ( segid "AAAA" and  resid  27 and name HB*  )

assign ( segid "AAAA" and  resid  16 and name HA   )
       ( segid "AAAA" and  resid  17 and name HN   )
       2.90 1.10 0.00 peak 81 volume  24.301 ppm1   4.488 ppm2   8.451

assign ( segid "AAAA" and  resid  16 and name HA   )
       ( segid "AAAA" and  resid  16 and name HB*  )
       4.00 2.20 0.00 peak 82 volume  16.882 ppm1   4.488 ppm2   1.651
       OR { 82 }
       ( segid "AAAA" and  resid  16 and name HA   )
       ( segid "AAAA" and  resid  16 and name HB*  )
       OR { 82 }
       ( segid "AAAA" and  resid  16 and name HA   )
       ( segid "AAAA" and  resid  16 and name HB*  )

assign ( segid "AAAA" and  resid  16 and name HA   )
       ( segid "AAAA" and  resid  16 and name HG*  )
       6.00 4.20 0.00 peak 83 volume   6.791 ppm1   4.486 ppm2   1.259
       OR { 83 }
       ( segid "AAAA" and  resid  16 and name HA   )
       ( segid "AAAA" and  resid  16 and name HG*  )
       OR { 83 }
       ( segid "AAAA" and  resid  16 and name HA   )
       ( segid "AAAA" and  resid  16 and name HG*  )

assign ( segid "AAAA" and  resid  16 and name HB*  )
       ( segid "AAAA" and  resid  17 and name HN   )
       5.50 3.70 0.00 peak 84 volume   3.016 ppm1   1.624 ppm2   8.509

assign ( segid "AAAA" and  resid  16 and name HB*  )
       ( segid "AAAA" and  resid  16 and name HA   )
       6.00 4.20 0.00 peak 85 volume   4.994 ppm1   1.632 ppm2   4.498
       OR { 85 }
       ( segid "AAAA" and  resid  16 and name HB*  )
       ( segid "AAAA" and  resid  16 and name HA   )
       OR { 85 }
       ( segid "AAAA" and  resid  16 and name HB*  )
       ( segid "AAAA" and  resid  16 and name HA   )

assign ( segid "AAAA" and  resid  16 and name HB*  )
       ( segid "AAAA" and  resid  16 and name HG*  )
       4.00 2.20 0.00 peak 86 volume   9.281 ppm1   1.636 ppm2   1.261
       OR { 86 }
       ( segid "AAAA" and  resid  16 and name HB*  )
       ( segid "AAAA" and  resid  16 and name HG*  )
       OR { 86 }
       ( segid "AAAA" and  resid  16 and name HB*  )
       ( segid "AAAA" and  resid  16 and name HG*  )

assign ( segid "AAAA" and  resid  17 and name HA   )
       ( segid "AAAA" and  resid  18 and name HN   )
       5.50 3.70 0.00 peak 87 volume   7.018 ppm1   4.815 ppm2   9.420

assign ( segid "AAAA" and  resid  17 and name HA   )
       ( segid "AAAA" and  resid  17 and name HN   )
       6.00 4.20 0.00 peak 88 volume   4.614 ppm1   4.806 ppm2   8.448

assign ( segid "AAAA" and  resid  17 and name HA   )
       ( segid "AAAA" and  resid  26 and name HA   )
       5.50 3.70 0.00 peak 89 volume   5.982 ppm1   4.817 ppm2   6.001

assign ( segid "AAAA" and  resid  17 and name HA   )
       ( segid "AAAA" and  resid  17 and name HD2# )
       4.30 2.50 0.00 peak 90 volume   8.870 ppm1   4.818 ppm2   0.517
       OR { 90 }
       ( segid "AAAA" and  resid  17 and name HA   )
       ( segid "AAAA" and  resid  17 and name HD2# )
       OR { 90 }
       ( segid "AAAA" and  resid  17 and name HA   )
       ( segid "AAAA" and  resid  17 and name HD1# )

assign ( segid "AAAA" and  resid  17 and name HB*  )
       ( segid "AAAA" and  resid  17 and name HN   )
       6.00 4.20 0.00 peak 91 volume   3.696 ppm1   1.623 ppm2   8.448

assign ( segid "AAAA" and  resid  17 and name HB*  )
       ( segid "AAAA" and  resid  17 and name HA   )
       6.00 4.20 0.00 peak 92 volume   2.951 ppm1   1.623 ppm2   4.829

assign ( segid "AAAA" and  resid  17 and name HB*  )
       ( segid "AAAA" and  resid  17 and name HD1# )
       6.30 4.50 0.00 peak 93 volume   7.037 ppm1   1.621 ppm2   0.514
       OR { 93 }
       ( segid "AAAA" and  resid  17 and name HB*  )
       ( segid "AAAA" and  resid  17 and name HD1# )
       OR { 93 }
       ( segid "AAAA" and  resid  17 and name HB*  )
       ( segid "AAAA" and  resid  17 and name HD2# )

assign ( segid "AAAA" and  resid  17 and name HB*  )
       ( segid "AAAA" and  resid  17 and name HN   )
       6.00 4.20 0.00 peak 94 volume   3.794 ppm1   1.180 ppm2   8.444

assign ( segid "AAAA" and  resid  17 and name HB*  )
       ( segid "AAAA" and  resid  17 and name HA   )
       6.00 4.20 0.00 peak 95 volume   4.492 ppm1   1.186 ppm2   4.834

assign ( segid "AAAA" and  resid  17 and name HB*  )
       ( segid "AAAA" and  resid  17 and name HD1# )
       6.30 4.50 0.00 peak 96 volume   7.345 ppm1   1.182 ppm2   0.538

assign ( segid "AAAA" and  resid  17 and name HD2# )
       ( segid "AAAA" and  resid  18 and name HN   )
       5.80 4.00 0.00 peak 97 volume   3.398 ppm1   0.527 ppm2   9.416
       OR { 97 }
       ( segid "AAAA" and  resid  17 and name HD2# )
       ( segid "AAAA" and  resid  18 and name HN   )
       OR { 97 }
       ( segid "AAAA" and  resid  17 and name HD1# )
       ( segid "AAAA" and  resid  18 and name HN   )
       OR { 97 }
       ( segid "AAAA" and  resid  17 and name HD2# )
       ( segid "AAAA" and  resid  25 and name HN   )

assign ( segid "AAAA" and  resid  17 and name HD2# )
       ( segid "AAAA" and  resid  26 and name HA   )
       5.80 4.00 0.00 peak 98 volume   4.874 ppm1   0.523 ppm2   6.016
       OR { 98 }
       ( segid "AAAA" and  resid  17 and name HD2# )
       ( segid "AAAA" and  resid  26 and name HA   )
       OR { 98 }
       ( segid "AAAA" and  resid  17 and name HD1# )
       ( segid "AAAA" and  resid  26 and name HA   )

assign ( segid "AAAA" and  resid  17 and name HD2# )
       ( segid "AAAA" and  resid   4 and name HA   )
       5.80 4.00 0.00 peak 99 volume   6.976 ppm1   0.524 ppm2   4.010

assign ( segid "AAAA" and  resid  17 and name HD2# )
       ( segid "AAAA" and  resid   4 and name HB1  )
       5.80 4.00 0.00 peak 100 volume   5.133 ppm1   0.524 ppm2   3.452
       OR { 100 }
       ( segid "AAAA" and  resid  17 and name HD2# )
       ( segid "AAAA" and  resid   4 and name HB1  )
       OR { 100 }
       ( segid "AAAA" and  resid  17 and name HD1# )
       ( segid "AAAA" and  resid  26 and name HB*  )

assign ( segid "AAAA" and  resid  17 and name HD1# )
       ( segid "AAAA" and  resid  26 and name HB*  )
       3.80 2.00 0.00 peak 101 volume  10.454 ppm1   0.526 ppm2   2.778
       OR { 101 }
       ( segid "AAAA" and  resid  17 and name HD1# )
       ( segid "AAAA" and  resid  26 and name HB*  )
       OR { 101 }
       ( segid "AAAA" and  resid  17 and name HD2# )
       ( segid "AAAA" and  resid  24 and name HB*  )

assign ( segid "AAAA" and  resid  17 and name HD2# )
       ( segid "AAAA" and  resid  26 and name HA   )
       5.80 4.00 0.00 peak 102 volume   2.537 ppm1   0.480 ppm2   6.013
       OR { 102 }
       ( segid "AAAA" and  resid  17 and name HD2# )
       ( segid "AAAA" and  resid  26 and name HA   )
       OR { 102 }
       ( segid "AAAA" and  resid  17 and name HD1# )
       ( segid "AAAA" and  resid  26 and name HA   )

assign ( segid "AAAA" and  resid  17 and name HD1# )
       ( segid "AAAA" and  resid  17 and name HA   )
       6.30 4.50 0.00 peak 103 volume   5.734 ppm1   0.479 ppm2   4.825
       OR { 103 }
       ( segid "AAAA" and  resid  17 and name HD1# )
       ( segid "AAAA" and  resid  17 and name HA   )
       OR { 103 }
       ( segid "AAAA" and  resid  17 and name HD2# )
       ( segid "AAAA" and  resid   3 and name HA   )

assign ( segid "AAAA" and  resid  17 and name HD1# )
       ( segid "AAAA" and  resid  26 and name HB*  )
       5.80 4.00 0.00 peak 104 volume   4.269 ppm1   0.481 ppm2   3.431

assign ( segid "AAAA" and  resid  18 and name HB   )
       ( segid "AAAA" and  resid  18 and name HN   )
       6.00 4.20 0.00 peak 105 volume   7.155 ppm1   2.094 ppm2   9.419

assign ( segid "AAAA" and  resid  18 and name HB   )
       ( segid "AAAA" and  resid  18 and name HG2# )
       4.30 2.50 0.00 peak 106 volume   8.466 ppm1   2.093 ppm2   0.993

assign ( segid "AAAA" and  resid  18 and name HB   )
       ( segid "AAAA" and  resid  25 and name HG2# )
       3.80 2.00 0.00 peak 107 volume   8.570 ppm1   2.090 ppm2   0.670

assign ( segid "AAAA" and  resid  18 and name HG2# )
       ( segid "AAAA" and  resid  18 and name HN   )
       6.30 4.50 0.00 peak 108 volume   4.958 ppm1   0.995 ppm2   9.407

assign ( segid "AAAA" and  resid  18 and name HG2# )
       ( segid "AAAA" and  resid  19 and name HN   )
       3.80 2.00 0.00 peak 109 volume   8.601 ppm1   0.990 ppm2   8.603

assign ( segid "AAAA" and  resid  18 and name HD1# )
       ( segid "AAAA" and  resid  25 and name HN   )
       5.80 4.00 0.00 peak 110 volume   2.830 ppm1   0.801 ppm2   9.411
       OR { 110 }
       ( segid "AAAA" and  resid  18 and name HD1# )
       ( segid "AAAA" and  resid  25 and name HN   )
       OR { 110 }
       ( segid "AAAA" and  resid  18 and name HD1# )
       ( segid "AAAA" and  resid  18 and name HN   )

assign ( segid "AAAA" and  resid  19 and name HB1  )
       ( segid "AAAA" and  resid  19 and name HN   )
       4.00 2.20 0.00 peak 111 volume  17.424 ppm1   1.535 ppm2   8.576

assign ( segid "AAAA" and  resid  19 and name HB1  )
       ( segid "AAAA" and  resid  19 and name HN   )
       4.00 2.20 0.00 peak 112 volume  17.424 ppm1   1.535 ppm2   8.576

assign ( segid "AAAA" and  resid  19 and name HB1  )
       ( segid "AAAA" and  resid  19 and name HA   )
       4.00 2.20 0.00 peak 113 volume  19.242 ppm1   1.531 ppm2   4.758

assign ( segid "AAAA" and  resid  20 and name HA*  )
       ( segid "AAAA" and  resid  20 and name HN   )
       6.00 4.20 0.00 peak 114 volume   4.460 ppm1   3.120 ppm2   8.317

assign ( segid "AAAA" and  resid  21 and name HA   )
       ( segid "AAAA" and  resid  22 and name HN   )
       5.50 3.70 0.00 peak 115 volume   3.482 ppm1   4.443 ppm2   8.170

assign ( segid "AAAA" and  resid  21 and name HA   )
       ( segid "AAAA" and  resid  23 and name HN   )
       5.50 3.70 0.00 peak 116 volume   1.802 ppm1   4.442 ppm2   6.407

assign ( segid "AAAA" and  resid  23 and name HA   )
       ( segid "AAAA" and  resid  24 and name HN   )
       3.50 1.70 0.00 peak 117 volume  16.703 ppm1   4.276 ppm2   8.662

assign ( segid "AAAA" and  resid  23 and name HA   )
       ( segid "AAAA" and  resid  23 and name HN   )
       6.00 4.20 0.00 peak 118 volume   4.006 ppm1   4.274 ppm2   6.445

assign ( segid "AAAA" and  resid  23 and name HB   )
       ( segid "AAAA" and  resid  24 and name HN   )
       5.50 3.70 0.00 peak 119 volume   6.482 ppm1   1.720 ppm2   8.674

assign ( segid "AAAA" and  resid  23 and name HB   )
       ( segid "AAAA" and  resid  23 and name HA   )
       4.00 2.20 0.00 peak 120 volume   9.617 ppm1   1.723 ppm2   4.273

assign ( segid "AAAA" and  resid  23 and name HB   )
       ( segid "AAAA" and  resid   6 and name HE%  )
       5.50 3.70 0.00 peak 121 volume   1.802 ppm1   1.718 ppm2   7.029
       OR { 121 }
       ( segid "AAAA" and  resid  23 and name HB   )
       ( segid "AAAA" and  resid   6 and name HE%  )
       OR { 121 }
       ( segid "AAAA" and  resid   9 and name HB2  )
       ( segid "AAAA" and  resid  14 and name HN   )

assign ( segid "AAAA" and  resid  23 and name HB   )
       ( segid "AAAA" and  resid  23 and name HN   )
       6.00 4.20 0.00 peak 122 volume   1.766 ppm1   1.728 ppm2   6.398

assign ( segid "AAAA" and  resid  23 and name HG1# )
       ( segid "AAAA" and  resid  24 and name HN   )
       5.80 4.00 0.00 peak 123 volume   3.283 ppm1   0.261 ppm2   8.662

assign ( segid "AAAA" and  resid  23 and name HG1# )
       ( segid "AAAA" and  resid  23 and name HN   )
       6.30 4.50 0.00 peak 124 volume   4.268 ppm1   0.252 ppm2   6.446

assign ( segid "AAAA" and  resid  23 and name HG2# )
       ( segid "AAAA" and  resid  24 and name HN   )
       5.80 4.00 0.00 peak 125 volume   4.858 ppm1   0.083 ppm2   8.661

assign ( segid "AAAA" and  resid  23 and name HG2# )
       ( segid "AAAA" and  resid  23 and name HN   )
       6.30 4.50 0.00 peak 126 volume   4.455 ppm1   0.084 ppm2   6.443

assign ( segid "AAAA" and  resid  23 and name HG2# )
       ( segid "AAAA" and  resid  22 and name HB*  )
       3.80 2.00 0.00 peak 127 volume  12.183 ppm1   0.084 ppm2   4.142
       OR { 127 }
       ( segid "AAAA" and  resid  23 and name HG2# )
       ( segid "AAAA" and  resid  22 and name HB*  )
       OR { 127 }
       ( segid "AAAA" and  resid  23 and name HG2# )
       ( segid "AAAA" and  resid  22 and name HB*  )

assign ( segid "AAAA" and  resid  23 and name HG2# )
       ( segid "AAAA" and  resid  20 and name HA*  )
       5.80 4.00 0.00 peak 128 volume   3.713 ppm1   0.085 ppm2   3.154

assign ( segid "AAAA" and  resid  23 and name HG2# )
       ( segid "AAAA" and  resid  21 and name HB*  )
       5.80 4.00 0.00 peak 129 volume   3.429 ppm1   0.088 ppm2   2.098
       OR { 129 }
       ( segid "AAAA" and  resid  23 and name HG2# )
       ( segid "AAAA" and  resid  21 and name HB*  )
       OR { 129 }
       ( segid "AAAA" and  resid  23 and name HG2# )
       ( segid "AAAA" and  resid  21 and name HB*  )

assign ( segid "AAAA" and  resid  24 and name HA   )
       ( segid "AAAA" and  resid  25 and name HN   )
       3.50 1.70 0.00 peak 130 volume  14.448 ppm1   5.676 ppm2   9.392

assign ( segid "AAAA" and  resid  24 and name HA   )
       ( segid "AAAA" and  resid  24 and name HN   )
       6.00 4.20 0.00 peak 131 volume   3.400 ppm1   5.676 ppm2   8.654

assign ( segid "AAAA" and  resid  24 and name HA   )
       ( segid "AAAA" and  resid  20 and name HN   )
       5.50 3.70 0.00 peak 132 volume   3.827 ppm1   5.678 ppm2   8.327

assign ( segid "AAAA" and  resid  24 and name HA   )
       ( segid "AAAA" and  resid  24 and name HD%  )
       6.00 4.20 0.00 peak 133 volume   5.405 ppm1   5.678 ppm2   7.000

assign ( segid "AAAA" and  resid  24 and name HA   )
       ( segid "AAAA" and  resid  19 and name HA   )
       5.50 3.70 0.00 peak 134 volume   5.543 ppm1   5.679 ppm2   4.767

assign ( segid "AAAA" and  resid  24 and name HA   )
       ( segid "AAAA" and  resid  24 and name HB*  )
       6.00 4.20 0.00 peak 135 volume   4.738 ppm1   5.679 ppm2   3.271

assign ( segid "AAAA" and  resid  24 and name HA   )
       ( segid "AAAA" and  resid  24 and name HB*  )
       6.00 4.20 0.00 peak 136 volume   6.981 ppm1   5.676 ppm2   2.779

assign ( segid "AAAA" and  resid  24 and name HB*  )
       ( segid "AAAA" and  resid  18 and name HN   )
       5.50 3.70 0.00 peak 137 volume   2.177 ppm1   3.254 ppm2   9.489

assign ( segid "AAAA" and  resid  24 and name HB*  )
       ( segid "AAAA" and  resid  18 and name HN   )
       5.50 3.70 0.00 peak 138 volume   1.637 ppm1   2.772 ppm2   9.443
       OR { 138 }
       ( segid "AAAA" and  resid  24 and name HB*  )
       ( segid "AAAA" and  resid  18 and name HN   )
       OR { 138 }
       ( segid "AAAA" and  resid  24 and name HB*  )
       ( segid "AAAA" and  resid  25 and name HN   )

assign ( segid "AAAA" and  resid  24 and name HB*  )
       ( segid "AAAA" and  resid  24 and name HN   )
       6.00 4.20 0.00 peak 139 volume   2.371 ppm1   3.250 ppm2   8.652

assign ( segid "AAAA" and  resid  24 and name HB*  )
       ( segid "AAAA" and  resid  24 and name HD%  )
       6.00 4.20 0.00 peak 140 volume   3.377 ppm1   3.253 ppm2   6.935

assign ( segid "AAAA" and  resid  24 and name HB*  )
       ( segid "AAAA" and  resid  24 and name HE%  )
       6.00 4.20 0.00 peak 141 volume   3.519 ppm1   2.783 ppm2   6.968
       OR { 141 }
       ( segid "AAAA" and  resid  24 and name HB*  )
       ( segid "AAAA" and  resid  24 and name HE%  )
       OR { 141 }
       ( segid "AAAA" and  resid  24 and name HB*  )
       ( segid "AAAA" and  resid  24 and name HD%  )

assign ( segid "AAAA" and  resid  24 and name HB*  )
       ( segid "AAAA" and  resid  24 and name HA   )
       6.00 4.20 0.00 peak 142 volume   2.195 ppm1   3.244 ppm2   5.723

assign ( segid "AAAA" and  resid  24 and name HB*  )
       ( segid "AAAA" and  resid  24 and name HA   )
       6.00 4.20 0.00 peak 143 volume   3.411 ppm1   2.782 ppm2   5.679

assign ( segid "AAAA" and  resid  25 and name HA   )
       ( segid "AAAA" and  resid  25 and name HN   )
       6.00 4.20 0.00 peak 144 volume   3.158 ppm1   6.133 ppm2   9.414

assign ( segid "AAAA" and  resid  25 and name HA   )
       ( segid "AAAA" and  resid  26 and name HN   )
       3.50 1.70 0.00 peak 145 volume  12.114 ppm1   6.130 ppm2   9.018

assign ( segid "AAAA" and  resid  25 and name HA   )
       ( segid "AAAA" and  resid   6 and name HD%  )
       5.50 3.70 0.00 peak 146 volume   2.306 ppm1   6.131 ppm2   7.418

assign ( segid "AAAA" and  resid  25 and name HA   )
       ( segid "AAAA" and  resid   6 and name HD%  )
       5.50 3.70 0.00 peak 147 volume   2.306 ppm1   6.131 ppm2   7.418

assign ( segid "AAAA" and  resid  25 and name HA   )
       ( segid "AAAA" and  resid   4 and name HA   )
       5.50 3.70 0.00 peak 148 volume   2.238 ppm1   6.137 ppm2   3.999

assign ( segid "AAAA" and  resid  25 and name HA   )
       ( segid "AAAA" and  resid   6 and name HB2  )
       5.50 3.70 0.00 peak 149 volume   2.401 ppm1   6.129 ppm2   3.083
       OR { 149 }
       ( segid "AAAA" and  resid  25 and name HA   )
       ( segid "AAAA" and  resid   6 and name HB2  )
       OR { 149 }
       ( segid "AAAA" and  resid  25 and name HA   )
       ( segid "AAAA" and  resid  29 and name HB*  )

assign ( segid "AAAA" and  resid  25 and name HA   )
       ( segid "AAAA" and  resid  25 and name HB   )
       6.00 4.20 0.00 peak 150 volume   7.124 ppm1   6.132 ppm2   1.831

assign ( segid "AAAA" and  resid  25 and name HA   )
       ( segid "AAAA" and  resid  25 and name HG11 )
       6.00 4.20 0.00 peak 151 volume   4.490 ppm1   6.132 ppm2   1.515

assign ( segid "AAAA" and  resid  25 and name HA   )
       ( segid "AAAA" and  resid  25 and name HG2# )
       6.30 4.50 0.00 peak 152 volume   4.197 ppm1   6.130 ppm2   0.644

assign ( segid "AAAA" and  resid  25 and name HA   )
       ( segid "AAAA" and  resid  25 and name HD1# )
       6.30 4.50 0.00 peak 153 volume   2.837 ppm1   6.127 ppm2  -0.135

assign ( segid "AAAA" and  resid  32 and name HB*  )
       ( segid "AAAA" and  resid  33 and name HN   )
       5.50 3.70 0.00 peak 154 volume   3.819 ppm1   1.831 ppm2   8.327

assign ( segid "AAAA" and  resid  32 and name HB*  )
       ( segid "AAAA" and  resid  32 and name HN   )
       4.00 2.20 0.00 peak 155 volume   8.235 ppm1   1.828 ppm2   7.553

assign ( segid "AAAA" and  resid  25 and name HB   )
       ( segid "AAAA" and  resid   6 and name HE%  )
       5.50 3.70 0.00 peak 156 volume   4.620 ppm1   1.826 ppm2   7.047
       OR { 156 }
       ( segid "AAAA" and  resid  25 and name HB   )
       ( segid "AAAA" and  resid   6 and name HE%  )
       OR { 156 }
       ( segid "AAAA" and  resid  25 and name HB   )
       ( segid "AAAA" and  resid   6 and name HZ   )

assign ( segid "AAAA" and  resid  25 and name HB   )
       ( segid "AAAA" and  resid  25 and name HA   )
       6.00 4.20 0.00 peak 157 volume   3.655 ppm1   1.820 ppm2   6.141

assign ( segid "AAAA" and  resid  32 and name HB*  )
       ( segid "AAAA" and  resid  32 and name HD1# )
       6.30 4.50 0.00 peak 158 volume   6.502 ppm1   1.840 ppm2   0.995
       OR { 158 }
       ( segid "AAAA" and  resid  32 and name HB*  )
       ( segid "AAAA" and  resid  32 and name HD1# )
       OR { 158 }
       ( segid "AAAA" and  resid  32 and name HB*  )
       ( segid "AAAA" and  resid  32 and name HD1# )

assign ( segid "AAAA" and  resid  25 and name HB   )
       ( segid "AAAA" and  resid  25 and name HG2# )
       6.30 4.50 0.00 peak 159 volume   4.652 ppm1   1.833 ppm2   0.630

assign ( segid "AAAA" and  resid  25 and name HB   )
       ( segid "AAAA" and  resid  25 and name HD1# )
       6.30 4.50 0.00 peak 160 volume   4.332 ppm1   1.830 ppm2  -0.125

assign ( segid "AAAA" and  resid  25 and name HG2# )
       ( segid "AAAA" and  resid  18 and name HN   )
       3.80 2.00 0.00 peak 161 volume  13.289 ppm1   0.632 ppm2   9.399
       OR { 161 }
       ( segid "AAAA" and  resid  25 and name HG2# )
       ( segid "AAAA" and  resid  18 and name HN   )
       OR { 161 }
       ( segid "AAAA" and  resid  25 and name HG2# )
       ( segid "AAAA" and  resid  25 and name HN   )

assign ( segid "AAAA" and  resid  25 and name HG2# )
       ( segid "AAAA" and  resid  17 and name HA   )
       5.80 4.00 0.00 peak 162 volume   1.639 ppm1   0.638 ppm2   4.854

assign ( segid "AAAA" and  resid  25 and name HD1# )
       ( segid "AAAA" and  resid  25 and name HN   )
       6.30 4.50 0.00 peak 163 volume   1.647 ppm1  -0.120 ppm2   9.373

assign ( segid "AAAA" and  resid  25 and name HD1# )
       ( segid "AAAA" and  resid  26 and name HN   )
       5.80 4.00 0.00 peak 164 volume   1.734 ppm1  -0.123 ppm2   9.032

assign ( segid "AAAA" and  resid  25 and name HD1# )
       ( segid "AAAA" and  resid  30 and name HN   )
       5.80 4.00 0.00 peak 165 volume   2.122 ppm1  -0.125 ppm2   8.517

assign ( segid "AAAA" and  resid  25 and name HD1# )
       ( segid "AAAA" and  resid  31 and name HN   )
       5.80 4.00 0.00 peak 166 volume   2.364 ppm1  -0.128 ppm2   7.442

assign ( segid "AAAA" and  resid  25 and name HD1# )
       ( segid "AAAA" and  resid  25 and name HA   )
       6.30 4.50 0.00 peak 167 volume   3.045 ppm1  -0.126 ppm2   6.138

assign ( segid "AAAA" and  resid  25 and name HD1# )
       ( segid "AAAA" and  resid  29 and name HA   )
       5.80 4.00 0.00 peak 168 volume   2.938 ppm1  -0.124 ppm2   4.011

assign ( segid "AAAA" and  resid  25 and name HD1# )
       ( segid "AAAA" and  resid  25 and name HB   )
       4.30 2.50 0.00 peak 169 volume  10.321 ppm1  -0.127 ppm2   1.839

assign ( segid "AAAA" and  resid  25 and name HD1# )
       ( segid "AAAA" and  resid  25 and name HG11 )
       4.30 2.50 0.00 peak 170 volume  10.325 ppm1  -0.127 ppm2   1.519
       OR { 170 }
       ( segid "AAAA" and  resid  25 and name HD1# )
       ( segid "AAAA" and  resid  25 and name HG11 )
       OR { 170 }
       ( segid "AAAA" and  resid  25 and name HD1# )
       ( segid "AAAA" and  resid  25 and name HG12 )

assign ( segid "AAAA" and  resid  26 and name HA   )
       ( segid "AAAA" and  resid  18 and name HN   )
       5.50 3.70 0.00 peak 171 volume   3.356 ppm1   5.983 ppm2   9.427

assign ( segid "AAAA" and  resid  26 and name HA   )
       ( segid "AAAA" and  resid  26 and name HN   )
       4.00 2.20 0.00 peak 172 volume  11.526 ppm1   5.984 ppm2   9.006
       OR { 172 }
       ( segid "AAAA" and  resid  26 and name HA   )
       ( segid "AAAA" and  resid  26 and name HN   )
       OR { 172 }
       ( segid "AAAA" and  resid  26 and name HA   )
       ( segid "AAAA" and  resid  27 and name HN   )

assign ( segid "AAAA" and  resid  26 and name HA   )
       ( segid "AAAA" and  resid  30 and name HN   )
       5.50 3.70 0.00 peak 173 volume   1.654 ppm1   5.984 ppm2   8.512
       OR { 173 }
       ( segid "AAAA" and  resid  26 and name HA   )
       ( segid "AAAA" and  resid  30 and name HN   )
       OR { 173 }
       ( segid "AAAA" and  resid  26 and name HA   )
       ( segid "AAAA" and  resid  17 and name HN   )
       OR { 173 }
       ( segid "AAAA" and  resid  26 and name HA   )
       ( segid "AAAA" and  resid  16 and name HN   )

assign ( segid "AAAA" and  resid  26 and name HA   )
       ( segid "AAAA" and  resid  17 and name HA   )
       3.50 1.70 0.00 peak 174 volume  10.447 ppm1   5.986 ppm2   4.824

assign ( segid "AAAA" and  resid  26 and name HA   )
       ( segid "AAAA" and  resid  26 and name HB*  )
       6.00 4.20 0.00 peak 175 volume   7.785 ppm1   5.985 ppm2   3.480

assign ( segid "AAAA" and  resid  26 and name HA   )
       ( segid "AAAA" and  resid  26 and name HB*  )
       4.00 2.20 0.00 peak 176 volume   8.585 ppm1   5.985 ppm2   2.797

assign ( segid "AAAA" and  resid  26 and name HA   )
       ( segid "AAAA" and  resid  16 and name HB*  )
       5.50 3.70 0.00 peak 177 volume   2.068 ppm1   5.988 ppm2   1.602
       OR { 177 }
       ( segid "AAAA" and  resid  26 and name HA   )
       ( segid "AAAA" and  resid  16 and name HB*  )
       OR { 177 }
       ( segid "AAAA" and  resid  26 and name HA   )
       ( segid "AAAA" and  resid   9 and name HG1  )
       OR { 177 }
       ( segid "AAAA" and  resid  26 and name HA   )
       ( segid "AAAA" and  resid  17 and name HB*  )

assign ( segid "AAAA" and  resid  26 and name HB*  )
       ( segid "AAAA" and  resid  26 and name HN   )
       6.00 4.20 0.00 peak 178 volume   4.667 ppm1   3.471 ppm2   9.021
       OR { 178 }
       ( segid "AAAA" and  resid  26 and name HB*  )
       ( segid "AAAA" and  resid  26 and name HN   )
       OR { 178 }
       ( segid "AAAA" and  resid  26 and name HB*  )
       ( segid "AAAA" and  resid  27 and name HN   )

assign ( segid "AAAA" and  resid  26 and name HB*  )
       ( segid "AAAA" and  resid  26 and name HN   )
       6.00 4.20 0.00 peak 179 volume   4.487 ppm1   2.822 ppm2   9.018

assign ( segid "AAAA" and  resid  26 and name HB*  )
       ( segid "AAAA" and  resid  26 and name HA   )
       6.00 4.20 0.00 peak 180 volume   3.183 ppm1   3.471 ppm2   5.971

assign ( segid "AAAA" and  resid  26 and name HB*  )
       ( segid "AAAA" and  resid  26 and name HA   )
       6.00 4.20 0.00 peak 181 volume   3.442 ppm1   2.816 ppm2   6.001

assign ( segid "AAAA" and  resid  27 and name HA   )
       ( segid "AAAA" and  resid  28 and name HN   )
       5.50 3.70 0.00 peak 184 volume   3.910 ppm1   4.643 ppm2   8.192

assign ( segid "AAAA" and  resid  27 and name HB*  )
       ( segid "AAAA" and  resid  27 and name HN   )
       6.00 4.20 0.00 peak 185 volume   2.666 ppm1   2.689 ppm2   9.017

assign ( segid "AAAA" and  resid  27 and name HB*  )
       ( segid "AAAA" and  resid  27 and name HN   )
       6.00 4.20 0.00 peak 186 volume   2.846 ppm1   2.418 ppm2   9.046

assign ( segid "AAAA" and  resid  35 and name HB*  )
       ( segid "AAAA" and  resid  35 and name HN   )
       6.00 4.20 0.00 peak 187 volume   7.396 ppm1   2.698 ppm2   7.812

assign ( segid "AAAA" and  resid  27 and name HB*  )
       ( segid "AAAA" and  resid  16 and name HB*  )
       5.50 3.70 0.00 peak 188 volume   4.416 ppm1   2.693 ppm2   1.618
       OR { 188 }
       ( segid "AAAA" and  resid  27 and name HB*  )
       ( segid "AAAA" and  resid  16 and name HB*  )
       OR { 188 }
       ( segid "AAAA" and  resid  27 and name HB*  )
       ( segid "AAAA" and  resid  16 and name HB*  )

assign ( segid "AAAA" and  resid  27 and name HB*  )
       ( segid "AAAA" and  resid  16 and name HB*  )
       5.50 3.70 0.00 peak 189 volume   3.705 ppm1   2.428 ppm2   1.629
       OR { 189 }
       ( segid "AAAA" and  resid  27 and name HB*  )
       ( segid "AAAA" and  resid  16 and name HB*  )
       OR { 189 }
       ( segid "AAAA" and  resid  27 and name HB*  )
       ( segid "AAAA" and  resid  16 and name HB*  )

assign ( segid "AAAA" and  resid  27 and name HB*  )
       ( segid "AAAA" and  resid  30 and name HG1# )
       5.80 4.00 0.00 peak 190 volume   3.123 ppm1   2.428 ppm2   0.789
       OR { 190 }
       ( segid "AAAA" and  resid  27 and name HB*  )
       ( segid "AAAA" and  resid  30 and name HG1# )
       OR { 190 }
       ( segid "AAAA" and  resid   3 and name HB2  )
       ( segid "AAAA" and  resid   1 and name HD1# )

assign ( segid "AAAA" and  resid  29 and name HA   )
       ( segid "AAAA" and  resid  29 and name HN   )
       6.00 4.20 0.00 peak 191 volume   4.661 ppm1   4.025 ppm2   9.190

assign ( segid "AAAA" and  resid  29 and name HA   )
       ( segid "AAAA" and  resid  32 and name HN   )
       5.50 3.70 0.00 peak 192 volume   5.324 ppm1   4.023 ppm2   7.548

assign ( segid "AAAA" and  resid  29 and name HA   )
       ( segid "AAAA" and  resid  29 and name HB*  )
       6.00 4.20 0.00 peak 193 volume   5.056 ppm1   4.021 ppm2   3.062

assign ( segid "AAAA" and  resid  29 and name HA   )
       ( segid "AAAA" and  resid  29 and name HB*  )
       6.00 4.20 0.00 peak 194 volume   7.954 ppm1   4.022 ppm2   2.537

assign ( segid "AAAA" and  resid  29 and name HA   )
       ( segid "AAAA" and  resid  32 and name HD1# )
       5.80 4.00 0.00 peak 195 volume   4.769 ppm1   4.019 ppm2   0.991

assign ( segid "AAAA" and  resid  29 and name HB*  )
       ( segid "AAAA" and  resid  29 and name HN   )
       6.00 4.20 0.00 peak 196 volume   3.089 ppm1   3.035 ppm2   9.177

assign ( segid "AAAA" and  resid  29 and name HB*  )
       ( segid "AAAA" and  resid  29 and name HN   )
       6.00 4.20 0.00 peak 197 volume   3.204 ppm1   2.523 ppm2   9.165

assign ( segid "AAAA" and  resid  29 and name HB*  )
       ( segid "AAAA" and  resid  29 and name HN   )
       6.00 4.20 0.00 peak 198 volume   3.204 ppm1   2.523 ppm2   9.165

assign ( segid "AAAA" and  resid  29 and name HB*  )
       ( segid "AAAA" and  resid  29 and name HA   )
       6.00 4.20 0.00 peak 199 volume   3.008 ppm1   3.025 ppm2   4.025

assign ( segid "AAAA" and  resid  29 and name HB*  )
       ( segid "AAAA" and  resid  29 and name HA   )
       6.00 4.20 0.00 peak 200 volume   5.230 ppm1   2.531 ppm2   4.020

assign ( segid "AAAA" and  resid  29 and name HB*  )
       ( segid "AAAA" and  resid  25 and name HD1# )
       5.80 4.00 0.00 peak 201 volume   1.875 ppm1   3.034 ppm2  -0.087

assign ( segid "AAAA" and  resid  29 and name HB*  )
       ( segid "AAAA" and  resid  25 and name HD1# )
       5.80 4.00 0.00 peak 202 volume   3.166 ppm1   2.526 ppm2  -0.146

assign ( segid "AAAA" and  resid  30 and name HA   )
       ( segid "AAAA" and  resid  34 and name HN   )
       5.50 3.70 0.00 peak 203 volume   5.997 ppm1   3.191 ppm2   8.521
       OR { 203 }
       ( segid "AAAA" and  resid  30 and name HA   )
       ( segid "AAAA" and  resid  34 and name HN   )
       OR { 203 }
       ( segid "AAAA" and  resid  30 and name HA   )
       ( segid "AAAA" and  resid  30 and name HN   )

assign ( segid "AAAA" and  resid  30 and name HA   )
       ( segid "AAAA" and  resid  31 and name HN   )
       5.50 3.70 0.00 peak 204 volume   2.582 ppm1   3.197 ppm2   7.478

assign ( segid "AAAA" and  resid  30 and name HA   )
       ( segid "AAAA" and  resid  30 and name HB   )
       6.00 4.20 0.00 peak 205 volume   4.202 ppm1   3.194 ppm2   1.968

assign ( segid "AAAA" and  resid  30 and name HA   )
       ( segid "AAAA" and  resid  25 and name HD1# )
       5.80 4.00 0.00 peak 206 volume   3.616 ppm1   3.195 ppm2  -0.107

assign ( segid "AAAA" and  resid  30 and name HB   )
       ( segid "AAAA" and  resid  30 and name HN   )
       6.00 4.20 0.00 peak 207 volume   6.324 ppm1   1.950 ppm2   8.540

assign ( segid "AAAA" and  resid  30 and name HB   )
       ( segid "AAAA" and  resid  31 and name HN   )
       5.50 3.70 0.00 peak 208 volume   4.789 ppm1   1.957 ppm2   7.487

assign ( segid "AAAA" and  resid  30 and name HG2# )
       ( segid "AAAA" and  resid  30 and name HN   )
       6.30 4.50 0.00 peak 209 volume   6.604 ppm1   0.725 ppm2   8.515

assign ( segid "AAAA" and  resid  31 and name HA   )
       ( segid "AAAA" and  resid  34 and name HN   )
       5.50 3.70 0.00 peak 210 volume   3.820 ppm1   4.471 ppm2   8.498

assign ( segid "AAAA" and  resid  31 and name HA   )
       ( segid "AAAA" and  resid  35 and name HN   )
       5.50 3.70 0.00 peak 211 volume   6.466 ppm1   4.469 ppm2   7.824

assign ( segid "AAAA" and  resid  31 and name HB*  )
       ( segid "AAAA" and  resid  31 and name HN   )
       4.00 2.20 0.00 peak 212 volume  11.030 ppm1   2.866 ppm2   7.493

assign ( segid "AAAA" and  resid  31 and name HB*  )
       ( segid "AAAA" and  resid  31 and name HN   )
       4.00 2.20 0.00 peak 213 volume  11.560 ppm1   2.750 ppm2   7.495

assign ( segid "AAAA" and  resid  31 and name HB*  )
       ( segid "AAAA" and  resid  31 and name HA   )
       6.00 4.20 0.00 peak 214 volume   6.864 ppm1   2.867 ppm2   4.460

assign ( segid "AAAA" and  resid  31 and name HB*  )
       ( segid "AAAA" and  resid  31 and name HA   )
       4.00 2.20 0.00 peak 215 volume   9.425 ppm1   2.747 ppm2   4.464

assign ( segid "AAAA" and  resid  33 and name HA   )
       ( segid "AAAA" and  resid  33 and name HN   )
       6.00 4.20 0.00 peak 216 volume   5.948 ppm1   3.917 ppm2   8.323

assign ( segid "AAAA" and  resid  33 and name HA   )
       ( segid "AAAA" and  resid  36 and name HN   )
       5.50 3.70 0.00 peak 217 volume   3.327 ppm1   3.923 ppm2   7.910

assign ( segid "AAAA" and  resid  33 and name HA   )
       ( segid "AAAA" and  resid  36 and name HB   )
       3.50 1.70 0.00 peak 218 volume   9.545 ppm1   3.929 ppm2   1.941

assign ( segid "AAAA" and  resid  33 and name HB*  )
       ( segid "AAAA" and  resid  33 and name HN   )
       6.00 4.20 0.00 peak 219 volume   2.689 ppm1   3.235 ppm2   8.350

assign ( segid "AAAA" and  resid  34 and name HA   )
       ( segid "AAAA" and  resid  34 and name HB*  )
       6.00 4.20 0.00 peak 220 volume   7.816 ppm1   4.299 ppm2   3.006

assign ( segid "AAAA" and  resid  34 and name HB*  )
       ( segid "AAAA" and  resid  34 and name HN   )
       6.00 4.20 0.00 peak 221 volume   4.449 ppm1   3.021 ppm2   8.479

assign ( segid "AAAA" and  resid  34 and name HB*  )
       ( segid "AAAA" and  resid  34 and name HN   )
       6.00 4.20 0.00 peak 222 volume   4.259 ppm1   2.655 ppm2   8.484

assign ( segid "AAAA" and  resid  34 and name HB*  )
       ( segid "AAAA" and  resid  35 and name HN   )
       5.50 3.70 0.00 peak 223 volume   4.015 ppm1   3.018 ppm2   7.781

assign ( segid "AAAA" and  resid  34 and name HB*  )
       ( segid "AAAA" and  resid  35 and name HN   )
       5.50 3.70 0.00 peak 224 volume   4.629 ppm1   2.652 ppm2   7.796

assign ( segid "AAAA" and  resid  34 and name HB*  )
       ( segid "AAAA" and  resid  34 and name HD2% )
       6.00 4.20 0.00 peak 225 volume   4.026 ppm1   2.648 ppm2   7.522

assign ( segid "AAAA" and  resid  34 and name HB*  )
       ( segid "AAAA" and  resid  35 and name HA   )
       5.50 3.70 0.00 peak 226 volume   5.808 ppm1   3.017 ppm2   4.381

assign ( segid "AAAA" and  resid  34 and name HB*  )
       ( segid "AAAA" and  resid  34 and name HA   )
       4.00 2.20 0.00 peak 227 volume   8.399 ppm1   2.649 ppm2   4.335

assign ( segid "AAAA" and  resid  35 and name HB*  )
       ( segid "AAAA" and  resid  35 and name HN   )
       6.00 4.20 0.00 peak 228 volume   7.008 ppm1   2.954 ppm2   7.814

assign ( segid "AAAA" and  resid  35 and name HB*  )
       ( segid "AAAA" and  resid  35 and name HN   )
       4.00 2.20 0.00 peak 229 volume   9.540 ppm1   2.698 ppm2   7.808

assign ( segid "AAAA" and  resid  35 and name HA   )
       ( segid "AAAA" and  resid  35 and name HN   )
       4.00 2.20 0.00 peak 230 volume  10.694 ppm1   4.394 ppm2   7.802

assign ( segid "AAAA" and  resid  35 and name HA   )
       ( segid "AAAA" and  resid  35 and name HB*  )
       4.00 2.20 0.00 peak 231 volume  14.817 ppm1   4.393 ppm2   2.718

assign ( segid "AAAA" and  resid  36 and name HA   )
       ( segid "AAAA" and  resid  37 and name HN   )
       5.50 3.70 0.00 peak 232 volume   2.346 ppm1   3.768 ppm2   8.301

assign ( segid "AAAA" and  resid  36 and name HA   )
       ( segid "AAAA" and  resid  36 and name HN   )
       4.00 2.20 0.00 peak 233 volume   9.039 ppm1   3.757 ppm2   7.869

assign ( segid "AAAA" and  resid  36 and name HB   )
       ( segid "AAAA" and  resid  37 and name HN   )
       5.50 3.70 0.00 peak 234 volume   7.308 ppm1   1.963 ppm2   8.237

assign ( segid "AAAA" and  resid  36 and name HB   )
       ( segid "AAAA" and  resid  36 and name HN   )
       4.00 2.20 0.00 peak 235 volume   9.314 ppm1   1.956 ppm2   7.914

assign ( segid "AAAA" and  resid  36 and name HB   )
       ( segid "AAAA" and  resid  36 and name HD1# )
       3.70 1.90 0.00 peak 236 volume  31.983 ppm1   1.962 ppm2   0.881
       OR { 236 }
       ( segid "AAAA" and  resid  36 and name HB   )
       ( segid "AAAA" and  resid  36 and name HD1# )
       OR { 236 }
       ( segid "AAAA" and  resid  36 and name HB   )
       ( segid "AAAA" and  resid  36 and name HG2# )

assign ( segid "AAAA" and  resid  37 and name HA   )
       ( segid "AAAA" and  resid  38 and name HN   )
       5.50 3.70 0.00 peak 238 volume   2.681 ppm1   4.164 ppm2   7.977

assign ( segid "AAAA" and  resid  38 and name HA   )
       ( segid "AAAA" and  resid  38 and name HN   )
       4.00 2.20 0.00 peak 239 volume   9.213 ppm1   4.089 ppm2   8.051

assign ( segid "AAAA" and  resid  38 and name HA   )
       ( segid "AAAA" and  resid  38 and name HN   )
       4.00 2.20 0.00 peak 240 volume   9.213 ppm1   4.089 ppm2   8.051

assign ( segid "AAAA" and  resid  36 and name HD1# )
       ( segid "AAAA" and  resid  36 and name HN   )
       6.30 4.50 0.00 peak 241 volume   5.044 ppm1   0.895 ppm2   7.879

assign ( segid "AAAA" and  resid  37 and name HD1# )
       ( segid "AAAA" and  resid  37 and name HN   )
       6.30 4.50 0.00 peak 242 volume   5.178 ppm1   0.791 ppm2   8.308

assign ( segid "AAAA" and  resid  38 and name HA   )
       ( segid "AAAA" and  resid  38 and name HN   )
       4.00 2.20 0.00 peak 243 volume   9.213 ppm1   4.089 ppm2   8.051

assign ( segid "AAAA" and  resid  28 and name HA   )
       ( segid "AAAA" and  resid  32 and name HN   )
       3.50 1.70 0.00 peak 244 volume  10.310 ppm1   4.191 ppm2   7.557

assign ( segid "AAAA" and  resid   2 and name HD2# )
       ( segid "AAAA" and  resid   2 and name HN   )
       6.30 4.50 0.00 peak 245 volume   4.781 ppm1   0.547 ppm2   7.819

assign ( segid "AAAA" and  resid   2 and name HD2# )
       ( segid "AAAA" and  resid  11 and name HE2% )
       5.80 4.00 0.00 peak 246 volume   6.347 ppm1   0.549 ppm2   6.765

assign ( segid "AAAA" and  resid   2 and name HD2# )
       ( segid "AAAA" and  resid  11 and name HG*  )
       5.80 4.00 0.00 peak 247 volume   4.409 ppm1   0.543 ppm2   1.747
       OR { 247 }
       ( segid "AAAA" and  resid   2 and name HD2# )
       ( segid "AAAA" and  resid  11 and name HG*  )
       OR { 247 }
       ( segid "AAAA" and  resid   2 and name HD2# )
       ( segid "AAAA" and  resid  11 and name HB*  )

assign ( segid "AAAA" and  resid  17 and name HD1# )
       ( segid "AAAA" and  resid  26 and name HN   )
       5.80 4.00 0.00 peak 248 volume   4.126 ppm1   0.526 ppm2   9.053
       OR { 248 }
       ( segid "AAAA" and  resid  17 and name HD1# )
       ( segid "AAAA" and  resid  26 and name HN   )
       OR { 248 }
       ( segid "AAAA" and  resid  17 and name HD2# )
       ( segid "AAAA" and  resid  26 and name HN   )
       OR { 248 }
       ( segid "AAAA" and  resid  17 and name HD1# )
       ( segid "AAAA" and  resid  27 and name HN   )

assign ( segid "AAAA" and  resid  23 and name HG1# )
       ( segid "AAAA" and  resid   6 and name HZ   )
       5.80 4.00 0.00 peak 249 volume   3.943 ppm1   0.254 ppm2   7.046
       OR { 249 }
       ( segid "AAAA" and  resid  23 and name HG1# )
       ( segid "AAAA" and  resid   6 and name HZ   )
       OR { 249 }
       ( segid "AAAA" and  resid  23 and name HG1# )
       ( segid "AAAA" and  resid   6 and name HE%  )

assign ( segid "AAAA" and  resid  23 and name HG1# )
       ( segid "AAAA" and  resid  23 and name HB   )
       4.30 2.50 0.00 peak 250 volume  17.765 ppm1   0.251 ppm2   1.722

assign ( segid "AAAA" and  resid  24 and name HA   )
       ( segid "AAAA" and  resid  24 and name HD%  )
       6.00 4.20 0.00 peak 251 volume   5.405 ppm1   5.678 ppm2   7.000

assign ( segid "AAAA" and  resid  17 and name HD1# )
       ( segid "AAAA" and  resid  18 and name HN   )
       5.80 4.00 0.00 peak 252 volume   3.398 ppm1   0.527 ppm2   9.416
       OR { 252 }
       ( segid "AAAA" and  resid  17 and name HD1# )
       ( segid "AAAA" and  resid  18 and name HN   )
       OR { 252 }
       ( segid "AAAA" and  resid  17 and name HD2# )
       ( segid "AAAA" and  resid  25 and name HN   )

assign ( segid "AAAA" and  resid  24 and name HB*  )
       ( segid "AAAA" and  resid   4 and name HA   )
       5.50 3.70 0.00 peak 253 volume   3.465 ppm1   2.785 ppm2   4.006

assign ( segid "AAAA" and  resid  24 and name HB*  )
       ( segid "AAAA" and  resid  17 and name HD2# )
       5.80 4.00 0.00 peak 254 volume   3.708 ppm1   2.778 ppm2   0.515

assign ( segid "AAAA" and  resid  24 and name HB*  )
       ( segid "AAAA" and  resid  17 and name HD2# )
       5.80 4.00 0.00 peak 255 volume   2.562 ppm1   3.258 ppm2   0.537

assign ( segid "AAAA" and  resid   1 and name HA   )
       ( segid "AAAA" and  resid  11 and name HE2% )
       5.50 3.70 0.00 peak 256 volume   2.620 ppm1   4.227 ppm2   6.787

assign ( segid "AAAA" and  resid   1 and name HD2# )
       ( segid "AAAA" and  resid  11 and name HE2% )
       5.80 4.00 0.00 peak 257 volume   4.864 ppm1   0.796 ppm2   7.492

assign ( segid "AAAA" and  resid   1 and name HD2# )
       ( segid "AAAA" and  resid   2 and name HN   )
       5.80 4.00 0.00 peak 258 volume   5.031 ppm1   0.798 ppm2   7.822

assign ( segid "AAAA" and  resid   4 and name HA   )
       ( segid "AAAA" and  resid  17 and name HD2# )
       5.80 4.00 0.00 peak 259 volume   7.924 ppm1   4.012 ppm2   0.515

assign ( segid "AAAA" and  resid  14 and name HG1# )
       ( segid "AAAA" and  resid  26 and name HB*  )
       3.80 2.00 0.00 peak 260 volume  16.397 ppm1   0.958 ppm2   3.509

assign ( segid "AAAA" and  resid  14 and name HG1# )
       ( segid "AAAA" and  resid  14 and name HB   )
       3.70 1.90 0.00 peak 261 volume  27.177 ppm1   0.961 ppm2   2.773

assign ( segid "AAAA" and  resid  14 and name HG1# )
       ( segid "AAAA" and  resid  26 and name HA   )
       5.80 4.00 0.00 peak 262 volume   3.302 ppm1   0.963 ppm2   5.949

assign ( segid "AAAA" and  resid  14 and name HG2# )
       ( segid "AAAA" and  resid  16 and name HN   )
       5.80 4.00 0.00 peak 264 volume   6.565 ppm1   0.685 ppm2   8.535

assign ( segid "AAAA" and  resid  14 and name HG2# )
       ( segid "AAAA" and  resid  14 and name HN   )
       4.30 2.50 0.00 peak 265 volume  17.086 ppm1   0.684 ppm2   6.989

assign ( segid "AAAA" and  resid  14 and name HG2# )
       ( segid "AAAA" and  resid  26 and name HA   )
       5.80 4.00 0.00 peak 266 volume   3.975 ppm1   0.686 ppm2   6.008

assign ( segid "AAAA" and  resid  14 and name HG2# )
       ( segid "AAAA" and  resid  14 and name HA   )
       4.30 2.50 0.00 peak 267 volume   8.367 ppm1   0.684 ppm2   4.868

assign ( segid "AAAA" and  resid  14 and name HG2# )
       ( segid "AAAA" and  resid  11 and name HA   )
       3.80 2.00 0.00 peak 268 volume  15.581 ppm1   0.685 ppm2   3.753

assign ( segid "AAAA" and  resid  14 and name HG2# )
       ( segid "AAAA" and  resid  26 and name HB*  )
       3.80 2.00 0.00 peak 269 volume   9.938 ppm1   0.685 ppm2   3.474

assign ( segid "AAAA" and  resid  14 and name HG2# )
       ( segid "AAAA" and  resid  14 and name HB   )
       3.70 1.90 0.00 peak 270 volume  22.230 ppm1   0.685 ppm2   2.728

assign ( segid "AAAA" and  resid  14 and name HG2# )
       ( segid "AAAA" and  resid   9 and name HB2  )
       3.80 2.00 0.00 peak 271 volume   8.662 ppm1   0.683 ppm2   1.704

assign ( segid "AAAA" and  resid  17 and name HD2# )
       ( segid "AAAA" and  resid  17 and name HA   )
       4.30 2.50 0.00 peak 272 volume   8.492 ppm1   0.523 ppm2   4.826
       OR { 272 }
       ( segid "AAAA" and  resid  17 and name HD2# )
       ( segid "AAAA" and  resid  17 and name HA   )
       OR { 272 }
       ( segid "AAAA" and  resid  17 and name HD1# )
       ( segid "AAAA" and  resid  17 and name HA   )

assign ( segid "AAAA" and  resid   9 and name HA   )
       ( segid "AAAA" and  resid   9 and name HN   )
       6.00 4.20 0.00 peak 273 volume   5.909 ppm1   4.326 ppm2   8.770

assign ( segid "AAAA" and  resid  23 and name HA   )
       ( segid "AAAA" and  resid  23 and name HB   )
       4.00 2.20 0.00 peak 274 volume  15.945 ppm1   4.321 ppm2   1.753

assign ( segid "AAAA" and  resid  14 and name HG2# )
       ( segid "AAAA" and  resid  14 and name HG1# )
       3.70 1.90 0.00 peak 276 volume  26.816 ppm1   0.683 ppm2   1.017

assign ( segid "AAAA" and  resid  13 and name HB*  )
       ( segid "AAAA" and  resid  13 and name HA   )
       6.00 4.20 0.00 peak 277 volume   6.616 ppm1   2.270 ppm2   4.440

assign ( segid "AAAA" and  resid  13 and name HB*  )
       ( segid "AAAA" and  resid  13 and name HN   )
       6.00 4.20 0.00 peak 278 volume   4.417 ppm1   2.275 ppm2   7.859

assign ( segid "AAAA" and  resid   2 and name HD1# )
       ( segid "AAAA" and  resid  11 and name HE2% )
       5.80 4.00 0.00 peak 279 volume   4.789 ppm1   0.626 ppm2   6.741

assign ( segid "AAAA" and  resid   2 and name HD2# )
       ( segid "AAAA" and  resid   3 and name HN   )
       5.80 4.00 0.00 peak 280 volume   5.509 ppm1   0.543 ppm2   7.600

! spectrum:  inter-run90.xpk
! using intensity strong threshold of  3.00
! using intensity medium threshold of  1.50
!
! using    strong restraint of  2.90
! using    medium restraint of  3.50
! using      weak restraint of  5.50

assign ( segid "AAAA" and  resid  25 and name HD1# )
       ( segid "BBBB" and  resid   6 and name HE%  )
       5.80 4.00 0.00 peak 0 volume   0.975 ppm1  -0.113 ppm2   7.073

assign ( segid "AAAA" and  resid  25 and name HD1# )
       ( segid "BBBB" and  resid  25 and name HG2# )
       4.30 2.50 0.00 peak 1 volume   2.297 ppm1  -0.107 ppm2   0.693

assign ( segid "AAAA" and  resid  25 and name HG2# )
       ( segid "BBBB" and  resid   6 and name HE%  )
       3.80 2.00 0.00 peak 2 volume   2.289 ppm1   0.651 ppm2   7.074

assign ( segid "AAAA" and  resid  25 and name HG2# )
       ( segid "BBBB" and  resid  18 and name HD1# )
       5.80 4.00 0.00 peak 3 volume   1.409 ppm1   0.651 ppm2   0.825

assign ( segid "AAAA" and  resid  23 and name HG2# )
       ( segid "BBBB" and  resid  23 and name HG1# )
       4.30 2.50 0.00 peak 4 volume   1.625 ppm1   0.096 ppm2   0.231

assign ( segid "AAAA" and  resid  23 and name HG2# )
       ( segid "BBBB" and  resid  23 and name HB   )
       6.30 4.50 0.00 peak 5 volume   1.010 ppm1   0.097 ppm2   1.731

assign ( segid "AAAA" and  resid  23 and name HG2# )
       ( segid "BBBB" and  resid   6 and name HE%  )
       3.80 2.00 0.00 peak 6 volume   1.928 ppm1   0.097 ppm2   7.117

assign ( segid "AAAA" and  resid  23 and name HG2# )
       ( segid "BBBB" and  resid   6 and name HD%  )
       5.80 4.00 0.00 peak 7 volume   0.825 ppm1   0.099 ppm2   7.422

assign ( segid "AAAA" and  resid   5 and name HB2  )
       ( segid "BBBB" and  resid  23 and name HG1# )
       5.80 4.00 0.00 peak 8 volume   0.945 ppm1   4.099 ppm2   0.228
       OR { 8 }
       ( segid "AAAA" and  resid   5 and name HB2  )
       ( segid "BBBB" and  resid  23 and name HG1# )
       OR { 8 }
       ( segid "AAAA" and  resid   5 and name HB1  )
       ( segid "BBBB" and  resid  23 and name HG1# )

assign ( segid "AAAA" and  resid   5 and name HB2  )
       ( segid "BBBB" and  resid  23 and name HG2# )
       5.80 4.00 0.00 peak 9 volume   0.854 ppm1   4.046 ppm2   0.115
       OR { 9 }
       ( segid "AAAA" and  resid   5 and name HB2  )
       ( segid "BBBB" and  resid  23 and name HG2# )
       OR { 9 }
       ( segid "AAAA" and  resid   5 and name HB1  )
       ( segid "BBBB" and  resid  23 and name HG2# )

assign ( segid "AAAA" and  resid  23 and name HB   )
       ( segid "BBBB" and  resid  23 and name HG2# )
       6.30 4.50 0.00 peak 10 volume   0.969 ppm1   1.737 ppm2   0.150

assign ( segid "AAAA" and  resid  23 and name HG1# )
       ( segid "BBBB" and  resid  23 and name HG2# )
       4.30 2.50 0.00 peak 11 volume   2.344 ppm1   0.272 ppm2   0.114

assign ( segid "AAAA" and  resid  23 and name HG1# )
       ( segid "BBBB" and  resid   6 and name HE%  )
       5.80 4.00 0.00 peak 12 volume   0.865 ppm1   0.275 ppm2   7.069

assign ( segid "AAAA" and  resid  30 and name HG1# )
       ( segid "BBBB" and  resid  33 and name HB*  )
       5.80 4.00 0.00 peak 14 volume   1.160 ppm1   0.817 ppm2   3.258
       OR { 14 }
       ( segid "AAAA" and  resid  30 and name HG1# )
       ( segid "BBBB" and  resid  33 and name HB*  )
       OR { 14 }
       ( segid "AAAA" and  resid  30 and name HG1# )
       ( segid "BBBB" and  resid  30 and name HA   )

assign ( segid "AAAA" and  resid  30 and name HG2# )
       ( segid "BBBB" and  resid  33 and name HB*  )
       5.80 4.00 0.00 peak 15 volume   1.108 ppm1   0.743 ppm2   2.291

assign ( segid "AAAA" and  resid  30 and name HG2# )
       ( segid "BBBB" and  resid  33 and name HB*  )
       3.80 2.00 0.00 peak 16 volume   1.900 ppm1   0.742 ppm2   3.246
       OR { 16 }
       ( segid "AAAA" and  resid  30 and name HG2# )
       ( segid "BBBB" and  resid  33 and name HB*  )
       OR { 16 }
       ( segid "AAAA" and  resid  30 and name HG2# )
       ( segid "BBBB" and  resid  30 and name HA   )

assign ( segid "AAAA" and  resid  30 and name HG2# )
       ( segid "BBBB" and  resid  34 and name HA   )
       5.80 4.00 0.00 peak 17 volume   1.054 ppm1   0.743 ppm2   4.314

assign ( segid "AAAA" and  resid  33 and name HB*  )
       ( segid "BBBB" and  resid  18 and name HD1# )
       3.80 2.00 0.00 peak 18 volume   2.193 ppm1   3.275 ppm2   0.785
       OR { 18 }
       ( segid "AAAA" and  resid  33 and name HB*  )
       ( segid "BBBB" and  resid  18 and name HD1# )
       OR { 18 }
       ( segid "AAAA" and  resid  33 and name HB*  )
       ( segid "BBBB" and  resid  30 and name HG1# )

assign ( segid "AAAA" and  resid  33 and name HB*  )
       ( segid "BBBB" and  resid  30 and name HG1# )
       3.80 2.00 0.00 peak 19 volume   1.912 ppm1   2.295 ppm2   0.798
       OR { 19 }
       ( segid "AAAA" and  resid  33 and name HB*  )
       ( segid "BBBB" and  resid  30 and name HG1# )
       OR { 19 }
       ( segid "AAAA" and  resid  33 and name HB*  )
       ( segid "BBBB" and  resid  18 and name HD1# )

assign ( segid "AAAA" and  resid  25 and name HG2# )
       ( segid "BBBB" and  resid  25 and name HD1# )
       6.30 4.50 0.00 peak 20 volume   0.849 ppm1   0.654 ppm2  -0.104

assign ( segid "AAAA" and  resid  24 and name HA   )
       ( segid "BBBB" and  resid   6 and name HE%  )
       5.50 3.70 0.00 peak 21 volume   0.847 ppm1   5.710 ppm2   7.098

assign ( segid "AAAA" and  resid  23 and name HG1# )
       ( segid "BBBB" and  resid  23 and name HB   )
       6.30 4.50 0.00 peak 22 volume   0.848 ppm1   0.272 ppm2   1.725

assign ( segid "AAAA" and  resid  23 and name HG1# )
       ( segid "BBBB" and  resid   6 and name HD%  )
       5.80 4.00 0.00 peak 23 volume   0.611 ppm1   0.273 ppm2   7.417

assign ( segid "AAAA" and  resid  30 and name HB   )
       ( segid "BBBB" and  resid  30 and name HG1# )
       6.30 4.50 0.00 peak 24 volume   1.276 ppm1   1.982 ppm2   0.805
       OR { 24 }
       ( segid "AAAA" and  resid  30 and name HB   )
       ( segid "BBBB" and  resid  30 and name HG1# )
       OR { 24 }
       ( segid "AAAA" and  resid  30 and name HB   )
       ( segid "BBBB" and  resid  18 and name HD1# )

assign ( segid "AAAA" and  resid  30 and name HG1# )
       ( segid "BBBB" and  resid  30 and name HB   )
       6.30 4.50 0.00 peak 25 volume   1.075 ppm1   0.813 ppm2   1.945

assign ( segid "AAAA" and  resid  30 and name HG2# )
       ( segid "BBBB" and  resid  30 and name HB   )
       6.30 4.50 0.00 peak 26 volume   0.984 ppm1   0.747 ppm2   1.986

assign ( segid "AAAA" and  resid   5 and name HA   )
       ( segid "BBBB" and  resid  23 and name HG2# )
       5.80 4.00 0.00 peak 27 volume   0.666 ppm1   4.434 ppm2   0.164

assign ( segid "AAAA" and  resid  25 and name HD1# )
       ( segid "BBBB" and  resid  25 and name HD1# )
       6.30 4.50 0.00 peak 28 volume   1.244 ppm1  -0.108 ppm2  -0.120

assign ( segid "AAAA" and  resid  18 and name HD1# )
       ( segid "BBBB" and  resid  30 and name HB   )
       3.80 2.00 0.00 peak 29 volume   2.946 ppm1   0.817 ppm2   1.977

assign ( segid "AAAA" and  resid  30 and name HA   )
       ( segid "BBBB" and  resid  30 and name HG1# )
       6.30 4.50 0.00 peak 30 volume   0.839 ppm1   3.223 ppm2   0.763
       OR { 30 }
       ( segid "AAAA" and  resid  30 and name HA   )
       ( segid "BBBB" and  resid  30 and name HG1# )
       OR { 30 }
       ( segid "AAAA" and  resid  30 and name HA   )
       ( segid "BBBB" and  resid  18 and name HD1# )

assign ( segid "AAAA" and  resid  25 and name HD1# )
       ( segid "BBBB" and  resid  18 and name HG2# )
       5.80 4.00 0.00 peak 31 volume   0.813 ppm1  -0.103 ppm2   1.002

assign ( segid "AAAA" and  resid  30 and name HG2# )
       ( segid "BBBB" and  resid  30 and name HG2# )
       3.70 1.90 0.00 peak 32 volume   6.372 ppm1   0.743 ppm2   0.785
       OR { 32 }
       ( segid "AAAA" and  resid  30 and name HG2# )
       ( segid "BBBB" and  resid  30 and name HG2# )
       OR { 32 }
       ( segid "AAAA" and  resid  30 and name HG2# )
       ( segid "BBBB" and  resid  18 and name HD1# )

assign ( segid "AAAA" and  resid  25 and name HB   )
       ( segid "BBBB" and  resid   6 and name HE%  )
       5.50 3.70 0.00 peak 33 volume   0.740 ppm1   1.844 ppm2   7.045
       OR { 33 }
       ( segid "AAAA" and  resid  25 and name HB   )
       ( segid "BBBB" and  resid   6 and name HE%  )
       OR { 33 }
       ( segid "AAAA" and  resid  25 and name HB   )
       ( segid "BBBB" and  resid   6 and name HZ   )

assign ( segid "AAAA" and  resid  18 and name HD1# )
       ( segid "BBBB" and  resid  33 and name HB*  )
       5.80 4.00 0.00 peak 34 volume   1.109 ppm1   0.820 ppm2   3.258
       OR { 34 }
       ( segid "AAAA" and  resid  18 and name HD1# )
       ( segid "BBBB" and  resid  33 and name HB*  )
       OR { 34 }
       ( segid "AAAA" and  resid  18 and name HD1# )
       ( segid "BBBB" and  resid  30 and name HA   )

assign ( segid "AAAA" and  resid  30 and name HG1# )
       ( segid "BBBB" and  resid  25 and name HD1# )
       5.80 4.00 0.00 peak 35 volume   0.707 ppm1   0.814 ppm2  -0.105

assign ( segid "AAAA" and  resid  37 and name HG2# )
       ( segid "BBBB" and  resid  18 and name HA   )
       5.80 4.00 0.00 peak 36 volume   1.451 ppm1   0.913 ppm2   4.198

assign ( segid "AAAA" and  resid  34 and name HA   )
       ( segid "BBBB" and  resid  30 and name HG2# )
       3.80 2.00 0.00 peak 37 volume   1.599 ppm1   4.320 ppm2   0.780
       OR { 37 }
       ( segid "AAAA" and  resid  34 and name HA   )
       ( segid "BBBB" and  resid  30 and name HG2# )
       OR { 37 }
       ( segid "AAAA" and  resid  34 and name HA   )
       ( segid "BBBB" and  resid  30 and name HG1# )

assign ( segid "AAAA" and  resid  23 and name HG1# )
       ( segid "BBBB" and  resid   5 and name HB2  )
       5.80 4.00 0.00 peak 38 volume   0.706 ppm1   0.279 ppm2   4.113
       OR { 38 }
       ( segid "AAAA" and  resid  23 and name HG1# )
       ( segid "BBBB" and  resid   5 and name HB2  )
       OR { 38 }
       ( segid "AAAA" and  resid  23 and name HG1# )
       ( segid "BBBB" and  resid   5 and name HB1  )

assign ( segid "AAAA" and  resid  27 and name HB*  )
       ( segid "BBBB" and  resid  37 and name HD1# )
       5.80 4.00 0.00 peak 39 volume   0.774 ppm1   2.464 ppm2   0.844

assign ( segid "AAAA" and  resid  18 and name HA   )
       ( segid "BBBB" and  resid  37 and name HG2# )
       5.80 4.00 0.00 peak 40 volume   1.164 ppm1   4.223 ppm2   0.894

assign ( segid "AAAA" and  resid   6 and name HA   )
       ( segid "BBBB" and  resid  21 and name HB*  )
       5.50 3.70 0.00 peak 41 volume   0.863 ppm1   4.229 ppm2   2.066
       OR { 41 }
       ( segid "AAAA" and  resid   6 and name HA   )
       ( segid "BBBB" and  resid  21 and name HB*  )
       OR { 41 }
       ( segid "AAAA" and  resid   6 and name HA   )
       ( segid "BBBB" and  resid  21 and name HB*  )

assign ( segid "AAAA" and  resid  23 and name HB   )
       ( segid "BBBB" and  resid   6 and name HA   )
       5.50 3.70 0.00 peak 42 volume   0.628 ppm1   1.734 ppm2   4.268
       OR { 42 }
       ( segid "AAAA" and  resid  23 and name HB   )
       ( segid "BBBB" and  resid   6 and name HA   )
       OR { 42 }
       ( segid "AAAA" and  resid  23 and name HB   )
       ( segid "BBBB" and  resid  23 and name HA   )

assign ( segid "AAAA" and  resid  18 and name HB   )
       ( segid "BBBB" and  resid  37 and name HD1# )
       5.80 4.00 0.00 peak 43 volume   0.949 ppm1   2.110 ppm2   0.849
       OR { 43 }
       ( segid "AAAA" and  resid  18 and name HB   )
       ( segid "BBBB" and  resid  37 and name HD1# )
       OR { 43 }
       ( segid "AAAA" and  resid  18 and name HB   )
       ( segid "BBBB" and  resid  37 and name HG2# )

assign ( segid "AAAA" and  resid  37 and name HD1# )
       ( segid "BBBB" and  resid  16 and name HG*  )
       5.80 4.00 0.00 peak 44 volume   0.733 ppm1   0.798 ppm2   1.314
       OR { 44 }
       ( segid "AAAA" and  resid  37 and name HD1# )
       ( segid "BBBB" and  resid  16 and name HG*  )
       OR { 44 }
       ( segid "AAAA" and  resid  37 and name HD1# )
       ( segid "BBBB" and  resid  16 and name HG*  )

assign ( segid "AAAA" and  resid  16 and name HB*  )
       ( segid "BBBB" and  resid  37 and name HD1# )
       5.80 4.00 0.00 peak 45 volume   0.973 ppm1   1.644 ppm2   0.862
       OR { 45 }
       ( segid "AAAA" and  resid  16 and name HB*  )
       ( segid "BBBB" and  resid  37 and name HD1# )
       OR { 45 }
       ( segid "AAAA" and  resid  16 and name HB*  )
       ( segid "BBBB" and  resid  37 and name HD1# )

assign ( segid "AAAA" and  resid  18 and name HD1# )
       ( segid "BBBB" and  resid  33 and name HB*  )
       5.80 4.00 0.00 peak 46 volume   1.100 ppm1   0.824 ppm2   2.288

assign ( segid "AAAA" and  resid  27 and name HB*  )
       ( segid "BBBB" and  resid  37 and name HD1# )
       5.80 4.00 0.00 peak 47 volume   1.390 ppm1   2.717 ppm2   0.825

hhFH Monaco/?/?????33R*ch?Courier
 HelveticaConfidential????PhhF???FMPSRBBST???????L??


  Entry H atom name         Submitted Coord H atom name
    1    H    LEU  11           HT1      LEU   1 114.888  12.601  -7.923
    2    HA   LEU  11           HA       LEU   1 116.070  11.885  -9.660
    3   1HB   LEU  11          HB2       LEU   1 117.769  10.627  -7.483
    4   2HB   LEU  11          HB1       LEU   1 118.319  11.154  -9.075
    5    HG   LEU  11           HG       LEU   1 117.211  12.928  -6.879
    6   1HD1  LEU  11          HD11      LEU   1 119.808  11.943  -7.365
    7   2HD1  LEU  11          HD12      LEU   1 119.357  13.256  -6.277
    8   3HD1  LEU  11          HD13      LEU   1 119.815  13.609  -7.943
    9   1HD2  LEU  11          HD21      LEU   1 117.847  13.390  -9.780
   10   2HD2  LEU  11          HD22      LEU   1 118.086  14.697  -8.621
   11   3HD2  LEU  11          HD23      LEU   1 116.486  13.988  -8.833
   12    H    LEU  12           HN       LEU   1 116.907   9.080  -7.655
   13    HA   LEU  12           HA       LEU   1 115.925   7.335  -9.852
   14   1HB   LEU  12          HB2       LEU   1 118.286   7.277  -8.500
   15   2HB   LEU  12          HB1       LEU   1 117.337   6.157  -7.527
   16    HG   LEU  12           HG       LEU   1 118.474   4.904  -9.271
   17   1HD1  LEU  12          HD11      LEU   1 116.643   3.678 -10.020
   18   2HD1  LEU  12          HD12      LEU   1 115.669   5.118 -10.314
   19   3HD1  LEU  12          HD13      LEU   1 115.940   4.557  -8.665
   20   1HD2  LEU  12          HD21      LEU   1 118.775   5.704 -11.363
   21   2HD2  LEU  12          HD22      LEU   1 118.094   7.223 -10.780
   22   3HD2  LEU  12          HD23      LEU   1 117.053   6.030 -11.556
   23    H    TYR  13           HN       TYR   1 114.286   5.829  -9.493
   24    HA   TYR  13           HA       TYR   1 112.654   6.255  -7.079
   25   1HB   TYR  13          HB2       TYR   1 111.025   4.792  -8.230
   26   2HB   TYR  13          HB1       TYR   1 111.561   6.105  -9.280
   27    HD1  TYR  13           HD1      TYR   1 111.924   2.487  -8.545
   28    HD2  TYR  13           HD2      TYR   1 112.881   5.685 -11.247
   29    HE1  TYR  13           HE1      TYR   1 112.715   0.837 -10.216
   30    HE2  TYR  13           HE2      TYR   1 113.675   4.034 -12.918
   31    HH   TYR  13           HH       TYR   1 114.485   1.758 -13.011
   32    H    CYS  14           HN       CYS   1 112.061   4.547  -5.629
   33    HA   CYS  14           HA       CYS   1 114.184   2.707  -4.990
   34   1HB   CYS  14          HB2       CYS   1 112.042   3.678  -3.611
   35   2HB   CYS  14          HB1       CYS   1 111.474   2.057  -4.012
   36    H    SER  15           HN       SER   1 114.466   0.611  -5.671
   37    HA   SER  15           HA       SER   1 112.930  -0.418  -7.865
   38   1HB   SER  15          HB2       SER   1 114.247  -2.405  -7.633
   39   2HB   SER  15          HB1       SER   1 115.311  -1.077  -7.177
   40    HG   SER  15           HG       SER   1 114.874  -1.537  -5.014
   41    H    PHE  16           HN       PHE   1 112.612  -0.560  -4.390
   42    HA   PHE  16           HA       PHE   1 110.503  -2.644  -4.557
   43   1HB   PHE  16          HB2       PHE   1 111.558  -1.160  -2.132
   44   2HB   PHE  16          HB1       PHE   1 110.558  -2.611  -2.125
   45    HD1  PHE  16           HD1      PHE   1 111.486  -4.788  -2.845
   46    HD2  PHE  16           HD2      PHE   1 113.918  -1.255  -2.631
   47    HE1  PHE  16           HE1      PHE   1 113.531  -6.188  -2.950
   48    HE2  PHE  16           HE2      PHE   1 115.962  -2.654  -2.738
   49    HZ   PHE  16           HZ       PHE   1 115.768  -5.120  -2.895
   50    H    CYS  17           HN       CYS   1 110.835   0.618  -3.106
   51    HA   CYS  17           HA       CYS   1 107.967   0.932  -2.830
   52   1HB   CYS  17          HB2       CYS   1 110.029   3.150  -2.711
   53   2HB   CYS  17          HB1       CYS   1 108.467   3.072  -1.899
   54    H    GLY  18           HN       GLY   1 110.304   1.796  -5.308
   55   1HA   GLY  18          HA2       GLY   1 109.969   2.759  -7.426
   56   2HA   GLY  18          HA1       GLY   1 108.311   2.168  -7.297
   57    H    LYS  19           HN       LYS   1 109.095   4.120  -4.675
   58    HA   LYS  19           HA       LYS   1 107.328   6.249  -5.638
   59   1HB   LYS  19          HB2       LYS   1 108.876   5.916  -3.048
   60   2HB   LYS  19          HB1       LYS   1 107.711   7.201  -3.362
   61   1HG   LYS  19          HG2       LYS   1 105.963   5.477  -3.777
   62   2HG   LYS  19          HG1       LYS   1 107.132   4.228  -3.350
   63   1HD   LYS  19          HD2       LYS   1 107.415   5.307  -1.118
   64   2HD   LYS  19          HD1       LYS   1 106.145   6.454  -1.546
   65   1HE   LYS  19          HE2       LYS   1 104.748   4.297  -2.071
   66   2HE   LYS  19          HE1       LYS   1 105.930   3.501  -1.032
   67   1HZ   LYS  19          HZ1       LYS   1 104.016   5.639  -0.357
   68   2HZ   LYS  19          HZ2       LYS   1 105.424   5.423   0.568
   69   3HZ   LYS  19          HZ3       LYS   1 104.290   4.165   0.435
   70    H    SER  20           HN       SER   2 108.007   8.508  -5.786
   71    HA   SER  20           HA       SER   2 110.522   8.855  -7.110
   72   1HB   SER  20          HB2       SER   2 109.869  11.042  -7.433
   73   2HB   SER  20          HB1       SER   2 108.301  10.357  -7.015
   74    HG   SER  20           HG       SER   2 109.017  10.878  -4.757
   75    H    GLN  21           HN       GLN   2 112.289  10.306  -6.317
   76    HA   GLN  21           HA       GLN   2 113.368   9.386  -3.865
   77   1HB   GLN  21          HB2       GLN   2 114.620  10.453  -5.798
   78   2HB   GLN  21          HB1       GLN   2 114.054  12.013  -5.203
   79   1HG   GLN  21          HG2       GLN   2 115.093  11.491  -2.987
   80   2HG   GLN  21          HG1       GLN   2 115.758  10.015  -3.690
   81   1HE2  GLN  21          HE21      GLN   2 117.675  10.200  -4.909
   82   2HE2  GLN  21          HE22      GLN   2 118.416  11.679  -5.291
   83    H    HIS  22           HN       HIS   2 111.499  12.325  -4.594
   84    HA   HIS  22           HA       HIS   2 111.696  13.154  -1.755
   85   1HB   HIS  22          HB2       HIS   2 110.433  14.504  -4.156
   86   2HB   HIS  22          HB1       HIS   2 110.514  15.199  -2.537
   87    HD1  HIS  22           HD1      HIS   2 112.631  14.374  -5.520
   88    HD2  HIS  22           HD2      HIS   2 113.127  16.037  -1.726
   89    HE1  HIS  22           HE1      HIS   2 114.950  15.397  -5.481
   90    HE2  HIS  22           HE2      HIS   2 115.261  16.411  -3.177
   91    H    GLU  23           HN       GLU   2 109.550  11.414  -3.786
   92    HA   GLU  23           HA       GLU   2 107.031  12.137  -2.679
   93   1HB   GLU  23          HB2       GLU   2 107.261  10.723  -4.687
   94   2HB   GLU  23          HB1       GLU   2 107.921   9.424  -3.698
   95   1HG   GLU  23          HG2       GLU   2 105.800   9.396  -2.384
   96   2HG   GLU  23          HG1       GLU   2 105.149  10.633  -3.460
   97    H    VAL  24           HN       VAL   2 109.613  10.177  -1.365
   98    HA   VAL  24           HA       VAL   2 107.824   9.150   0.763
   99    HB   VAL  24           HB       VAL   2 110.577   8.498   1.227
  100   1HG1  VAL  24          HG11      VAL   2 108.147   6.946   0.294
  101   2HG1  VAL  24          HG12      VAL   2 108.760   7.085   1.942
  102   3HG1  VAL  24          HG13      VAL   2 109.675   6.184   0.733
  103   1HG2  VAL  24          HG21      VAL   2 110.981   7.258  -0.920
  104   2HG2  VAL  24          HG22      VAL   2 111.001   9.008  -1.118
  105   3HG2  VAL  24          HG23      VAL   2 109.584   8.080  -1.612
  106    H    ARG  25           HN       ARG   2 108.278   9.557   3.008
  107    HA   ARG  25           HA       ARG   2 108.999  12.291   3.569
  108   1HB   ARG  25          HB2       ARG   2 107.389  10.999   4.945
  109   2HB   ARG  25          HB1       ARG   2 108.702   9.946   5.473
  110   1HG   ARG  25          HG2       ARG   2 109.869  11.898   6.447
  111   2HG   ARG  25          HG1       ARG   2 108.535  12.937   5.944
  112   1HD   ARG  25          HD2       ARG   2 108.186  12.352   8.269
  113   2HD   ARG  25          HD1       ARG   2 106.988  11.490   7.304
  114    HE   ARG  25           HE       ARG   2 109.103   9.705   7.494
  115   1HH1  ARG  25          HH21      ARG   2 107.173  11.550   9.674
  116   2HH1  ARG  25          HH22      ARG   2 107.291  10.399  10.963
  117   1HH2  ARG  25          HH11      ARG   2 109.269   8.191   9.162
  118   2HH2  ARG  25          HH12      ARG   2 108.478   8.496  10.673
  119    H    LYS  26           HN       LYS   2 110.673   9.183   4.013
  120    HA   LYS  26           HA       LYS   2 113.163  10.738   4.612
  121   1HB   LYS  26          HB2       LYS   2 112.352   7.960   5.515
  122   2HB   LYS  26          HB1       LYS   2 113.941   8.672   5.791
  123   1HG   LYS  26          HG2       LYS   2 112.834  10.564   6.995
  124   2HG   LYS  26          HG1       LYS   2 111.290   9.730   6.813
  125   1HD   LYS  26          HD2       LYS   2 112.249   7.767   8.017
  126   2HD   LYS  26          HD1       LYS   2 113.732   8.686   8.276
  127   1HE   LYS  26          HE2       LYS   2 112.633  10.277   9.658
  128   2HE   LYS  26          HE1       LYS   2 111.036   9.734   9.145
  129   1HZ   LYS  26          HZ1       LYS   2 112.984   8.242  10.812
  130   2HZ   LYS  26          HZ2       LYS   2 111.560   7.561  10.183
  131   3HZ   LYS  26          HZ3       LYS   2 111.473   8.844  11.293
  132    H    LEU  27           HN       LEU   2 114.686  10.571   3.051
  133    HA   LEU  27           HA       LEU   2 114.744   8.102   1.382
  134   1HB   LEU  27          HB2       LEU   2 113.612  10.300   0.373
  135   2HB   LEU  27          HB1       LEU   2 115.293  10.739   0.083
  136    HG   LEU  27           HG       LEU   2 114.451   9.590  -1.877
  137   1HD1  LEU  27          HD11      LEU   2 116.161   8.013  -2.143
  138   2HD1  LEU  27          HD12      LEU   2 116.058   7.478  -0.468
  139   3HD1  LEU  27          HD13      LEU   2 116.784   9.039  -0.852
  140   1HD2  LEU  27          HD21      LEU   2 112.888   8.183  -0.060
  141   2HD2  LEU  27          HD22      LEU   2 114.030   6.972  -0.642
  142   3HD2  LEU  27          HD23      LEU   2 113.014   7.847  -1.787
  143    H    ILE  28           HN       ILE   2 116.806   7.320   1.177
  144    HA   ILE  28           HA       ILE   2 119.026   9.068   2.138
  145    HB   ILE  28           HB       ILE   2 119.058   6.075   1.644
  146   1HG1  ILE  28          HG12      ILE   2 118.745   7.522   4.290
  147   2HG1  ILE  28          HG11      ILE   2 117.397   6.806   3.407
  148   1HG2  ILE  28          HG21      ILE   2 121.148   6.074   2.692
  149   2HG2  ILE  28          HG22      ILE   2 120.855   7.619   3.491
  150   3HG2  ILE  28          HG23      ILE   2 121.203   7.572   1.762
  151   1HD1  ILE  28          HD11      ILE   2 117.934   4.722   4.100
  152   2HD1  ILE  28          HD12      ILE   2 119.039   5.489   5.241
  153   3HD1  ILE  28          HD13      ILE   2 119.630   4.945   3.671
  154    H    ALA  29           HN       ALA   2 120.461   9.826   0.625
  155    HA   ALA  29           HA       ALA   2 120.173   8.793  -2.149
  156   1HB   ALA  29          HB1       ALA   2 119.913  11.227  -1.805
  157   2HB   ALA  29          HB2       ALA   2 121.311  10.869  -2.820
  158   3HB   ALA  29          HB3       ALA   2 121.538  11.299  -1.124
  159    H    GLY  30           HN       GLY   3 121.851   7.809  -3.200
  160   1HA   GLY  30          HA2       GLY   3 124.511   7.762  -1.851
  161   2HA   GLY  30          HA1       GLY   3 123.769   6.257  -2.397
  162    HA   PRO  31           HA       PRO   3 126.410   8.770  -5.696
  163   1HB   PRO  31          HB2       PRO   3 127.776   6.112  -5.581
  164   2HB   PRO  31          HB1       PRO   3 128.466   7.724  -5.844
  165   1HG   PRO  31          HG2       PRO   3 128.629   6.430  -3.487
  166   2HG   PRO  31          HG1       PRO   3 128.570   8.192  -3.623
  167   1HD   PRO  31          HD2       PRO   3 126.520   6.353  -2.581
  168   2HD   PRO  31          HD1       PRO   3 126.669   8.110  -2.375
  169    H    SER  32           HN       SER   3 124.773   5.695  -5.327
  170    HA   SER  32           HA       SER   3 123.743   5.909  -8.056
  171   1HB   SER  32          HB2       SER   3 124.570   3.394  -8.386
  172   2HB   SER  32          HB1       SER   3 125.572   4.763  -8.859
  173    HG   SER  32           HG       SER   3 126.859   3.535  -7.590
  174    H    VAL  33           HN       VAL   3 123.260   5.133  -4.903
  175    HA   VAL  33           HA       VAL   3 121.040   3.248  -5.609
  176    HB   VAL  33           HB       VAL   3 122.794   3.204  -3.137
  177   1HG1  VAL  33          HG11      VAL   3 120.114   2.131  -3.720
  178   2HG1  VAL  33          HG12      VAL   3 120.920   2.361  -2.169
  179   3HG1  VAL  33          HG13      VAL   3 121.254   0.921  -3.130
  180   1HG2  VAL  33          HG21      VAL   3 123.509   2.202  -5.473
  181   2HG2  VAL  33          HG22      VAL   3 122.370   0.926  -5.045
  182   3HG2  VAL  33          HG23      VAL   3 123.749   1.264  -4.000
  183    H    TYR  34           HN       TYR   3 119.055   3.866  -4.907
  184    HA   TYR  34           HA       TYR   3 118.921   6.001  -2.810
  185   1HB   TYR  34          HB2       TYR   3 117.215   5.718  -5.301
  186   2HB   TYR  34          HB1       TYR   3 116.937   6.896  -4.017
  187    HD1  TYR  34           HD1      TYR   3 119.381   5.797  -6.603
  188    HD2  TYR  34           HD2      TYR   3 118.228   8.897  -3.861
  189    HE1  TYR  34           HE1      TYR   3 121.034   7.327  -7.638
  190    HE2  TYR  34           HE2      TYR   3 119.884  10.427  -4.896
  191    HH   TYR  34           HH       TYR   3 122.035   9.311  -7.506
  192    H    ILE  35           HN       ILE   3 117.723   5.349  -1.085
  193    HA   ILE  35           HA       ILE   3 115.545   3.378  -1.519
  194    HB   ILE  35           HB       ILE   3 117.803   2.295  -0.897
  195   1HG1  ILE  35          HG12      ILE   3 115.813   1.651   1.236
  196   2HG1  ILE  35          HG11      ILE   3 115.307   1.437  -0.440
  197   1HG2  ILE  35          HG21      ILE   3 117.212   2.967   1.934
  198   2HG2  ILE  35          HG22      ILE   3 117.944   4.239   0.958
  199   3HG2  ILE  35          HG23      ILE   3 118.762   2.691   1.138
  200   1HD1  ILE  35          HD11      ILE   3 117.391   0.075  -0.818
  201   2HD1  ILE  35          HD12      ILE   3 116.274  -0.653   0.330
  202   3HD1  ILE  35          HD13      ILE   3 117.708   0.183   0.910
  203    H    CYS  36           HN       CYS   3 113.891   3.499   0.115
  204    HA   CYS  36           HA       CYS   3 114.055   5.966   1.784
  205   1HB   CYS  36          HB2       CYS   3 111.429   4.699   1.678
  206   2HB   CYS  36          HB1       CYS   3 111.893   6.346   1.248
  207    H    ASP  37           HN       ASP   3 112.274   5.492   3.777
  208    HA   ASP  37           HA       ASP   3 113.757   3.689   5.491
  209   1HB   ASP  37          HB2       ASP   3 112.612   5.809   6.232
  210   2HB   ASP  37          HB1       ASP   3 111.074   4.961   6.064
  211    H    GLU  38           HN       GLU   3 110.585   3.452   3.878
  212    HA   GLU  38           HA       GLU   3 109.691   1.122   5.270
  213   1HB   GLU  38          HB2       GLU   3 109.056   2.096   2.473
  214   2HB   GLU  38          HB1       GLU   3 108.179   0.811   3.305
  215   1HG   GLU  38          HG2       GLU   3 107.633   2.396   5.137
  216   2HG   GLU  38          HG1       GLU   3 108.457   3.679   4.251
  217    H    CYS  39           HN       CYS   3 111.614   1.436   2.305
  218    HA   CYS  39           HA       CYS   3 111.608  -1.305   1.539
  219   1HB   CYS  39          HB2       CYS   3 114.093  -0.407   0.781
  220   2HB   CYS  39          HB1       CYS   3 112.611  -0.135  -0.139
  221    H    VAL  40           HN       VAL   4 114.087   0.466   3.441
  222    HA   VAL  40           HA       VAL   4 115.561  -1.930   4.052
  223    HB   VAL  40           HB       VAL   4 116.851  -0.563   5.533
  224   1HG1  VAL  40          HG11      VAL   4 115.970   1.458   3.500
  225   2HG1  VAL  40          HG12      VAL   4 116.727  -0.041   2.961
  226   3HG1  VAL  40          HG13      VAL   4 117.603   1.055   4.030
  227   1HG2  VAL  40          HG21      VAL   4 116.055   1.765   6.106
  228   2HG2  VAL  40          HG22      VAL   4 115.120   0.470   6.854
  229   3HG2  VAL  40          HG23      VAL   4 114.484   1.317   5.444
  230    H    ASP  41           HN       ASP   4 113.058  -0.106   5.795
  231    HA   ASP  41           HA       ASP   4 113.212  -1.562   8.238
  232   1HB   ASP  41          HB2       ASP   4 110.845  -0.235   6.886
  233   2HB   ASP  41          HB1       ASP   4 110.818  -0.852   8.538
  234    H    LEU  42           HN       LEU   4 111.169  -2.123   5.354
  235    HA   LEU  42           HA       LEU   4 110.081  -4.594   6.441
  236   1HB   LEU  42          HB2       LEU   4 110.090  -3.543   3.594
  237   2HB   LEU  42          HB1       LEU   4 109.104  -4.877   4.194
  238    HG   LEU  42           HG       LEU   4 108.988  -2.009   5.178
  239   1HD1  LEU  42          HD11      LEU   4 107.866  -1.981   3.127
  240   2HD1  LEU  42          HD12      LEU   4 106.562  -2.385   4.244
  241   3HD1  LEU  42          HD13      LEU   4 107.327  -3.653   3.287
  242   1HD2  LEU  42          HD21      LEU   4 107.790  -4.586   6.114
  243   2HD2  LEU  42          HD22      LEU   4 106.793  -3.134   6.197
  244   3HD2  LEU  42          HD23      LEU   4 108.333  -3.196   7.055
  245    H    CYS  43           HN       CYS   4 112.618  -3.787   4.080
  246    HA   CYS  43           HA       CYS   4 113.182  -6.523   3.376
  247   1HB   CYS  43          HB2       CYS   4 114.930  -4.052   3.193
  248   2HB   CYS  43          HB1       CYS   4 115.272  -5.597   2.414
  249    HG   CYS  43           HG       CYS   4 113.787  -4.880   0.577
  250    H    ASN  44           HN       ASN   4 114.683  -4.271   5.702
  251    HA   ASN  44           HA       ASN   4 116.780  -5.975   6.553
  252   1HB   ASN  44          HB2       ASN   4 115.211  -3.911   8.125
  253   2HB   ASN  44          HB1       ASN   4 116.707  -4.661   8.682
  254   1HD2  ASN  44          HD21      ASN   4 116.553  -1.837   8.237
  255   2HD2  ASN  44          HD22      ASN   4 117.540  -1.448   6.911
  256    H    ASP  45           HN       ASP   4 113.395  -5.777   7.627
  257    HA   ASP  45           HA       ASP   4 113.651  -7.629   9.794
  258   1HB   ASP  45          HB2       ASP   4 111.273  -6.952   8.038
  259   2HB   ASP  45          HB1       ASP   4 111.175  -7.922   9.508
  260    H    ILE  46           HN       ILE   4 112.918  -8.095   6.344
  261    HA   ILE  46           HA       ILE   4 112.444 -10.934   6.580
  262    HB   ILE  46           HB       ILE   4 113.252  -9.288   4.166
  263   1HG1  ILE  46          HG12      ILE   4 110.513 -10.232   5.067
  264   2HG1  ILE  46          HG11      ILE   4 111.127  -8.599   5.325
  265   1HG2  ILE  46          HG21      ILE   4 112.107 -12.080   4.453
  266   2HG2  ILE  46          HG22      ILE   4 113.666 -11.638   3.755
  267   3HG2  ILE  46          HG23      ILE   4 112.172 -11.196   2.928
  268   1HD1  ILE  46          HD11      ILE   4 110.571  -9.974   2.689
  269   2HD1  ILE  46          HD12      ILE   4 111.528  -8.497   2.804
  270   3HD1  ILE  46          HD13      ILE   4 109.840  -8.496   3.314
  271    H    ILE  47           HN       ILE   4 115.258  -9.109   5.309
  272    HA   ILE  47           HA       ILE   4 116.890 -11.418   4.922
  273    HB   ILE  47           HB       ILE   4 117.270  -9.072   4.000
  274   1HG1  ILE  47          HG12      ILE   4 119.696 -10.224   5.395
  275   2HG1  ILE  47          HG11      ILE   4 118.943 -11.019   4.011
  276   1HG2  ILE  47          HG21      ILE   4 118.120  -7.391   5.337
  277   2HG2  ILE  47          HG22      ILE   4 118.851  -8.523   6.476
  278   3HG2  ILE  47          HG23      ILE   4 117.114  -8.228   6.517
  279   1HD1  ILE  47          HD11      ILE   4 120.823  -9.529   3.337
  280   2HD1  ILE  47          HD12      ILE   4 119.948  -8.158   4.018
  281   3HD1  ILE  47          HD13      ILE   4 119.285  -9.029   2.635
  282    H    ARG  48           HN       ARG   4 116.374  -9.362   7.760
  283    HA   ARG  48           HA       ARG   4 118.502 -10.712   9.264
  284   1HB   ARG  48          HB2       ARG   4 116.358  -8.750  10.132
  285   2HB   ARG  48          HB1       ARG   4 117.651  -9.346  11.172
  286   1HG   ARG  48          HG2       ARG   4 119.332  -8.450   9.596
  287   2HG   ARG  48          HG1       ARG   4 118.038  -7.826   8.576
  288   1HD   ARG  48          HD2       ARG   4 117.226  -6.509  10.581
  289   2HD   ARG  48          HD1       ARG   4 118.710  -6.990  11.406
  290    HE   ARG  48           HE       ARG   4 119.606  -5.908   9.020
  291   1HH1  ARG  48          HH21      ARG   4 117.528  -4.921  11.589
  292   2HH1  ARG  48          HH22      ARG   4 117.894  -3.237  11.414
  293   1HH2  ARG  48          HH11      ARG   4 120.093  -3.717   8.776
  294   2HH2  ARG  48          HH12      ARG   4 119.346  -2.556   9.822
  295    H    LEU  11           HT1      LEU   1 126.286  -9.480  -8.369
  296    HA   LEU  11           HA       LEU   1 125.803  -8.329 -10.204
  297   1HB   LEU  11          HB2       LEU   1 123.365  -7.529  -8.585
  298   2HB   LEU  11          HB1       LEU   1 123.468  -7.651 -10.342
  299    HG   LEU  11           HG       LEU   1 123.759  -9.930  -8.363
  300   1HD1  LEU  11          HD11      LEU   1 121.487  -8.742  -9.538
  301   2HD1  LEU  11          HD12      LEU   1 121.559 -10.289  -8.694
  302   3HD1  LEU  11          HD13      LEU   1 121.769 -10.229 -10.444
  303   1HD2  LEU  11          HD21      LEU   1 124.266  -9.687 -11.317
  304   2HD2  LEU  11          HD22      LEU   1 123.673 -11.213 -10.660
  305   3HD2  LEU  11          HD23      LEU   1 125.205 -10.545 -10.095
  306    H    LEU  12           HN       LEU   1 124.157  -6.023  -8.066
  307    HA   LEU  12           HA       LEU   1 125.807  -3.866  -9.278
  308   1HB   LEU  12          HB2       LEU   1 123.112  -4.014  -8.920
  309   2HB   LEU  12          HB1       LEU   1 123.584  -3.188  -7.436
  310    HG   LEU  12           HG       LEU   1 123.118  -1.521  -9.143
  311   1HD1  LEU  12          HD11      LEU   1 125.042  -0.239  -8.867
  312   2HD1  LEU  12          HD12      LEU   1 126.118  -1.616  -9.097
  313   3HD1  LEU  12          HD13      LEU   1 125.232  -1.431  -7.583
  314   1HD2  LEU  12          HD21      LEU   1 123.646  -1.811 -11.321
  315   2HD2  LEU  12          HD22      LEU   1 124.129  -3.451 -10.890
  316   3HD2  LEU  12          HD23      LEU   1 125.331  -2.161 -10.935
  317    H    TYR  13           HN       TYR   1 127.124  -2.556  -8.001
  318    HA   TYR  13           HA       TYR   1 127.764  -3.596  -5.320
  319   1HB   TYR  13          HB2       TYR   1 129.643  -1.993  -5.424
  320   2HB   TYR  13          HB1       TYR   1 129.587  -3.004  -6.868
  321    HD1  TYR  13           HD1      TYR   1 128.823   0.363  -5.510
  322    HD2  TYR  13           HD2      TYR   1 129.078  -2.084  -9.031
  323    HE1  TYR  13           HE1      TYR   1 128.635   2.386  -6.929
  324    HE2  TYR  13           HE2      TYR   1 128.888  -0.060 -10.450
  325    HH   TYR  13           HH       TYR   1 128.070   2.210 -10.312
  326    H    CYS  14           HN       CYS   1 127.722  -2.276  -3.409
  327    HA   CYS  14           HA       CYS   1 125.441  -0.524  -3.209
  328   1HB   CYS  14          HB2       CYS   1 126.948  -1.897  -1.392
  329   2HB   CYS  14          HB1       CYS   1 127.545  -0.254  -1.156
  330    H    SER  15           HN       SER   1 125.346   1.676  -3.441
  331    HA   SER  15           HA       SER   1 127.536   3.108  -4.610
  332   1HB   SER  15          HB2       SER   1 126.140   5.054  -4.405
  333   2HB   SER  15          HB1       SER   1 125.054   3.710  -4.732
  334    HG   SER  15           HG       SER   1 124.609   3.599  -2.524
  335    H    PHE  16           HN       PHE   1 126.520   2.436  -1.347
  336    HA   PHE  16           HA       PHE   1 128.439   4.382  -0.204
  337   1HB   PHE  16          HB2       PHE   1 126.629   2.405   1.215
  338   2HB   PHE  16          HB1       PHE   1 127.476   3.769   1.942
  339    HD1  PHE  16           HD1      PHE   1 126.778   6.097   1.446
  340    HD2  PHE  16           HD2      PHE   1 124.615   2.714  -0.079
  341    HE1  PHE  16           HE1      PHE   1 124.851   7.566   0.916
  342    HE2  PHE  16           HE2      PHE   1 122.687   4.179  -0.612
  343    HZ   PHE  16           HZ       PHE   1 122.807   6.609  -0.111
  344    H    CYS  17           HN       CYS   1 127.729   0.905   0.292
  345    HA   CYS  17           HA       CYS   1 130.309   0.382   1.473
  346   1HB   CYS  17          HB2       CYS   1 128.446  -1.696   0.294
  347   2HB   CYS  17          HB1       CYS   1 129.586  -1.885   1.625
  348    H    GLY  18           HN       GLY   1 129.090   0.221  -1.825
  349   1HA   GLY  18          HA2       GLY   1 130.227  -0.240  -3.830
  350   2HA   GLY  18          HA1       GLY   1 131.692   0.230  -2.966
  351    H    LYS  19           HN       LYS   1 130.079  -2.237  -1.349
  352    HA   LYS  19           HA       LYS   1 132.171  -4.165  -2.051
  353   1HB   LYS  19          HB2       LYS   1 129.760  -4.368  -0.217
  354   2HB   LYS  19          HB1       LYS   1 131.016  -5.595  -0.363
  355   1HG   LYS  19          HG2       LYS   1 132.712  -3.900   0.307
  356   2HG   LYS  19          HG1       LYS   1 131.413  -2.733   0.543
  357   1HD   LYS  19          HD2       LYS   1 130.373  -4.278   2.201
  358   2HD   LYS  19          HD1       LYS   1 131.759  -5.355   2.022
  359   1HE   LYS  19          HE2       LYS   1 133.158  -3.203   2.562
  360   2HE   LYS  19          HE1       LYS   1 131.642  -2.612   3.243
  361   1HZ   LYS  19          HZ1       LYS   1 133.259  -4.934   4.067
  362   2HZ   LYS  19          HZ2       LYS   1 131.600  -4.871   4.428
  363   3HZ   LYS  19          HZ3       LYS   1 132.647  -3.670   5.018
  364    H    SER  20           HN       SER   2 131.696  -6.299  -2.953
  365    HA   SER  20           HA       SER   2 129.870  -6.220  -5.157
  366   1HB   SER  20          HB2       SER   2 130.690  -8.304  -5.705
  367   2HB   SER  20          HB1       SER   2 131.960  -7.805  -4.590
  368    HG   SER  20           HG       SER   2 130.469  -8.790  -2.945
  369    H    GLN  21           HN       GLN   2 128.002  -7.733  -5.432
  370    HA   GLN  21           HA       GLN   2 126.049  -7.350  -3.416
  371   1HB   GLN  21          HB2       GLN   2 125.651  -7.886  -5.864
  372   2HB   GLN  21          HB1       GLN   2 126.026  -9.566  -5.478
  373   1HG   GLN  21          HG2       GLN   2 124.218  -9.517  -3.745
  374   2HG   GLN  21          HG1       GLN   2 123.793  -7.895  -4.294
  375   1HE2  GLN  21          HE21      GLN   2 122.455  -7.728  -6.131
  376   2HE2  GLN  21          HE22      GLN   2 121.987  -9.049  -7.088
  377    H    HIS  22           HN       HIS   2 128.182 -10.128  -4.051
  378    HA   HIS  22           HA       HIS   2 126.977 -11.576  -1.763
  379   1HB   HIS  22          HB2       HIS   2 129.104 -12.392  -3.760
  380   2HB   HIS  22          HB1       HIS   2 128.460 -13.437  -2.493
  381    HD1  HIS  22           HD1      HIS   2 127.568 -11.858  -5.775
  382    HD2  HIS  22           HD2      HIS   2 125.772 -14.320  -2.926
  383    HE1  HIS  22           HE1      HIS   2 125.448 -12.756  -6.835
  384    HE2  HIS  22           HE2      HIS   2 124.348 -14.255  -5.110
  385    H    GLU  23           HN       GLU   2 129.648  -9.519  -2.388
  386    HA   GLU  23           HA       GLU   2 131.596 -10.588  -0.614
  387   1HB   GLU  23          HB2       GLU   2 132.066  -8.742  -2.184
  388   2HB   GLU  23          HB1       GLU   2 131.031  -7.676  -1.238
  389   1HG   GLU  23          HG2       GLU   2 132.510  -8.051   0.735
  390   2HG   GLU  23          HG1       GLU   2 133.567  -9.035  -0.279
  391    H    VAL  24           HN       VAL   2 128.633  -8.835   0.047
  392    HA   VAL  24           HA       VAL   2 129.435  -8.424   2.869
  393    HB   VAL  24           HB       VAL   2 126.693  -7.740   2.380
  394   1HG1  VAL  24          HG11      VAL   2 129.238  -6.156   2.827
  395   2HG1  VAL  24          HG12      VAL   2 128.054  -6.635   4.042
  396   3HG1  VAL  24          HG13      VAL   2 127.630  -5.434   2.822
  397   1HG2  VAL  24          HG21      VAL   2 127.092  -6.047   0.582
  398   2HG2  VAL  24          HG22      VAL   2 127.249  -7.704   0.004
  399   3HG2  VAL  24          HG23      VAL   2 128.691  -6.741   0.326
  400    H    ARG  25           HN       ARG   2 128.344  -9.401   4.615
  401    HA   ARG  25           HA       ARG   2 127.483 -12.097   4.247
  402   1HB   ARG  25          HB2       ARG   2 128.401 -11.207   6.374
  403   2HB   ARG  25          HB1       ARG   2 126.938 -10.246   6.587
  404   1HG   ARG  25          HG2       ARG   2 125.582 -12.311   6.592
  405   2HG   ARG  25          HG1       ARG   2 127.050 -13.271   6.398
  406   1HD   ARG  25          HD2       ARG   2 126.485 -13.247   8.752
  407   2HD   ARG  25          HD1       ARG   2 127.917 -12.243   8.527
  408    HE   ARG  25           HE       ARG   2 125.806 -10.455   8.320
  409   1HH1  ARG  25          HH21      ARG   2 126.868 -12.834  10.578
  410   2HH1  ARG  25          HH22      ARG   2 126.230 -12.003  11.957
  411   1HH2  ARG  25          HH11      ARG   2 124.967  -9.355  10.107
  412   2HH2  ARG  25          HH12      ARG   2 125.152 -10.033  11.691
  413    H    LYS  26           HN       LYS   2 125.631  -9.089   4.734
  414    HA   LYS  26           HA       LYS   2 123.166 -10.618   3.980
  415   1HB   LYS  26          HB2       LYS   2 123.461  -8.163   5.734
  416   2HB   LYS  26          HB1       LYS   2 121.916  -8.843   5.225
  417   1HG   LYS  26          HG2       LYS   2 122.572 -11.010   6.285
  418   2HG   LYS  26          HG1       LYS   2 124.035 -10.231   6.890
  419   1HD   LYS  26          HD2       LYS   2 122.610  -8.550   8.063
  420   2HD   LYS  26          HD1       LYS   2 121.180  -9.439   7.534
  421   1HE   LYS  26          HE2       LYS   2 121.757 -11.349   8.826
  422   2HE   LYS  26          HE1       LYS   2 123.405 -10.774   9.081
  423   1HZ   LYS  26          HZ1       LYS   2 120.912  -9.616  10.196
  424   2HZ   LYS  26          HZ2       LYS   2 122.436  -8.874  10.315
  425   3HZ   LYS  26          HZ3       LYS   2 122.160 -10.379  11.054
  426    H    LEU  27           HN       LEU   2 122.337 -10.039   2.045
  427    HA   LEU  27           HA       LEU   2 122.776  -7.247   1.092
  428   1HB   LEU  27          HB2       LEU   2 124.296  -9.202   0.090
  429   2HB   LEU  27          HB1       LEU   2 122.860  -9.484  -0.891
  430    HG   LEU  27           HG       LEU   2 124.313  -7.950  -2.079
  431   1HD1  LEU  27          HD11      LEU   2 122.750  -6.280  -2.579
  432   2HD1  LEU  27          HD12      LEU   2 122.208  -6.152  -0.908
  433   3HD1  LEU  27          HD13      LEU   2 121.743  -7.548  -1.882
  434   1HD2  LEU  27          HD21      LEU   2 125.033  -7.076   0.459
  435   2HD2  LEU  27          HD22      LEU   2 124.131  -5.714  -0.203
  436   3HD2  LEU  27          HD23      LEU   2 125.536  -6.342  -1.064
  437    H    ILE  28           HN       ILE   2 120.915  -6.353   0.283
  438    HA   ILE  28           HA       ILE   2 118.569  -8.174  -0.045
  439    HB   ILE  28           HB       ILE   2 118.594  -5.149   0.189
  440   1HG1  ILE  28          HG12      ILE   2 117.960  -7.184   2.345
  441   2HG1  ILE  28          HG11      ILE   2 119.508  -6.347   2.220
  442   1HG2  ILE  28          HG21      ILE   2 116.265  -5.288   0.355
  443   2HG2  ILE  28          HG22      ILE   2 116.302  -6.987   0.823
  444   3HG2  ILE  28          HG23      ILE   2 116.622  -6.526  -0.849
  445   1HD1  ILE  28          HD11      ILE   2 118.661  -4.458   3.122
  446   2HD1  ILE  28          HD12      ILE   2 117.251  -5.418   3.566
  447   3HD1  ILE  28          HD13      ILE   2 117.254  -4.500   2.060
  448    H    ALA  29           HN       ALA   2 117.827  -8.502  -2.109
  449    HA   ALA  29           HA       ALA   2 119.073  -6.874  -4.264
  450   1HB   ALA  29          HB1       ALA   2 119.296  -9.331  -4.417
  451   2HB   ALA  29          HB2       ALA   2 118.360  -8.687  -5.765
  452   3HB   ALA  29          HB3       ALA   2 117.540  -9.484  -4.423
  453    H    GLY  30           HN       GLY   3 117.860  -5.606  -5.606
  454   1HA   GLY  30          HA2       GLY   3 114.893  -5.753  -5.362
  455   2HA   GLY  30          HA1       GLY   3 115.712  -4.196  -5.234
  456    HA   PRO  31           HA       PRO   3 114.597  -5.737  -9.759
  457   1HB   PRO  31          HB2       PRO   3 113.178  -3.114  -9.544
  458   2HB   PRO  31          HB1       PRO   3 112.701  -4.587 -10.409
  459   1HG   PRO  31          HG2       PRO   3 111.616  -3.866  -8.056
  460   2HG   PRO  31          HG1       PRO   3 111.809  -5.552  -8.553
  461   1HD   PRO  31          HD2       PRO   3 113.246  -4.068  -6.448
  462   2HD   PRO  31          HD1       PRO   3 113.093  -5.821  -6.694
  463    H    SER  32           HN       SER   3 115.875  -2.923  -8.104
  464    HA   SER  32           HA       SER   3 117.830  -2.547 -10.244
  465   1HB   SER  32          HB2       SER   3 117.075   0.016 -10.252
  466   2HB   SER  32          HB1       SER   3 116.384  -1.156 -11.371
  467    HG   SER  32           HG       SER   3 114.662  -0.207 -10.419
  468    H    VAL  33           HN       VAL   3 117.028  -2.485  -7.042
  469    HA   VAL  33           HA       VAL   3 119.306  -0.639  -6.422
  470    HB   VAL  33           HB       VAL   3 116.747  -1.043  -4.851
  471   1HG1  VAL  33          HG11      VAL   3 119.413  -0.011  -4.126
  472   2HG1  VAL  33          HG12      VAL   3 118.099  -0.561  -3.086
  473   3HG1  VAL  33          HG13      VAL   3 118.084   1.080  -3.733
  474   1HG2  VAL  33          HG21      VAL   3 116.953   0.494  -6.994
  475   2HG2  VAL  33          HG22      VAL   3 117.796   1.574  -5.883
  476   3HG2  VAL  33          HG23      VAL   3 116.133   1.093  -5.553
  477    H    TYR  34           HN       TYR   3 120.901  -1.514  -5.211
  478    HA   TYR  34           HA       TYR   3 120.331  -4.064  -3.750
  479   1HB   TYR  34          HB2       TYR   3 122.834  -3.295  -5.284
  480   2HB   TYR  34          HB1       TYR   3 122.662  -4.747  -4.298
  481    HD1  TYR  34           HD1      TYR   3 121.326  -2.971  -7.284
  482    HD2  TYR  34           HD2      TYR   3 121.500  -6.666  -5.101
  483    HE1  TYR  34           HE1      TYR   3 120.254  -4.146  -9.186
  484    HE2  TYR  34           HE2      TYR   3 120.427  -7.840  -7.002
  485    HH   TYR  34           HH       TYR   3 119.355  -6.058  -9.892
  486    H    ILE  35           HN       ILE   3 120.762  -3.870  -1.590
  487    HA   ILE  35           HA       ILE   3 122.872  -1.959  -0.738
  488    HB   ILE  35           HB       ILE   3 120.496  -0.945  -0.746
  489   1HG1  ILE  35          HG12      ILE   3 121.549  -0.878   2.046
  490   2HG1  ILE  35          HG11      ILE   3 122.627  -0.327   0.764
  491   1HG2  ILE  35          HG21      ILE   3 120.075  -2.274   1.878
  492   2HG2  ILE  35          HG22      ILE   3 119.776  -3.245   0.439
  493   3HG2  ILE  35          HG23      ILE   3 118.896  -1.740   0.681
  494   1HD1  ILE  35          HD11      ILE   3 120.785   1.186  -0.039
  495   2HD1  ILE  35          HD12      ILE   3 121.362   1.584   1.576
  496   3HD1  ILE  35          HD13      ILE   3 119.850   0.710   1.375
  497    H    CYS  36           HN       CYS   3 123.820  -2.516   1.317
  498    HA   CYS  36           HA       CYS   3 123.168  -5.291   2.196
  499   1HB   CYS  36          HB2       CYS   3 125.585  -4.144   3.362
  500   2HB   CYS  36          HB1       CYS   3 125.391  -5.628   2.427
  501    H    ASP  37           HN       ASP   3 124.058  -5.365   4.758
  502    HA   ASP  37           HA       ASP   3 121.966  -3.939   6.164
  503   1HB   ASP  37          HB2       ASP   3 122.853  -6.221   6.769
  504   2HB   ASP  37          HB1       ASP   3 124.301  -5.423   7.383
  505    H    GLU  38           HN       GLU   3 125.497  -3.484   5.951
  506    HA   GLU  38           HA       GLU   3 125.708  -1.574   8.062
  507   1HB   GLU  38          HB2       GLU   3 127.376  -1.911   5.557
  508   2HB   GLU  38          HB1       GLU   3 127.825  -0.892   6.925
  509   1HG   GLU  38          HG2       GLU   3 127.718  -2.876   8.414
  510   2HG   GLU  38          HG1       GLU   3 127.340  -3.884   7.016
  511    H    CYS  39           HN       CYS   3 125.034  -1.113   4.610
  512    HA   CYS  39           HA       CYS   3 125.213   1.728   4.551
  513   1HB   CYS  39          HB2       CYS   3 123.221   1.145   2.745
  514   2HB   CYS  39          HB1       CYS   3 124.949   1.024   2.400
  515    H    VAL  40           HN       VAL   4 122.271  -0.303   4.927
  516    HA   VAL  40           HA       VAL   4 120.588   1.966   5.491
  517    HB   VAL  40           HB       VAL   4 118.879   0.379   6.007
  518   1HG1  VAL  40          HG11      VAL   4 120.571  -1.190   4.080
  519   2HG1  VAL  40          HG12      VAL   4 119.992   0.416   3.636
  520   3HG1  VAL  40          HG13      VAL   4 118.840  -0.862   4.024
  521   1HG2  VAL  40          HG21      VAL   4 119.494  -2.065   6.321
  522   2HG2  VAL  40          HG22      VAL   4 120.007  -1.008   7.636
  523   3HG2  VAL  40          HG23      VAL   4 121.177  -1.554   6.435
  524    H    ASP  41           HN       ASP   4 122.337  -0.336   7.570
  525    HA   ASP  41           HA       ASP   4 121.226   0.527  10.046
  526   1HB   ASP  41          HB2       ASP   4 123.977  -0.570   9.398
  527   2HB   ASP  41          HB1       ASP   4 123.364  -0.351  11.037
  528    H    LEU  42           HN       LEU   4 124.158   1.640   8.327
  529    HA   LEU  42           HA       LEU   4 124.661   3.739  10.281
  530   1HB   LEU  42          HB2       LEU   4 125.758   3.366   7.476
  531   2HB   LEU  42          HB1       LEU   4 126.392   4.480   8.687
  532    HG   LEU  42           HG       LEU   4 126.256   1.462   8.959
  533   1HD1  LEU  42          HD11      LEU   4 128.061   1.851   7.526
  534   2HD1  LEU  42          HD12      LEU   4 128.837   1.932   9.107
  535   3HD1  LEU  42          HD13      LEU   4 128.426   3.417   8.250
  536   1HD2  LEU  42          HD21      LEU   4 126.905   3.699  10.836
  537   2HD2  LEU  42          HD22      LEU   4 127.864   2.224  10.950
  538   3HD2  LEU  42          HD23      LEU   4 126.115   2.157  11.164
  539    H    CYS  43           HN       CYS   4 123.219   3.596   7.032
  540    HA   CYS  43           HA       CYS   4 122.830   6.443   6.811
  541   1HB   CYS  43          HB2       CYS   4 121.390   4.157   5.436
  542   2HB   CYS  43          HB1       CYS   4 121.288   5.852   4.963
  543    HG   CYS  43           HG       CYS   4 123.383   5.525   3.699
  544    H    ASN  44           HN       ASN   4 120.680   3.782   7.844
  545    HA   ASN  44           HA       ASN   4 118.346   5.347   8.216
  546   1HB   ASN  44          HB2       ASN   4 119.302   2.910   9.745
  547   2HB   ASN  44          HB1       ASN   4 117.676   3.582   9.860
  548   1HD2  ASN  44          HD21      ASN   4 118.108   0.929   8.873
  549   2HD2  ASN  44          HD22      ASN   4 117.702   0.898   7.225
  550    H    ASP  45           HN       ASP   4 121.094   4.763  10.394
  551    HA   ASP  45           HA       ASP   4 119.970   6.079  12.673
  552   1HB   ASP  45          HB2       ASP   4 122.855   5.720  11.814
  553   2HB   ASP  45          HB1       ASP   4 122.360   6.323  13.396
  554    H    ILE  46           HN       ILE   4 121.930   7.291   9.960
  555    HA   ILE  46           HA       ILE   4 122.138   9.978  10.987
  556    HB   ILE  46           HB       ILE   4 122.354   8.963   8.138
  557   1HG1  ILE  46          HG12      ILE   4 124.521   9.551  10.179
  558   2HG1  ILE  46          HG11      ILE   4 123.927   7.932   9.810
  559   1HG2  ILE  46          HG21      ILE   4 123.187  11.561   9.459
  560   2HG2  ILE  46          HG22      ILE   4 122.019  11.362   8.153
  561   3HG2  ILE  46          HG23      ILE   4 123.731  11.054   7.860
  562   1HD1  ILE  46          HD11      ILE   4 125.361   9.846   7.959
  563   2HD1  ILE  46          HD12      ILE   4 124.492   8.429   7.368
  564   3HD1  ILE  46          HD13      ILE   4 125.869   8.231   8.452
  565    H    ILE  47           HN       ILE   4 120.076   8.611   8.387
  566    HA   ILE  47           HA       ILE   4 118.596  11.018   7.966
  567    HB   ILE  47           HB       ILE   4 118.703   8.968   6.451
  568   1HG1  ILE  47          HG12      ILE   4 115.884   9.887   7.058
  569   2HG1  ILE  47          HG11      ILE   4 117.067  10.937   6.279
  570   1HG2  ILE  47          HG21      ILE   4 117.477   7.070   6.939
  571   2HG2  ILE  47          HG22      ILE   4 116.328   7.945   7.951
  572   3HG2  ILE  47          HG23      ILE   4 117.932   7.559   8.570
  573   1HD1  ILE  47          HD11      ILE   4 115.643   9.734   4.631
  574   2HD1  ILE  47          HD12      ILE   4 116.254   8.203   5.256
  575   3HD1  ILE  47          HD13      ILE   4 117.351   9.331   4.461
  576    H    ARG  48           HN       ARG   4 118.178   8.391  10.285
  577    HA   ARG  48           HA       ARG   4 115.553   9.438  11.129
  578   1HB   ARG  48          HB2       ARG   4 117.281   7.201  12.233
  579   2HB   ARG  48          HB1       ARG   4 115.672   7.609  12.827
  580   1HG   ARG  48          HG2       ARG   4 114.735   7.191  10.577
  581   2HG   ARG  48          HG1       ARG   4 116.340   6.756   9.993
  582   1HD   ARG  48          HD2       ARG   4 116.403   4.975  11.796
  583   2HD   ARG  48          HD1       ARG   4 114.700   5.322  12.095
  584    HE   ARG  48           HE       ARG   4 114.806   4.857   9.367
  585   1HH1  ARG  48          HH21      ARG   4 115.825   3.220  12.226
  586   2HH1  ARG  48          HH22      ARG   4 115.626   1.637  11.550
  587   1HH2  ARG  48          HH11      ARG   4 114.543   2.800   8.468
  588   2HH2  ARG  48          HH12      ARG   4 114.900   1.400   9.423